Magnetic Space Groups Compiled by Harold T. Stokes and Branton J. Campbell Brigham Young University, Provo, Utah, USA June 2010 Table 2. Listed in order of OG number OG: Setting of W. Opechowski and R. Guccione BNS: Setting of N. V. Belov, N. N. Neronova and T. S. Smirnova This data is based on data from: Daniel Litvin,"Magnetic Space Group Types," Acta Crystallographica (2001) A57 729-730. (http://www.bk.psu.edu/faculty/litvin/Download.html) C. J. Bradley and A. P. Cracknell, The Mathematical Theory of Symmetry in Solids" (Clarendon Press, Oxford, 1972). ---------- Definition of point operator symbols (from Litvin) Non-hexagonal groups: 1 x,y,z 4x x,-z,y 4x-1 x,z,-y 4y z,y,-x 4y-1 -z,y,x 4z -y,x,z 4z-1 y,-x,z 2x x,-y,-z 2y -x,y,-z 2z -x,-y,z 2xy y,x,-z 2-xy -y,-x,-z 2yz -x,z,y 2-yz -x,-z,-y 2xz z,-y,x 2-xz -z,-y,-x 3xyz z,x,y 3xyz-1 y,z,x 3-xyz -y,z,-x 3-xyz-1 -z,-x,y 3x-yz -y,-z,x 3x-yz-1 z,-x,-y 3xy-z y,-z,-x 3xy-z-1 -z,x,-y -1 -x,-y,-z -4x -x,z,-y -4x-1 -x,-z,y -4y -z,-y,x -4y-1 z,-y,-x -4z y,-x,-z -4z-1 -y,x,-z mx -x,y,z my x,-y,z mz x,y,-z mxy -y,-x,z m-xy y,x,z myz x,-z,-y m-yz x,z,y mxz -z,y,-x m-xz z,y,x -3xyz -z,-x,-y -3xyz-1 -y,-z,-x -3-xyz y,-z,x -3-xyz-1 z,x,-y -3x-yz y,z,-x -3x-yz-1 -z,x,y -3xy-z -y,z,x -3xy-z-1 z,-x,y Hexagonal groups: 1 x,y,z 6z x-y,x,z 3z -y,x-y,z 2z -x,-y,z 3z-1 -x+y,-x,z 6z-1 y,-x+y,z 2x x-y,-y,-z 2xy y,x,-z 2y -x,-x+y,-z 21 x,x-y,-z 22 -x+y,y,-z 23 -y,-x,-z -1 -x,-y,-z -6z -x+y,-x,-z -3z y,-x+y,-z mz x,y,-z -3z-1 x-y,x,-z -6z-1 -y,x-y,-z mx -x+y,y,z mxy -y,-x,z my x,x-y,z m1 -x,-x+y,z m2 x-y,-y,z m3 y,x,z ---------- Magnetic Space Groups ---------- OG: 1.1.1 P1 UNI: 1.1 P1.1 BNS: 1.1 P1 Operators: (1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 1a (x,y,z;mx,my,mz) ---------- OG: 1.2.2 P11' UNI: 1.2 P1.1' BNS: 1.2 P11' Operators: (1|0,0,0) (1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 1a (x,y,z;0,0,0) ---------- OG: 1.3.3 P_2s1 UNI: 1.3 P1.1'_c[P1] BNS: 1.3 P_S1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 2a (x,y,z;mx,my,mz) (x,y,z+1;-mx,-my,-mz) Operators (BNS): (1|0,0,0) (1|0,0,1/2)' Wyckoff positions (BNS): 2a (x,y,z;mx,my,mz) (x,y,z+1/2;-mx,-my,-mz) ---------- OG: 2.1.4 P-1 UNI: 2.4 P-1.1 BNS: 2.4 P-1 Operators: (1|0,0,0) (-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) 1h (1/2,1/2,1/2;mx,my,mz) 1g (0,1/2,1/2;mx,my,mz) 1f (1/2,0,1/2;mx,my,mz) 1e (1/2,1/2,0;mx,my,mz) 1d (1/2,0,0;mx,my,mz) 1c (0,1/2,0;mx,my,mz) 1b (0,0,1/2;mx,my,mz) 1a (0,0,0;mx,my,mz) ---------- OG: 2.2.5 P-11' UNI: 2.5 P-1.1' BNS: 2.5 P-11' Operators: (1|0,0,0) (-1|0,0,0) (1|0,0,0)' (-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2i (x,y,z;0,0,0) (-x,-y,-z;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 2.3.6 P-1' UNI: 2.6 P-1' BNS: 2.6 P-1' Operators: (1|0,0,0) (-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2i (x,y,z;mx,my,mz) (-x,-y,-z;-mx,-my,-mz) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 2.4.7 P_2s-1 UNI: 2.7 P-1.1'_c[P-1] BNS: 2.7 P_S-1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (-1|0,0,0) (1|0,0,1)' (-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 4i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,-z+1;-mx,-my,-mz) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2f (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2e (1/2,1/2,0;mx,my,mz) (1/2,1/2,1;-mx,-my,-mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1;-mx,-my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1;-mx,-my,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;mx,my,mz) (0,0,1;-mx,-my,-mz) Operators (BNS): (1|0,0,0) (-1|0,0,0) (1|0,0,1/2)' (-1|0,0,1/2)' Wyckoff positions (BNS): 4i (x,y,z;mx,my,mz) (-x,-y,-z;mx,my,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,-my,-mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,-my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,-my,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;mx,my,mz) (0,0,1/2;-mx,-my,-mz) ---------- OG: 3.1.8 P2 UNI: 3.1 P2.1 BNS: 3.1 P2 Operators: (1|0,0,0) (2y|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) 1d (1/2,y,1/2;0,my,0) 1c (1/2,y,0;0,my,0) 1b (0,y,1/2;0,my,0) 1a (0,y,0;0,my,0) ---------- OG: 3.2.9 P21' UNI: 3.2 P2.1' BNS: 3.2 P21' Operators: (1|0,0,0) (2y|0,0,0) (1|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2e (x,y,z;0,0,0) (-x,y,-z;0,0,0) 1d (1/2,y,1/2;0,0,0) 1c (1/2,y,0;0,0,0) 1b (0,y,1/2;0,0,0) 1a (0,y,0;0,0,0) ---------- OG: 3.3.10 P2' UNI: 3.3 P2' BNS: 3.3 P2' Operators: (1|0,0,0) (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2e (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) 1d (1/2,y,1/2;mx,0,mz) 1c (1/2,y,0;mx,0,mz) 1b (0,y,1/2;mx,0,mz) 1a (0,y,0;mx,0,mz) ---------- OG: 3.4.11 P_2a2 UNI: 3.4 P2.1'_a[P2] BNS: 3.4 P_a2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|1,0,0)' (2y|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) 2b (0,y,1/2;0,my,0) (1,y,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1,y,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,0,0)' (2y|1/2,0,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) 2d (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) 2c (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) 2b (0,y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y,0;0,-my,0) ---------- OG: 3.5.12 P_2b2 UNI: 3.5 P2.1'_b[P2] BNS: 3.5 P_b2 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,1,0)' (2y|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) 2d (1/2,y,1/2;0,my,0) (1/2,y+1,1/2;0,-my,0) 2c (1/2,y,0;0,my,0) (1/2,y+1,0;0,-my,0) 2b (0,y,1/2;0,my,0) (0,y+1,1/2;0,-my,0) 2a (0,y,0;0,my,0) (0,y+1,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|0,1/2,0)' (2y|0,1/2,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) 2d (1/2,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2c (1/2,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) 2b (0,y,1/2;0,my,0) (0,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (0,y+1/2,0;0,-my,0) ---------- OG: 3.6.13 P_C2 UNI: 5.17 C2.1'_a[P2] BNS: 5.17 C_a2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,1,0)' (2y|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) 4d (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) 4c (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) 4b (0,y,1/2;0,my,0) (0,y+1,1/2;0,-my,0) 4a (0,y,0;0,my,0) (0,y+1,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,0,0)' (2y|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8e (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) 4d (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) 4c (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) 4b (0,y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (1/2,y,0;0,-my,0) ---------- OG: 3.7.14 P_2b2' UNI: 4.11 P2_1.1'_b[P2] BNS: 4.11 P_b2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,1,0) (1|0,1,0)' (2y|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (-1/2,y+1,-1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (-1/2,y+1,0;-mx,0,-mz) 2b (0,y,1/2;mx,0,mz) (0,y+1,-1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (0,y+1,0;-mx,0,-mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|0,1/2,0)' (2y|0,0,0)' Wyckoff positions (BNS): 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2d (1/2,y,1/2;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) 2c (1/2,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) 2b (0,y,1/2;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (0,y+1/2,0;-mx,0,-mz) ---------- OG: 4.1.15 P2_1 UNI: 4.7 P2_1.1 BNS: 4.7 P2_1 Operators: (1|0,0,0) (2y|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) ---------- OG: 4.2.16 P2_11' UNI: 4.8 P2_1.1' BNS: 4.8 P2_11' Operators: (1|0,0,0) (2y|0,1/2,0) (1|0,0,0)' (2y|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;0,0,0) (-x,y+1/2,-z;0,0,0) ---------- OG: 4.3.17 P2_1' UNI: 4.9 P2_1' BNS: 4.9 P2_1' Operators: (1|0,0,0) (2y|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) ---------- OG: 4.4.18 P_2a2_1 UNI: 4.10 P2_1.1'_a[P2_1] BNS: 4.10 P_a2_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (1|1,0,0)' (2y|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|1/2,0,0)' (2y|1/2,1/2,0)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) ---------- OG: 5.1.19 C2 UNI: 5.13 C2.1 BNS: 5.13 C2 Operators: (1|0,0,0) (2y|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) 2b (0,y,1/2;0,my,0) 2a (0,y,0;0,my,0) ---------- OG: 5.2.20 C21' UNI: 5.14 C2.1' BNS: 5.14 C21' Operators: (1|0,0,0) (2y|0,0,0) (1|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4c (x,y,z;0,0,0) (-x,y,-z;0,0,0) 2b (0,y,1/2;0,0,0) 2a (0,y,0;0,0,0) ---------- OG: 5.3.21 C2' UNI: 5.15 C2' BNS: 5.15 C2' Operators: (1|0,0,0) (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (1,1,0)+ (0,0,-2)+ (1/2,3/2,0)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) 2b (0,y,1/2;mx,0,mz) 2a (0,y,0;mx,0,mz) ---------- OG: 5.4.22 C_2c2 UNI: 5.16 C2.1'_c[C2] BNS: 5.16 C_c2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|0,0,1)' (2y|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) 4b (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) 4a (0,y,0;0,my,0) (0,y,1;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|0,0,1/2)' (2y|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) 4b (0,y,1/4;mx,0,mz) (0,y,3/4;-mx,0,-mz) 4a (0,y,0;0,my,0) (0,y,1/2;0,-my,0) ---------- OG: 5.5.23 C_P2 UNI: 3.6 P2.1'_C[C2] BNS: 3.6 P_C2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) 2b (0,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) 2b (0,y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 2a (0,y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) ---------- OG: 5.6.24 C_P2' UNI: 4.12 P2_1.1'_C[C2] BNS: 4.12 P_C2_1 OG-BNS transformation: (1/4,0,0;a,b,c) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) 2b (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) 2a (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (1|1/2,1/2,0)' (2y|1/2,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) 2b (3/4,y,1/2;mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) 2a (3/4,y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,-mz) ---------- OG: 6.1.25 Pm UNI: 6.18 Pm.1 BNS: 6.18 Pm Operators: (1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) 1b (x,1/2,z;0,my,0) 1a (x,0,z;0,my,0) ---------- OG: 6.2.26 Pm1' UNI: 6.19 Pm.1' BNS: 6.19 Pm1' Operators: (1|0,0,0) (my|0,0,0) (1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2c (x,y,z;0,0,0) (x,-y,z;0,0,0) 1b (x,1/2,z;0,0,0) 1a (x,0,z;0,0,0) ---------- OG: 6.3.27 Pm' UNI: 6.20 Pm' BNS: 6.20 Pm' Operators: (1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2c (x,y,z;mx,my,mz) (x,-y,z;mx,-my,mz) 1b (x,1/2,z;mx,0,mz) 1a (x,0,z;mx,0,mz) ---------- OG: 6.4.28 P_2am UNI: 6.21 Pm.1'_a[Pm] BNS: 6.21 P_am OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (my|0,0,0) (1|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,z;mx,-my,mz) 2b (x,1/2,z;0,my,0) (x+1,1/2,z;0,-my,0) 2a (x,0,z;0,my,0) (x+1,0,z;0,-my,0) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 2b (x,1/2,z;0,my,0) (x+1/2,1/2,z;0,-my,0) 2a (x,0,z;0,my,0) (x+1/2,0,z;0,-my,0) ---------- OG: 6.5.29 P_2bm UNI: 6.22 Pm.1'_b[Pm] BNS: 6.22 P_bm OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 2a (x,0,z;0,my,0) (x,1,z;0,-my,0) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2b (x,1/4,z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 2a (x,0,z;0,my,0) (x,1/2,z;0,-my,0) ---------- OG: 6.6.30 P_Cm UNI: 8.36 Cm.1'_a[Pm] BNS: 8.36 C_am OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4b (x,1/2,z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4a (x,0,z;0,my,0) (x,1,z;0,-my,0) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4b (x,1/4,z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 4a (x,0,z;0,my,0) (x+1/2,0,z;0,-my,0) ---------- OG: 6.7.31 P_2cm' UNI: 7.28 Pc.1'_c[Pm] BNS: 7.28 P_cc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (my|0,0,1) (1|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 4c (x,y,z;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,-1/2,z+1;-mx,0,-mz) 2a (x,0,z;mx,0,mz) (x,0,z+1;-mx,0,-mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 4c (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2b (x,1/2,z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 2a (x,0,z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) ---------- OG: 7.1.32 Pc UNI: 7.24 Pc.1 BNS: 7.24 Pc Operators: (1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) ---------- OG: 7.2.33 Pc1' UNI: 7.25 Pc.1' BNS: 7.25 Pc1' Operators: (1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) ---------- OG: 7.3.34 Pc' UNI: 7.26 Pc' BNS: 7.26 Pc' Operators: (1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 2a (x,y,z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) ---------- OG: 7.4.35 P_2ac UNI: 7.27 Pc.1'_a[Pc] BNS: 7.27 P_ac OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,z+1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) ---------- OG: 7.5.36 P_2bc UNI: 7.29 Pc.1'_b[Pc] BNS: 7.29 P_bc OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) ---------- OG: 7.6.37 P_Cc UNI: 9.41 Cc.1'_a[Pc] BNS: 9.41 C_ac OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 8a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) ---------- OG: 8.1.38 Cm UNI: 8.32 Cm.1 BNS: 8.32 Cm Operators: (1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) 2a (x,0,z;0,my,0) ---------- OG: 8.2.39 Cm1' UNI: 8.33 Cm.1' BNS: 8.33 Cm1' Operators: (1|0,0,0) (my|0,0,0) (1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4b (x,y,z;0,0,0) (x,-y,z;0,0,0) 2a (x,0,z;0,0,0) ---------- OG: 8.3.40 Cm' UNI: 8.34 Cm' BNS: 8.34 Cm' Operators: (1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (1,1,0)+ (0,0,-2)+ (1/2,3/2,0)+ 4b (x,y,z;mx,my,mz) (x,-y,z;mx,-my,mz) 2a (x,0,z;mx,0,mz) ---------- OG: 8.4.41 C_2cm UNI: 8.35 Cm.1'_c[Cm] BNS: 8.35 C_cm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (my|0,0,0) (1|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z+1;mx,-my,mz) 4a (x,0,z;0,my,0) (x,0,z+1;0,-my,0) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4a (x,0,z;0,my,0) (x,0,z+1/2;0,-my,0) ---------- OG: 8.5.42 C_Pm UNI: 6.23 Pm.1'_C[Cm] BNS: 6.23 P_Cm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2a (x,0,z;0,my,0) (x+1/2,1/2,z;0,-my,0) Operators (BNS): (1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 4b (x,y,z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2a (x,0,z;0,my,0) (x+1/2,1/2,z;0,-my,0) ---------- OG: 8.6.43 C_2cm' UNI: 9.40 Cc.1'_c[Cm] BNS: 9.40 C_cc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (my|0,0,1) (1|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4a (x,0,z;mx,0,mz) (x,0,z+1;-mx,0,-mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4a (x,0,z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) ---------- OG: 8.7.44 C_Pm' UNI: 7.31 Pc.1'_A[Am] BNS: 7.31 P_Ac OG-BNS transformation: (0,1/4,0;c,-b,a) Operators (OG): (1|0,0,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4b (x,y,z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2a (x,0,z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 4b (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2a (x,1/4,z;mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) ---------- OG: 9.1.45 Cc UNI: 9.37 Cc.1 BNS: 9.37 Cc Operators: (1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) ---------- OG: 9.2.46 Cc1' UNI: 9.38 Cc.1' BNS: 9.38 Cc1' Operators: (1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 4a (x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) ---------- OG: 9.3.47 Cc' UNI: 9.39 Cc' BNS: 9.39 Cc' Operators: (1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (1,1,0)+ (0,0,-2)+ (1/2,3/2,0)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) ---------- OG: 9.4.48 C_Pc UNI: 7.30 Pc.1'_C[Cc] BNS: 7.30 P_Cc OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 4a (x,y,z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) ---------- OG: 10.1.49 P2/m UNI: 10.42 P2/m.1 BNS: 10.42 P2/m Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) 2n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) 2m (x,0,z;0,my,0) (-x,0,-z;0,my,0) 2l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) 2k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) 2j (1/2,y,0;0,my,0) (1/2,-y,0;0,my,0) 2i (0,y,0;0,my,0) (0,-y,0;0,my,0) 1h (1/2,1/2,1/2;0,my,0) 1g (1/2,0,1/2;0,my,0) 1f (0,1/2,1/2;0,my,0) 1e (1/2,1/2,0;0,my,0) 1d (1/2,0,0;0,my,0) 1c (0,0,1/2;0,my,0) 1b (0,1/2,0;0,my,0) 1a (0,0,0;0,my,0) ---------- OG: 10.2.50 P2/m1' UNI: 10.43 P2/m.1' BNS: 10.43 P2/m1' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4o (x,y,z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z;0,0,0) 2n (x,1/2,z;0,0,0) (-x,1/2,-z;0,0,0) 2m (x,0,z;0,0,0) (-x,0,-z;0,0,0) 2l (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2k (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2j (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2i (0,y,0;0,0,0) (0,-y,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 10.3.51 P2'/m UNI: 10.44 P2'/m BNS: 10.44 P2'/m Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4o (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;-mx,my,-mz) 2n (x,1/2,z;0,my,0) (-x,1/2,-z;0,-my,0) 2m (x,0,z;0,my,0) (-x,0,-z;0,-my,0) 2l (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 2k (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 2j (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 2i (0,y,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 10.4.52 P2/m' UNI: 10.45 P2/m' BNS: 10.45 P2/m' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 2n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) 2m (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) 2l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2k (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2j (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2i (0,y,0;0,my,0) (0,-y,0;0,-my,0) 1h (1/2,1/2,1/2;0,0,0) 1g (1/2,0,1/2;0,0,0) 1f (0,1/2,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (1/2,0,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (0,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 10.5.53 P2'/m' UNI: 10.46 P2'/m' BNS: 10.46 P2'/m' Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4o (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z;mx,-my,mz) 2n (x,1/2,z;mx,0,mz) (-x,1/2,-z;mx,0,mz) 2m (x,0,z;mx,0,mz) (-x,0,-z;mx,0,mz) 2l (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,mz) 2k (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,mz) 2j (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,mz) 2i (0,y,0;mx,0,mz) (0,-y,0;mx,0,mz) 1h (1/2,1/2,1/2;mx,0,mz) 1g (1/2,0,1/2;mx,0,mz) 1f (0,1/2,1/2;mx,0,mz) 1e (1/2,1/2,0;mx,0,mz) 1d (1/2,0,0;mx,0,mz) 1c (0,0,1/2;mx,0,mz) 1b (0,1/2,0;mx,0,mz) 1a (0,0,0;mx,0,mz) ---------- OG: 10.6.54 P_2a2/m UNI: 10.47 P2/m.1'_a[P2/m] BNS: 10.47 P_a2/m OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1,0,0)' (2y|1,0,0)' (-1|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y,z;mx,-my,mz) 4n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) (x+1,1/2,z;0,-my,0) (-x+1,1/2,-z;0,-my,0) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1,0,z;0,-my,0) (-x+1,0,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,-my,0) 4j (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1,y,0;0,-my,0) (1,-y,0;0,-my,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2g (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2f (0,1/2,1/2;0,my,0) (1,1/2,1/2;0,-my,0) 2e (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 2c (0,0,1/2;0,my,0) (1,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1,0,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2y|1/2,0,0)' (-1|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4n (x,1/2,z;0,my,0) (-x,1/2,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,-z;0,-my,0) 4l (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,-my,0) 4j (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;mx,0,mz) (1/4,-y,0;-mx,0,-mz) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,-my,0) 2h (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 2g (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 2f (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2e (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) 2d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) ---------- OG: 10.7.55 P_2b2/m UNI: 10.48 P2/m.1'_b[P2/m] BNS: 10.48 P_b2/m OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1,0)' (2y|0,1,0)' (-1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) 4l (1/2,y,1/2;0,my,0) (-1/2,-y,-1/2;0,my,0) (1/2,y+1,1/2;0,-my,0) (-1/2,-y+1,-1/2;0,-my,0) 4k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (0,y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,-my,0) 4j (1/2,y,0;0,my,0) (-1/2,-y,0;0,my,0) (1/2,y+1,0;0,-my,0) (-1/2,-y+1,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1,0;0,-my,0) (0,-y+1,0;0,-my,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (1/2,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) 2f (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2e (1/2,1/2,0;0,0,0) (-1/2,-1/2,0;0,0,0) 2d (1/2,0,0;0,my,0) (1/2,1,0;0,-my,0) 2c (0,0,1/2;0,my,0) (0,1,1/2;0,-my,0) 2b (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 2a (0,0,0;0,my,0) (0,1,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1/2,0)' (2y|0,1/2,0)' (-1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4n (x,1/4,z;mx,0,mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1/2,z;0,-my,0) (-x,1/2,-z;0,-my,0) 4l (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,-my,0) 4k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (0,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,-my,0) 4j (1/2,y,0;0,my,0) (1/2,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1/2,0;0,-my,0) (0,-y+1/2,0;0,-my,0) 2h (1/2,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) 2g (1/2,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2f (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 2e (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) 2d (1/2,0,0;0,my,0) (1/2,1/2,0;0,-my,0) 2c (0,0,1/2;0,my,0) (0,1/2,1/2;0,-my,0) 2b (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 2a (0,0,0;0,my,0) (0,1/2,0;0,-my,0) ---------- OG: 10.8.56 P_C2/m UNI: 12.64 C2/m.1'_a[P2/m] BNS: 12.64 C_a2/m OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,1,0)' (2y|0,1,0)' (-1|0,1,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 8n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 8m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,1,z;0,-my,0) (-x,1,-z;0,-my,0) 8l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 8k (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (0,y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,-my,0) 8j (1/2,y,0;mx,0,mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 8i (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y+1,0;0,-my,0) (0,-y+1,0;0,-my,0) 4h (1/2,1/2,1/2;mx,0,mz) (-1/2,1/2,-1/2;-mx,0,-mz) 4g (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4f (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 4e (1/2,1/2,0;mx,0,mz) (-1/2,1/2,0;-mx,0,-mz) 4d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 4c (0,0,1/2;0,my,0) (0,1,1/2;0,-my,0) 4b (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 4a (0,0,0;0,my,0) (0,1,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2y|0,1/2,0)' (-1|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 8n (x,1/4,z;mx,0,mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z;-mx,0,-mz) 8m (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,0,z;0,-my,0) (-x,1/2,-z;0,-my,0) 8l (1/4,y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) 8k (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,-y+1/2,1/2;0,-my,0) 8j (1/4,y,0;mx,0,mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;mx,0,mz) (1/4,-y,0;-mx,0,-mz) 8i (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,-y+1/2,0;0,-my,0) 4h (1/4,1/4,1/2;mx,0,mz) (3/4,1/4,1/2;-mx,0,-mz) 4g (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4f (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4e (1/4,1/4,0;mx,0,mz) (3/4,1/4,0;-mx,0,-mz) 4d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 4b (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) ---------- OG: 10.9.57 P_2b2'/m UNI: 11.56 P2_1/m.1'_b[P2/m] BNS: 11.56 P_b2_1/m OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,1,0) (-1|0,1,0) (my|0,0,0) (1|0,1,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (-x,y+1,-z;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,3/2,-z;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x,-1/2,z;-mx,0,-mz) 4m (x,0,z;0,my,0) (-x,1,-z;0,my,0) (x,1,z;0,-my,0) (-x,0,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y+1,-1/2;-mx,0,-mz) (-1/2,-y+1,-1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y+1,-1/2;-mx,0,-mz) (0,-y+1,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4j (1/2,y,0;mx,0,mz) (-1/2,y+1,0;-mx,0,-mz) (-1/2,-y+1,0;mx,0,mz) (1/2,-y,0;-mx,0,-mz) 4i (0,y,0;mx,0,mz) (0,y+1,0;-mx,0,-mz) (0,-y+1,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 2h (1/2,1/2,1/2;mx,0,mz) (-1/2,3/2,-1/2;-mx,0,-mz) 2g (1/2,0,1/2;0,0,0) (-1/2,1,-1/2;0,0,0) 2f (0,1/2,1/2;mx,0,mz) (0,3/2,-1/2;-mx,0,-mz) 2e (1/2,1/2,0;mx,0,mz) (-1/2,3/2,0;-mx,0,-mz) 2d (1/2,0,0;0,0,0) (-1/2,1,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1,-1/2;0,0,0) 2b (0,1/2,0;mx,0,mz) (0,3/2,0;-mx,0,-mz) 2a (0,0,0;0,0,0) (0,1,0;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|0,1/2,0)' (2y|0,0,0)' (-1|0,1/2,0)' (my|0,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,0,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,z;-mx,0,-mz) 4m (x,3/4,z;0,my,0) (-x,1/4,-z;0,my,0) (x,1/4,z;0,-my,0) (-x,3/4,-z;0,-my,0) 4l (1/2,y,1/2;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,1/2;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) 4j (1/2,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y+1/2,0;-mx,0,-mz) 4i (0,y,0;mx,0,mz) (0,y+1/2,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y+1/2,0;-mx,0,-mz) 2h (1/2,0,1/2;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2g (1/2,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 2f (0,0,1/2;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 2e (1/2,0,0;mx,0,mz) (1/2,1/2,0;-mx,0,-mz) 2d (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 2c (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 2b (0,0,0;mx,0,mz) (0,1/2,0;-mx,0,-mz) 2a (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) ---------- OG: 10.10.58 P_2c2/m' UNI: 13.72 P2/c.1'_c[P2/m] BNS: 13.72 P_c2/c OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,1) (my|0,0,1) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8o (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,-z+1;mx,0,mz) (x,-1/2,z+1;-mx,0,-mz) 4m (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x,0,-z+1;mx,0,mz) (x,0,z+1;-mx,0,-mz) 4l (1/2,y,1/2;mx,0,mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;mx,0,mz) (1/2,-y,3/2;-mx,0,-mz) 4k (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y,3/2;-mx,0,-mz) 4j (1/2,y,0;0,my,0) (-1/2,-y,1;0,my,0) (1/2,y,1;0,-my,0) (-1/2,-y,0;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,1;0,my,0) (0,y,1;0,-my,0) (0,-y,0;0,-my,0) 2h (1/2,1/2,1/2;mx,0,mz) (-1/2,1/2,-1/2;-mx,0,-mz) 2g (1/2,0,1/2;mx,0,mz) (-1/2,0,-1/2;-mx,0,-mz) 2f (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) 2e (1/2,1/2,0;0,0,0) (-1/2,-1/2,1;0,0,0) 2d (1/2,0,0;0,0,0) (-1/2,0,1;0,0,0) 2c (0,0,1/2;mx,0,mz) (0,0,-1/2;-mx,0,-mz) 2b (0,1/2,0;0,0,0) (0,-1/2,1;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2y|0,0,0)' (-1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8o (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4n (x,1/2,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 4m (x,0,z;mx,0,mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) 4l (1/2,y,0;mx,0,mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 4k (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4j (1/2,y,3/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) 4i (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) 2h (1/2,1/2,0;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2g (1/2,0,0;mx,0,mz) (1/2,0,1/2;-mx,0,-mz) 2f (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 2e (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 2d (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 2b (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 11.1.59 P2_1/m UNI: 11.50 P2_1/m.1 BNS: 11.50 P2_1/m Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) 2e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) ---------- OG: 11.2.60 P2_1/m1' UNI: 11.51 P2_1/m.1' BNS: 11.51 P2_1/m1' Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|0,0,0)' (2y|0,1/2,0)' (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4f (x,y,z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y+1/2,z;0,0,0) 2e (x,1/4,z;0,0,0) (-x,3/4,-z;0,0,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 11.3.61 P2_1'/m UNI: 11.52 P2_1'/m BNS: 11.52 P2_1'/m Operators: (1|0,0,0) (2y|0,1/2,0)' (-1|0,0,0)' (my|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) 2e (x,1/4,z;0,my,0) (-x,3/4,-z;0,-my,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 11.4.62 P2_1/m' UNI: 11.53 P2_1/m' BNS: 11.53 P2_1/m' Operators: (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 2e (x,1/4,z;mx,0,mz) (-x,3/4,-z;-mx,0,-mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 11.5.63 P2_1'/m' UNI: 11.54 P2_1'/m' BNS: 11.54 P2_1'/m' Operators: (1|0,0,0) (2y|0,1/2,0)' (-1|0,0,0) (my|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4f (x,y,z;mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 2e (x,1/4,z;mx,0,mz) (-x,3/4,-z;mx,0,mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,mz) ---------- OG: 11.6.64 P_2a2_1/m UNI: 11.55 P2_1/m.1'_a[P2_1/m] BNS: 11.55 P_a2_1/m OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1,0,0)' (2y|1,1/2,0)' (-1|1,0,0)' (my|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x+1,1/4,z;0,-my,0) (-x+1,3/4,-z;0,-my,0) 4d (1/2,0,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,-1/2;-mx,my,-mz) (1,0,1/2;-mx,-my,-mz) (1,1/2,-1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,1/2,0;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1/2,0,0)' (2y|1/2,1/2,0)' (-1|1/2,0,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,-z;0,-my,0) 4d (1/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4b (1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) ---------- OG: 11.7.65 P_2c2_1/m' UNI: 14.82 P2_1/c.1'_c[P2_1/m] BNS: 14.82 P_c2_1/c OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,1) (my|0,1/2,1) (1|0,0,1)' (2y|0,1/2,1)' (-1|0,0,0)' (my|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y+1/2,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,-z;-mx,0,-mz) (-x,-1/4,-z+1;mx,0,mz) (x,1/4,z+1;-mx,0,-mz) 4d (1/2,0,1/2;mx,my,mz) (-1/2,1/2,-1/2;-mx,my,-mz) (1/2,0,3/2;-mx,-my,-mz) (-1/2,1/2,1/2;mx,-my,mz) 4c (0,0,1/2;mx,my,mz) (0,1/2,-1/2;-mx,my,-mz) (0,0,3/2;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (1/2,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1;0,0,0) (0,1/2,1;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,0,1/2)' (2y|0,1/2,0)' (-1|0,0,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,1/4,z+1/2;-mx,0,-mz) 4d (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) 4b (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 12.1.66 C2/m UNI: 12.58 C2/m.1 BNS: 12.58 C2/m Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) 4f (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) 4e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) 2d (0,1/2,1/2;0,my,0) 2c (0,0,1/2;0,my,0) 2b (0,1/2,0;0,my,0) 2a (0,0,0;0,my,0) ---------- OG: 12.2.67 C2/m1' UNI: 12.59 C2/m.1' BNS: 12.59 C2/m1' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8j (x,y,z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z;0,0,0) 4i (x,0,z;0,0,0) (-x,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 12.3.68 C2'/m UNI: 12.60 C2'/m BNS: 12.60 C2'/m Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 12.4.69 C2/m' UNI: 12.61 C2/m' BNS: 12.61 C2/m' Operators: (1|0,0,0) (2y|0,0,0) (-1|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 12.5.70 C2'/m' UNI: 12.62 C2'/m' BNS: 12.62 C2'/m' Operators: (1|0,0,0) (2y|0,0,0)' (-1|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (1,1,0)+ (0,0,-2)+ (1/2,3/2,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;mx,0,mz) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,mz) 4f (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,mz) 2d (0,1/2,1/2;mx,0,mz) 2c (0,0,1/2;mx,0,mz) 2b (0,1/2,0;mx,0,mz) 2a (0,0,0;mx,0,mz) ---------- OG: 12.6.71 C_2c2/m UNI: 12.63 C2/m.1'_c[C2/m] BNS: 12.63 C_c2/m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (x,-y,z+1;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,0,z+1;0,-my,0) (-x,0,-z+1;0,-my,0) 8h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y,1;0,-my,0) (0,-y,1;0,-my,0) 8f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;mx,my,mz) (-1/4,1/4,0;-mx,my,-mz) (1/4,1/4,1;-mx,-my,-mz) (-1/4,1/4,1;mx,-my,mz) 4d (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 4c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4b (0,1/2,0;0,my,0) (0,1/2,1;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x,0,z+1/2;0,-my,0) (-x,0,-z+1/2;0,-my,0) 8h (0,y,1/4;mx,0,mz) (0,y,3/4;-mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,-y,1/4;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,0;0,my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,-my,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 8e (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,-mz) (3/4,1/4,1/2;mx,-my,mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4b (0,1/2,0;0,my,0) (0,1/2,1/2;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1/2;0,-my,0) ---------- OG: 12.7.72 C_P2/m UNI: 10.49 P2/m.1'_C[C2/m] BNS: 10.49 P_C2/m OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,1,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,1/2,0;0,-my,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (-1|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,-z;0,-my,0) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,0,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,1/2,0;0,-my,0) ---------- OG: 12.8.73 C_2c2/m' UNI: 15.90 C2/c.1'_c[C2/m] BNS: 15.90 C_c2/c OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|0,0,1) (my|0,0,1) (1|0,0,1)' (2y|0,0,1)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z+1;mx,my,mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x,0,-z+1;mx,0,mz) (x,0,z+1;-mx,0,-mz) 8h (0,y,1/2;mx,0,mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,-y,3/2;-mx,0,-mz) 8g (0,y,0;0,my,0) (0,-y,1;0,my,0) (0,y,1;0,-my,0) (0,-y,0;0,-my,0) 8f (1/4,1/4,1/2;mx,my,mz) (-1/4,1/4,-1/2;-mx,my,-mz) (1/4,1/4,3/2;-mx,-my,-mz) (-1/4,1/4,1/2;mx,-my,mz) 8e (1/4,1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,1;0,0,0) (1/4,-1/4,1;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (0,1/2,-1/2;-mx,0,-mz) 4c (0,0,1/2;mx,0,mz) (0,0,-1/2;-mx,0,-mz) 4b (0,1/2,0;0,0,0) (0,-1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2y|0,0,0)' (-1|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16j (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) 8h (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 8g (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) 8f (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,-mz) (3/4,1/4,0;mx,-my,mz) 8e (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4d (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 4c (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 4b (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 12.9.74 C_P2'/m UNI: 11.57 P2_1/m.1'_C[C2/m] BNS: 11.57 P_C2_1/m OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (-1|1/2,1/2,0) (my|0,0,0) (1|1/2,1/2,0)' (2y|0,0,0)' (-1|0,0,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4i (x,0,z;0,my,0) (-x+1/2,1/2,-z;0,my,0) (x+1/2,1/2,z;0,-my,0) (-x,0,-z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (1/2,-y+1/2,-1/2;mx,0,mz) (0,-y,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;mx,0,mz) (0,-y,0;-mx,0,-mz) 4f (1/4,1/4,1/2;mx,my,mz) (1/4,3/4,-1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (-1/4,1/4,-1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (-1/4,1/4,0;mx,-my,mz) 2d (0,1/2,1/2;0,0,0) (1/2,1,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (my|0,1/2,0) (1|1/2,1/2,0)' (2y|1/2,0,0)' (-1|1/2,1/2,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4i (x,3/4,z;0,my,0) (-x,1/4,-z;0,my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,-z;0,-my,0) 4h (3/4,y,1/2;mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,-mz) 4g (3/4,y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,-mz) (1/4,-y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,-mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,0;mx,-my,mz) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 12.10.75 C_P2/m' UNI: 13.73 P2/c.1'_A[A2/m] BNS: 13.73 P_A2/c OG-BNS transformation: (1/4,1/4,0;c,-b,a) Operators (OG): (1|0,0,0) (2y|0,0,0) (-1|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2y|1/2,1/2,0)' (-1|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,1/2,-z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) 4h (0,y,1/2;0,my,0) (1/2,-y+1/2,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y,-1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,0;0,-my,0) (0,-y,0;0,-my,0) 4f (1/4,1/4,1/2;mx,my,mz) (-1/4,1/4,-1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (1/4,3/4,-1/2;mx,-my,mz) 4e (1/4,1/4,0;mx,my,mz) (-1/4,1/4,0;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,3/4,0;mx,-my,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2y|0,1/2,0)' (-1|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) 4i (x,1/4,z;mx,0,mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) 4h (1/2,y,3/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4g (0,y,3/4;0,my,0) (0,-y,1/4;0,my,0) (0,y+1/2,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 4f (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) 2d (1/2,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 2c (1/2,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) 2b (0,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) 2a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) ---------- OG: 12.11.76 C_P2'/m' UNI: 14.83 P2_1/c.1'_A[A2/m] BNS: 14.83 P_A2_1/c OG-BNS transformation: (0,0,0;c,-b,a) Operators (OG): (1|0,0,0) (2y|1/2,1/2,0) (-1|0,0,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2y|0,0,0)' (-1|1/2,1/2,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8j (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) 4h (0,y,1/2;mx,0,mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (0,-y,-1/2;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (1/2,-y+1/2,0;-mx,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,1/2,1/2;mx,0,mz) (1/2,1,-1/2;-mx,0,-mz) 2c (0,0,1/2;mx,0,mz) (1/2,1/2,-1/2;-mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (1/2,1,0;-mx,0,-mz) 2a (0,0,0;mx,0,mz) (1/2,1/2,0;-mx,0,-mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2y|0,0,0)' (-1|0,1/2,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8j (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) 4i (x,0,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) 4h (1/2,y,0;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) 4f (1/2,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4e (0,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) 2d (1/2,1/2,0;mx,0,mz) (1/2,0,1/2;-mx,0,-mz) 2c (1/2,0,0;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) 2a (0,0,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) ---------- OG: 13.1.77 P2/c UNI: 13.65 P2/c.1 BNS: 13.65 P2/c Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) 2e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 2b (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) ---------- OG: 13.2.78 P2/c1' UNI: 13.66 P2/c.1' BNS: 13.66 P2/c1' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4g (x,y,z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z+1/2;0,0,0) 2f (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 2e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 13.3.79 P2'/c UNI: 13.67 P2'/c BNS: 13.67 P2'/c Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2f (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 2e (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 13.4.80 P2/c' UNI: 13.68 P2/c' BNS: 13.68 P2/c' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 2f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) 2e (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 13.5.81 P2'/c' UNI: 13.69 P2'/c' BNS: 13.69 P2'/c' Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4g (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2f (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,mz) 2e (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,mz) 2d (1/2,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,mz) 2c (0,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 2b (1/2,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,mz) ---------- OG: 13.6.82 P_2a2/c UNI: 13.70 P2/c.1'_a[P2/c] BNS: 13.70 P_a2/c OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2y|1,0,1/2)' (-1|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,-my,0) 4d (1/2,0,0;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1,1/2,0;-mx,-my,-mz) (1,1/2,1/2;mx,-my,mz) 4b (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,0,1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2y|1/2,0,1/2)' (-1|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4f (1/4,y,1/4;mx,0,mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (1/4,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) 4d (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4b (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) ---------- OG: 13.7.83 P_2b2/c UNI: 13.71 P2/c.1'_b[P2/c] BNS: 13.71 P_b2/c OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,1,1/2)' (-1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;0,my,0) (-1/2,-y,-1/4;0,my,0) (1/2,y+1,1/4;0,-my,0) (-1/2,-y+1,-1/4;0,-my,0) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (0,y+1,1/4;0,-my,0) (0,-y+1,-1/4;0,-my,0) 4d (1/2,0,0;mx,my,mz) (-1/2,0,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,-mz) (-1/2,1,1/2;mx,-my,mz) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) 4b (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1,0;-mx,-my,-mz) (0,1,1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (2y|0,1/2,1/2)' (-1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (0,y+1/2,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 4d (1/2,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) 4c (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) 4b (1/2,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) ---------- OG: 13.8.84 P_C2/c UNI: 15.91 C2/c.1'_a[P2/c] BNS: 15.91 C_a2/c OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,1,1/2)' (-1|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x,-y+1,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 8f (1/2,y,1/4;mx,0,mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 8e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (0,y+1,1/4;0,-my,0) (0,-y+1,-1/4;0,-my,0) 8d (1/2,0,0;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) 8b (1/2,1/2,0;mx,my,mz) (-1/2,1/2,1/2;-mx,my,-mz) (1/2,3/2,0;-mx,-my,-mz) (-1/2,3/2,1/2;mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (0,1,0;-mx,-my,-mz) (0,1,1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2y|0,1/2,1/2)' (-1|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8f (1/4,y,1/4;mx,0,mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (1/4,-y,3/4;-mx,0,-mz) 8e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,-my,0) 8d (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 8c (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) 8b (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,1/4,0;-mx,-my,-mz) (3/4,3/4,1/2;mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) ---------- OG: 13.9.85 P_2b2'/c UNI: 14.81 P2_1/c.1'_b[P2/c] BNS: 14.81 P_b2_1/c OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2y|0,1,1/2) (-1|0,1,0) (my|0,0,1/2) (1|0,1,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x,-y+1,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (-1/2,y+1,1/4;-mx,0,-mz) (-1/2,-y+1,-1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) 4e (0,y,1/4;mx,0,mz) (0,y+1,1/4;-mx,0,-mz) (0,-y+1,-1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/2,0,0;0,0,0) (-1/2,1,1/2;0,0,0) (-1/2,1,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/2,0;mx,my,mz) (0,3/2,1/2;-mx,my,-mz) (0,3/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) 4b (1/2,1/2,0;mx,my,mz) (-1/2,3/2,1/2;-mx,my,-mz) (1/2,3/2,0;-mx,-my,-mz) (-1/2,1/2,1/2;mx,-my,mz) 4a (0,0,0;0,0,0) (0,1,1/2;0,0,0) (0,1,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,1/2,0)' (2y|0,0,1/2)' (-1|0,1/2,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4f (1/2,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y,3/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) 4e (0,y,1/4;mx,0,mz) (0,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,-y+1/2,3/4;-mx,0,-mz) 4d (1/2,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,-mz) (0,0,1/2;mx,-my,mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4a (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) ---------- OG: 14.1.86 P2_1/c UNI: 14.75 P2_1/c.1 BNS: 14.75 P2_1/c Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,-mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) 2a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) ---------- OG: 14.2.87 P2_1/c1' UNI: 14.76 P2_1/c.1' BNS: 14.76 P2_1/c1' Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|0,0,0)' (2y|0,1/2,1/2)' (-1|0,0,0)' (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 14.3.88 P2_1'/c UNI: 14.77 P2_1'/c BNS: 14.77 P2_1'/c Operators: (1|0,0,0) (2y|0,1/2,1/2)' (-1|0,0,0)' (my|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 14.4.89 P2_1/c' UNI: 14.78 P2_1/c' BNS: 14.78 P2_1/c' Operators: (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0)' (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2d (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 14.5.90 P2_1'/c' UNI: 14.79 P2_1'/c' BNS: 14.79 P2_1'/c' Operators: (1|0,0,0) (2y|0,1/2,1/2)' (-1|0,0,0) (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2d (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,mz) 2c (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,mz) 2b (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) 2a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) ---------- OG: 14.6.91 P_2a2_1/c UNI: 14.80 P2_1/c.1'_a[P2_1/c] BNS: 14.80 P_a2_1/c OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1,0,0)' (2y|1,1/2,1/2)' (-1|1,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,-z;-mx,-my,-mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4d (1/2,0,1/2;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,0,-1/2;0,0,0) (1/2,1/2,1;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1,0,1/2;-mx,-my,-mz) (1,1/2,0;mx,-my,mz) 4b (1/2,0,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1,0,0;-mx,-my,-mz) (1,1/2,1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1/2,0,0)' (2y|1/2,1/2,1/2)' (-1|1/2,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (1/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) 4c (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) 4b (1/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) ---------- OG: 15.1.92 C2/c UNI: 15.85 C2/c.1 BNS: 15.85 C2/c Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 4d (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,0;-mx,my,-mz) 4c (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) ---------- OG: 15.2.93 C2/c1' UNI: 15.86 C2/c.1' BNS: 15.86 C2/c1' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (x,-y,z+1/2;0,0,0) 4e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 15.3.94 C2'/c UNI: 15.87 C2'/c BNS: 15.87 C2'/c Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4e (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 15.4.95 C2/c' UNI: 15.88 C2/c' BNS: 15.88 C2/c' Operators: (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 15.5.96 C2'/c' UNI: 15.89 C2'/c' BNS: 15.89 C2'/c' Operators: (1|0,0,0) (2y|0,0,1/2)' (-1|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (1,1,0)+ (0,0,-2)+ (1/2,3/2,0)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4e (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,mz) 4d (1/4,1/4,1/2;mx,my,mz) (3/4,1/4,0;mx,-my,mz) 4c (1/4,1/4,0;mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,mz) ---------- OG: 15.6.97 C_P2/c UNI: 13.74 P2/c.1'_C[C2/c] BNS: 13.74 P_C2/c OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,-1/4,1;0,0,0) 4c (1/4,1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,-mz) (1/2,1,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) 4d (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4c (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (0,1/2,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) ---------- OG: 15.7.98 C_P2'/c UNI: 14.84 P2_1/c.1'_C[C2/c] BNS: 14.84 P_C2_1/c OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2y|1/2,1/2,1/2) (-1|1/2,1/2,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2y|0,0,1/2)' (-1|0,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4e (0,y,1/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,-1/4;mx,0,mz) (0,-y,3/4;-mx,0,-mz) 4d (1/4,1/4,1/2;mx,my,mz) (1/4,3/4,0;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,-mz) (-1/4,1/4,0;mx,-my,mz) 4c (1/4,1/4,0;mx,my,mz) (1/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,-mz) (-1/4,1/4,1/2;mx,-my,mz) 4b (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (-1|0,0,0) (my|0,1/2,1/2) (1|1/2,1/2,0)' (2y|1/2,0,1/2)' (-1|1/2,1/2,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4e (3/4,y,1/4;mx,0,mz) (1/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,-mz) 4d (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,0;mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,1/2;mx,-my,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 16.1.99 P222 UNI: 16.1 P222.1 BNS: 16.1 P222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 2r (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2o (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2m (0,y,0;0,my,0) (0,-y,0;0,-my,0) 2l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 2j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 2i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (0,0,1/2;0,0,0) 1c (0,1/2,0;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 16.2.100 P2221' UNI: 16.2 P222.1' BNS: 16.2 P2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4u (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2r (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,0,1/2;0,0,0) 1e (1/2,1/2,0;0,0,0) 1d (0,0,1/2;0,0,0) 1c (0,1/2,0;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 16.3.101 P2'2'2 UNI: 16.3 P2'2'2 BNS: 16.3 P2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4u (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 2r (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2p (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) 2o (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) 2n (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,mz) 2m (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 2l (x,1/2,1/2;0,my,mz) (-x,1/2,1/2;0,-my,mz) 2k (x,1/2,0;0,my,mz) (-x,1/2,0;0,-my,mz) 2j (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 2i (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 1h (1/2,1/2,1/2;0,0,mz) 1g (0,1/2,1/2;0,0,mz) 1f (1/2,0,1/2;0,0,mz) 1e (1/2,1/2,0;0,0,mz) 1d (0,0,1/2;0,0,mz) 1c (0,1/2,0;0,0,mz) 1b (1/2,0,0;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 16.4.102 P_2a222 UNI: 16.4 P222.1'_a[P222] BNS: 16.4 P_a222 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) 4s (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z;0,0,mz) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 4q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,mz) 4p (1/2,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,my,0) 4m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y,0;0,-my,0) (1,-y,0;0,my,0) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (x+1,1/2,1/2;-mx,0,0) (-x+1,1/2,-1/2;mx,0,0) 4k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1,1/2,0;-mx,0,0) (-x+1,1/2,0;mx,0,0) 4j (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,-1/2;mx,0,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) 2h (1/2,1/2,1/2;mx,0,0) (-1/2,1/2,-1/2;-mx,0,0) 2g (0,1/2,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2f (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 2e (1/2,1/2,0;mx,0,0) (-1/2,1/2,0;-mx,0,0) 2d (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1,1/2,0;0,0,0) 2b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 4t (1/4,1/2,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) 4s (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 4q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4p (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) 4o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 4m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,my,0) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) 2h (1/4,1/2,1/2;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 2g (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2f (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 2e (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 16.5.103 P_C222 UNI: 21.43 C222.1'_a[P222] BNS: 21.43 C_a222 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) 8t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z;0,0,mz) 8s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) 8r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 8q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,mz) 8p (1/2,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (-1/2,y,-1/2;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) 8o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 8n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1,y,1/2;0,-my,0) (1,-y,-1/2;0,my,0) 8m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y,0;0,-my,0) (1,-y,0;0,my,0) 8l (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) 8k (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) 8j (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,-1/2;mx,0,0) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) 4h (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 4g (0,1/2,1/2;0,my,0) (0,-1/2,-1/2;0,-my,0) 4f (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 4e (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 4d (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 4c (0,1/2,0;0,my,0) (0,-1/2,0;0,-my,0) 4b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 4a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,3/4,-z;0,0,mz) 8s (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z;-mx,my,0) (0,3/4,z;-mx,-my,0) 8r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 8q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 8p (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) 8o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 8n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) (1/2,-y,0;0,my,0) 8l (x,1/4,1/2;0,my,mz) (x,3/4,1/2;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,-my,mz) 8k (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) 8j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) 4h (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4g (0,1/4,1/2;0,my,0) (0,3/4,1/2;0,-my,0) 4f (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/4,0;0,my,0) (0,3/4,0;0,-my,0) 4b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 16.6.104 P_F222 UNI: 22.48 F222.1'_I[P222] BNS: 22.48 F_S222 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) 16t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,3/2,z+1;0,0,-mz) (3/2,1/2,-z+1;0,0,mz) 16s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) 16r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z;-mx,my,0) (-1/2,0,z;-mx,-my,0) 16q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,1,z+1;0,0,-mz) (1,1,-z+1;0,0,mz) 16p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (3/2,y+1,3/2;0,-my,0) (3/2,-y+1,1/2;0,my,0) 16o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 16n (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 16m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1,y+1,1;0,-my,0) (1,-y+1,1;0,my,0) 16l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (x+1,3/2,3/2;-mx,0,0) (-x+1,3/2,1/2;mx,0,0) 16k (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) 16j (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1,1;-mx,0,0) (-x+1,1,1;mx,0,0) 8h (1/2,1/2,1/2;0,0,0) (3/2,3/2,3/2;0,0,0) 8g (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) 8f (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 8e (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 8d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 8c (0,1/2,0;0,my,0) (0,-1/2,0;0,-my,0) 8b (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 16t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) 16s (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z;-mx,my,0) (0,3/4,z;-mx,-my,0) 16r (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,my,0) (3/4,0,z;-mx,-my,0) 16q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 16p (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,y,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) 16o (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y,0;-mx,0,mz) 16n (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 16m (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) 16k (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) 16j (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 8h (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8g (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 8f (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 8c (0,1/4,0;0,my,0) (0,3/4,0;0,-my,0) 8b (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 16.7.105 P_2c22'2' UNI: 17.12 P222_1.1'_c[P222] BNS: 17.12 P_c222_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z+1;-mx,my,0) (-1/2,-1/2,z+1;-mx,-my,0) 4s (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (-1/2,0,-z+1;-mx,my,0) (-1/2,0,z+1;-mx,-my,0) 4q (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) 4p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (1/2,y,3/2;0,-my,0) (1/2,-y,1/2;0,my,0) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (-1/2,y,1;-mx,0,-mz) (-1/2,-y,1;-mx,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (0,-y,1/2;0,my,0) 4m (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (0,-y,1;-mx,0,mz) 4l (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,3/2;0,-my,mz) 4k (x,1/2,0;mx,0,0) (-x,1/2,1;-mx,0,0) (x,1/2,1;-mx,0,0) (-x,1/2,0;mx,0,0) 4j (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) 4i (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,0;mx,0,0) 2h (1/2,1/2,1/2;0,my,0) (1/2,-1/2,-1/2;0,-my,0) 2g (0,1/2,1/2;0,my,0) (0,-1/2,-1/2;0,-my,0) 2f (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 2e (1/2,1/2,0;mx,0,0) (-1/2,1/2,1;-mx,0,0) 2d (0,0,1/2;0,my,0) (0,0,-1/2;0,-my,0) 2c (0,1/2,0;mx,0,0) (0,1/2,1;-mx,0,0) 2b (1/2,0,0;mx,0,0) (-1/2,0,1;-mx,0,0) 2a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (BNS): 8u (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4t (1/2,1/2,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) 4s (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,z+1/2;-mx,-my,0) 4r (1/2,0,z;mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) 4q (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) 4p (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 4o (1/2,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) 4n (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y,1/4;0,my,0) 4m (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4l (x,1/2,1/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,-my,mz) 4k (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) 4j (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 4i (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 2h (1/2,1/2,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) 2g (0,1/2,1/4;0,my,0) (0,1/2,3/4;0,-my,0) 2f (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,-my,0) 2e (1/2,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2d (0,0,1/4;0,my,0) (0,0,3/4;0,-my,0) 2c (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) ---------- OG: 17.1.106 P222_1 UNI: 17.7 P222_1.1 BNS: 17.7 P222_1 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) 2d (1/2,y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) 2c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 2b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) ---------- OG: 17.2.107 P222_11' UNI: 17.8 P222_1.1' BNS: 17.8 P222_11' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) 2d (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 2c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 2b (x,1/2,0;0,0,0) (-x,1/2,1/2;0,0,0) 2a (x,0,0;0,0,0) (-x,0,1/2;0,0,0) ---------- OG: 17.3.108 P2'2'2_1 UNI: 17.9 P2'2'2_1 BNS: 17.9 P2'2'2_1 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4e (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) 2d (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;-mx,0,mz) 2c (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,mz) 2b (x,1/2,0;0,my,mz) (-x,1/2,1/2;0,-my,mz) 2a (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) ---------- OG: 17.4.109 P22'2_1' UNI: 17.10 P22'2_1' BNS: 17.10 P22'2_1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 4e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 2d (1/2,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,-mz) 2c (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) 2b (x,1/2,0;mx,0,0) (-x,1/2,1/2;mx,0,0) 2a (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) ---------- OG: 17.5.110 P_2a222_1 UNI: 17.11 P222_1.1'_a[P222_1] BNS: 17.11 P_a222_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,1/2)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) 4d (1/2,y,1/4;mx,0,mz) (1/2,-y,-1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,3/4;-mx,0,mz) 4c (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) 4b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 4d (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 4b (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) ---------- OG: 17.6.111 P_C222_1 UNI: 20.36 C222_1.1'_a[P222_1] BNS: 20.36 C_a222_1 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,1/2)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) 8d (1/2,y,1/4;mx,0,mz) (1/2,-y,-1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,3/4;-mx,0,mz) 8c (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) 8b (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) 8a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1,0,0;-mx,0,0) (-x+1,0,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8d (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 8c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 8b (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,-my,mz) 8a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) ---------- OG: 17.7.112 P_2a2'2'2_1 UNI: 18.20 P2_12_12.1'_b[P2_122] BNS: 18.20 P_b2_12_12 OG-BNS transformation: (1/2,0,1/4;c,2a,b) Operators (OG): (1|0,0,0) (2x|1,0,0) (2y|1,0,1/2) (2z|0,0,1/2) (1|1,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (2,0,0)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) 4d (1/2,y,1/4;0,my,0) (-1/2,-y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) 4c (0,y,1/4;mx,0,mz) (1,-y,-1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,3/4;-mx,0,mz) 4b (x,1/2,0;0,my,mz) (x+1,-1/2,0;0,-my,-mz) (-x+1,1/2,1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) 4a (x,0,0;0,my,mz) (x+1,0,0;0,-my,-mz) (-x+1,0,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2y|1/2,1/2,0) (2z|0,0,0) (2x|1/2,1/2,0) (1|0,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2x|1/2,0,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4c (0,3/4,z;mx,my,0) (1/2,1/4,-z;-mx,my,0) (0,1/4,z;-mx,-my,0) (1/2,3/4,-z;mx,-my,0) 4b (3/4,y,1/2;mx,0,mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) 4a (3/4,y,0;mx,0,mz) (3/4,y+1/2,0;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) ---------- OG: 18.1.113 P2_12_12 UNI: 18.16 P2_12_12.1 BNS: 18.16 P2_12_12 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) ---------- OG: 18.2.114 P2_12_121' UNI: 18.17 P2_12_12.1' BNS: 18.17 P2_12_121' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) ---------- OG: 18.3.115 P2_1'2_1'2 UNI: 18.18 P2_1'2_1'2 BNS: 18.18 P2_1'2_1'2 Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) ---------- OG: 18.4.116 P2_12_1'2' UNI: 18.19 P2_12_1'2' BNS: 18.19 P2_12_1'2' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 4c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) ---------- OG: 18.5.117 P_2c2_12_12 UNI: 18.21 P2_12_12.1'_c[P2_12_12] BNS: 18.21 P_c2_12_12 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) ---------- OG: 18.6.118 P_2c2_12_1'2' UNI: 19.28 P2_12_12_1.1'_c[P2_12_12] BNS: 19.28 P_c2_12_12_1 OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1) (2z|0,0,1) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4b (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,1,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 4b (3/4,1/2,z;mx,my,0) (1/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (3/4,1/2,z+1/2;-mx,-my,0) 4a (3/4,0,z;mx,my,0) (1/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,z+1/2;-mx,-my,0) ---------- OG: 19.1.119 P2_12_12_1 UNI: 19.25 P2_12_12_1.1 BNS: 19.25 P2_12_12_1 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) ---------- OG: 19.2.120 P2_12_12_11' UNI: 19.26 P2_12_12_1.1' BNS: 19.26 P2_12_12_11' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) ---------- OG: 19.3.121 P2_1'2_1'2_1 UNI: 19.27 P2_1'2_1'2_1 BNS: 19.27 P2_1'2_1'2_1 Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) ---------- OG: 20.1.122 C222_1 UNI: 20.31 C222_1.1 BNS: 20.31 C222_1 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) 4b (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) ---------- OG: 20.2.123 C222_11' UNI: 20.32 C222_1.1' BNS: 20.32 C222_11' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8c (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) 4b (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4a (x,0,0;0,0,0) (-x,0,1/2;0,0,0) ---------- OG: 20.3.124 C2'2'2_1 UNI: 20.33 C2'2'2_1 BNS: 20.33 C2'2'2_1 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) 4b (0,y,1/4;mx,0,mz) (0,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) ---------- OG: 20.4.125 C22'2_1' UNI: 20.34 C22'2_1' BNS: 20.34 C22'2_1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 4b (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) 4a (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) ---------- OG: 20.5.126 C_P222_1 UNI: 17.14 P222_1.1'_C[C222_1] BNS: 17.14 P_C222_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) ---------- OG: 20.6.127 C_P2'2'2_1 UNI: 19.29 P2_12_12_1.1'_C[C222_1] BNS: 19.29 P_C2_12_12_1 OG-BNS transformation: (1/4,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1/2) (2z|0,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,y,1/4;mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) 4b (3/4,y,1/4;mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) 4a (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) ---------- OG: 20.7.128 C_P22'2_1' UNI: 18.22 P2_12_12.1'_B[B22_12] BNS: 18.22 P_B2_12_12 OG-BNS transformation: (1/4,0,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8c (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 4b (0,y,1/4;mx,0,mz) (0,-y,-1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,mz) 4a (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (2x|0,1/2,1/2)' (2y|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) 4b (x,1/4,3/4;0,my,mz) (-x,3/4,3/4;0,-my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) ---------- OG: 21.1.129 C222 UNI: 21.38 C222.1 BNS: 21.38 C222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 21.2.130 C2221' UNI: 21.39 C222.1' BNS: 21.39 C2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8l (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 4j (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 21.3.131 C2'2'2 UNI: 21.40 C2'2'2 BNS: 21.40 C2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) 2c (1/2,0,1/2;0,0,mz) 2b (0,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 21.4.132 C22'2' UNI: 21.41 C22'2' BNS: 21.41 C22'2' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (0,-1,0)+ (1,0,0)+ (0,0,1)+ (1/2,-1/2,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) 4j (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) 4i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;mx,0,0) 2d (0,0,1/2;mx,0,0) 2c (1/2,0,1/2;mx,0,0) 2b (0,1/2,0;mx,0,0) 2a (0,0,0;mx,0,0) ---------- OG: 21.5.133 C_2c222 UNI: 21.42 C222.1'_c[C222] BNS: 21.42 C_c222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 8h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1;0,-my,0) (0,-y,1;0,my,0) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) 4d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4c (1/2,0,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4c (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 21.6.134 C_P222 UNI: 16.5 P222.1'_C[C222] BNS: 16.5 P_C222 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 21.7.135 C_I222 UNI: 23.52 I222.1'_c[C222] BNS: 23.52 I_c222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 8h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1;0,-my,0) (0,-y,1;0,my,0) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) 4d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4c (1/2,0,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4c (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 21.8.136 C_2c22'2' UNI: 20.35 C222_1.1'_c[C222] BNS: 20.35 C_c222_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) 8h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (0,-y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (0,-y,1;-mx,0,mz) 8f (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (-x,0,0;mx,0,0) 4d (0,0,1/2;0,my,0) (0,0,-1/2;0,-my,0) 4c (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z+1/2;-mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,z+1/2;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) 8h (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y,1/4;0,my,0) 8g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 4d (0,0,1/4;0,my,0) (0,0,3/4;0,-my,0) 4c (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,-my,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) ---------- OG: 21.9.137 C_P2'2'2 UNI: 18.23 P2_12_12.1'_C[C222] BNS: 18.23 P_C2_12_12 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y+1/2,-1/2;mx,0,-mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1/2,1/2,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (1,1/2,-1/2;0,0,-mz) 2b (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 21.10.138 C_P22'2' UNI: 17.13 P222_1.1'_B[B222] BNS: 17.13 P_B222_1 OG-BNS transformation: (1/4,0,0;a,-c,b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,0) (2z|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) 4j (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (1/2,1,-z;-mx,my,0) (1/2,0,z;-mx,-my,0) 4i (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (1/2,1/2,-z;-mx,my,0) (1/2,1/2,z;-mx,-my,0) 4h (0,y,1/2;mx,0,mz) (0,-y,-1/2;mx,0,-mz) (1/2,y+1/2,-1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) 4f (x,0,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) 2d (0,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (0,1/2,0;mx,0,0) (1/2,0,0;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,1/2,0;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2z|0,0,1/2) (2y|0,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2z|1/2,0,0)' (2y|1/2,0,0)' Wyckoff positions (BNS): 8l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) 4k (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 4j (3/4,y,1/2;mx,0,mz) (3/4,-y,1/2;mx,0,-mz) (1/4,-y,0;-mx,0,mz) (1/4,y,0;-mx,0,-mz) 4i (3/4,y,0;mx,0,mz) (3/4,-y,0;mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,y,1/2;-mx,0,-mz) 4h (3/4,1/2,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (1/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) 4g (3/4,0,z;mx,my,0) (3/4,0,-z;mx,-my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) 2d (3/4,1/2,0;mx,0,0) (1/4,1/2,1/2;-mx,0,0) 2c (1/4,1/2,0;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 2b (3/4,0,1/2;mx,0,0) (1/4,0,0;-mx,0,0) 2a (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) ---------- OG: 21.11.139 C_I2'22' UNI: 24.56 I2_12_12_1.1'_c[C222] BNS: 24.56 I_c2_12_12_1 OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,0) (2z|0,0,1) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,1)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16l (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z+1;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1;mx,-my,0) (0,0,-z;-mx,my,0) (0,0,z+1;-mx,-my,0) 8h (0,y,1/2;mx,0,mz) (0,-y,1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (0,-y,3/2;-mx,0,mz) 8g (0,y,0;0,my,0) (0,-y,1;0,-my,0) (0,y,1;0,-my,0) (0,-y,0;0,my,0) 8f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x,0,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x,0,0;0,my,-mz) (-x,0,1;0,-my,mz) 4d (0,0,1/2;mx,0,0) (0,0,-1/2;-mx,0,0) 4c (1/2,0,1/2;mx,0,0) (-1/2,0,-1/2;-mx,0,0) 4b (0,1/2,0;0,my,0) (0,-1/2,1;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1;0,-my,0) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16l (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8k (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) 8j (3/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (1/4,0,z;-mx,-my,0) 8i (3/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,my,0) (1/4,1/2,z;-mx,-my,0) 8h (3/4,y,1/4;mx,0,mz) (3/4,-y,1/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) 8g (3/4,y,0;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,-my,0) (3/4,-y,0;0,my,0) 8f (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) 8e (x,0,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x,1/2,0;0,-my,mz) 4d (3/4,0,1/4;mx,0,0) (3/4,0,3/4;-mx,0,0) 4c (1/4,0,1/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 4b (3/4,1/2,0;0,my,0) (3/4,1/2,1/2;0,-my,0) 4a (3/4,0,0;0,my,0) (3/4,0,1/2;0,-my,0) ---------- OG: 22.1.140 F222 UNI: 22.45 F222.1 BNS: 22.45 F222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 8j (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) 8i (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 22.2.141 F2221' UNI: 22.46 F222.1' BNS: 22.46 F2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16k (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 8j (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) 8i (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) 8h (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) 8f (0,y,0;0,0,0) (0,-y,0;0,0,0) 8e (x,0,0;0,0,0) (-x,0,0;0,0,0) 4d (1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 22.3.142 F2'2'2 UNI: 22.47 F2'2'2 BNS: 22.47 F2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (1/2,1/2,1)+ (1/2,3/2,0)+ (0,1,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 8j (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (3/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 8f (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 8e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 4d (1/4,1/4,3/4;0,0,mz) 4c (1/4,1/4,1/4;0,0,mz) 4b (0,0,1/2;0,0,mz) 4a (0,0,0;0,0,mz) ---------- OG: 22.4.143 F_C222 UNI: 21.44 C222.1'_A[F222] BNS: 21.44 C_A222 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4d (1/4,1/4,3/4;0,0,mz) (1/4,-1/4,-3/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) 8i (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 8f (0,y,0;0,my,0) (0,-y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) 8e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) 4d (1/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 22.5.144 F_C22'2' UNI: 20.37 C222_1.1'_A[F222] BNS: 20.37 C_A222_1 OG-BNS transformation: (1/4,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,-1/4,3/4;0,-my,mz) 8i (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) 8h (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) 8g (0,0,z;mx,my,0) (0,0,-z;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) 8f (0,y,0;mx,0,mz) (0,-y,0;mx,0,-mz) (1/2,y,1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) 4d (1/4,1/4,3/4;0,my,0) (1/4,-1/4,-3/4;0,-my,0) 4c (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) 8j (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,mz) 8i (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (0,y+1/2,3/4;0,-my,0) (1/2,-y,1/4;0,my,0) 8h (0,1/4,z;mx,my,0) (0,3/4,-z;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,z+1/2;-mx,-my,0) 8g (3/4,0,z;mx,my,0) (3/4,0,-z;mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (1/4,0,z+1/2;-mx,-my,0) 8f (3/4,y,0;mx,0,mz) (3/4,-y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) 4d (0,1/4,3/4;0,my,0) (0,3/4,1/4;0,-my,0) 4c (0,1/4,1/4;0,my,0) (0,3/4,3/4;0,-my,0) 4b (3/4,0,1/2;mx,0,0) (1/4,0,0;-mx,0,0) 4a (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) ---------- OG: 23.1.145 I222 UNI: 23.49 I222.1 BNS: 23.49 I222 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (0,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 23.2.146 I2221' UNI: 23.50 I222.1' BNS: 23.50 I2221' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8k (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) 4j (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (0,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 23.3.147 I2'2'2 UNI: 23.51 I2'2'2 BNS: 23.51 I2'2'2 Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) 4g (0,y,0;mx,0,mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) 2d (0,1/2,0;0,0,mz) 2c (0,0,1/2;0,0,mz) 2b (1/2,0,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 23.4.148 I_P222 UNI: 16.6 P222.1'_I[I222] BNS: 16.6 P_I222 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) (1,y+1/2,1/2;0,-my,0) (1,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8k (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4h (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) 4f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 23.5.149 I_P2'2'2 UNI: 18.24 P2_12_12.1'_I[I222] BNS: 18.24 P_I2_12_12 OG-BNS transformation: (0,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4h (1/2,y,0;mx,0,mz) (1,-y+1/2,1/2;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (-1/2,-y,0;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,-mz) (0,-y,0;-mx,0,mz) 4f (x,0,1/2;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) 2d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2b (1/2,0,0;0,0,mz) (1,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4j (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 4h (1/2,y,3/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) 4g (0,y,3/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,3/4;-mx,0,mz) 4f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) 4e (x,0,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) 2d (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 2c (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2b (1/2,0,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 2a (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) ---------- OG: 24.1.150 I2_12_12_1 UNI: 24.53 I2_12_12_1.1 BNS: 24.53 I2_12_12_1 Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) 4c (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) 4b (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) 4a (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) ---------- OG: 24.2.151 I2_12_12_11' UNI: 24.54 I2_12_12_1.1' BNS: 24.54 I2_12_12_11' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8d (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) 4c (0,1/4,z;0,0,0) (0,3/4,-z+1/2;0,0,0) 4b (1/4,y,0;0,0,0) (1/4,-y,1/2;0,0,0) 4a (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) ---------- OG: 24.3.152 I2_1'2_1'2_1 UNI: 24.55 I2_1'2_1'2_1 BNS: 24.55 I2_1'2_1'2_1 Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) 4c (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,mz) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) ---------- OG: 24.4.153 I_P2_12_12_1 UNI: 19.30 P2_12_12_1.1'_I[I2_12_12_1] BNS: 19.30 P_I2_12_12_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (1/2,1/4,-z+1;mx,-my,0) (1,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,1;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y+1,1/2;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) 4a (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) ---------- OG: 24.5.154 I_P2_1'2_1'2_1 UNI: 17.15 P222_1.1'_I[I2_12_12_1] BNS: 17.15 P_I222_1 OG-BNS transformation: (1/4,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1,1/2,1/2)' (2z|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) 4c (0,1/4,z;mx,my,0) (0,-1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) 4b (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y+1/2,1;0,my,0) 4a (x,0,1/4;mx,0,0) (-x+1/2,0,-1/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1,1/2,1/4;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) 4b (0,y,3/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) 4a (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) ---------- OG: 25.1.155 Pmm2 UNI: 25.57 Pmm2.1 BNS: 25.57 Pmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 2h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) 2g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 2f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) 2e (x,0,z;0,my,0) (-x,0,z;0,-my,0) 1d (1/2,1/2,z;0,0,0) 1c (1/2,0,z;0,0,0) 1b (0,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 25.2.156 Pmm21' UNI: 25.58 Pmm2.1' BNS: 25.58 Pmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4i (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 2h (1/2,y,z;0,0,0) (1/2,-y,z;0,0,0) 2g (0,y,z;0,0,0) (0,-y,z;0,0,0) 2f (x,1/2,z;0,0,0) (-x,1/2,z;0,0,0) 2e (x,0,z;0,0,0) (-x,0,z;0,0,0) 1d (1/2,1/2,z;0,0,0) 1c (1/2,0,z;0,0,0) 1b (0,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 25.3.157 Pm'm2' UNI: 25.59 Pm'm2' BNS: 25.59 Pm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4i (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 2h (1/2,y,z;0,my,mz) (1/2,-y,z;0,my,-mz) 2g (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 2f (x,1/2,z;0,my,0) (-x,1/2,z;0,my,0) 2e (x,0,z;0,my,0) (-x,0,z;0,my,0) 1d (1/2,1/2,z;0,my,0) 1c (1/2,0,z;0,my,0) 1b (0,1/2,z;0,my,0) 1a (0,0,z;0,my,0) ---------- OG: 25.4.158 Pm'm'2 UNI: 25.60 Pm'm'2 BNS: 25.60 Pm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 2h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) 2g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 2f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) 2e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 1d (1/2,1/2,z;0,0,mz) 1c (1/2,0,z;0,0,mz) 1b (0,1/2,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 25.5.159 P_2cmm2 UNI: 25.61 Pmm2.1'_c[Pmm2] BNS: 25.61 P_cmm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z+1;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 25.6.160 P_2amm2 UNI: 25.62 Pmm2.1'_a[Pmm2] BNS: 25.62 P_amm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (-x+1,-1/2,z;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 2d (1/2,1/2,z;0,my,0) (-1/2,-1/2,z;0,-my,0) 2c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) (1,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 4g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 4f (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 2d (1/4,1/2,z;0,my,0) (3/4,1/2,z;0,-my,0) 2c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) (1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 25.7.161 P_Cmm2 UNI: 35.170 Cmm2.1'_a[Pmm2] BNS: 35.170 C_amm2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 4c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4d (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 25.8.162 P_Amm2 UNI: 38.193 Amm2.1'_b[Pmm2] BNS: 38.193 A_bmm2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z+1;mx,0,0) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 4d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z;-mx,0,0) 4c (1/2,0,z;0,0,0) (1/2,0,z+1;0,0,0) 4b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 8e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 4d (1/2,1/4,z;mx,0,0) (1/2,3/4,z;-mx,0,0) 4c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 4b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 25.9.163 P_Fmm2 UNI: 42.223 Fmm2.1'_I[Pmm2] BNS: 42.223 F_Smm2 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,1,1)' (2z|1,1,1)' (mx|1,1,1)' (my|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y+1,z+1;-mx,-my,-mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) 16h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 16g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y+1,z+1;-mx,0,0) (1,-y+1,z+1;mx,0,0) 16f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 16e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,1,z+1;0,-my,0) (-x+1,1,z+1;0,my,0) 8d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 8c (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 8b (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) 8a (0,0,z;0,0,0) (1,1,z+1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 16h (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 16g (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 16f (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) 16e (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8d (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8c (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 8b (0,1/4,z;mx,0,0) (0,3/4,z;-mx,0,0) 8a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 25.10.164 P_2cmm'2' UNI: 26.73 Pmc2_1.1'_c[Pmm2] BNS: 26.73 P_cmc2_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|0,0,0) (my|0,0,1) (1|0,0,1)' (2z|0,0,0)' (mx|0,0,1)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z+1;-mx,0,0) (1/2,y,z+1;-mx,0,0) (-1/2,-y,z;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z;mx,0,0) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z+1;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z+1;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z+1;-mx,0,0) 2c (1/2,0,z;mx,0,0) (-1/2,0,z+1;-mx,0,0) 2b (0,1/2,z;mx,0,0) (0,-1/2,z+1;-mx,0,0) 2a (0,0,z;mx,0,0) (0,0,z+1;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4g (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) 2c (1/2,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 2b (0,1/2,z;mx,0,0) (0,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (0,0,z+1/2;-mx,0,0) ---------- OG: 25.11.165 P_2cm'm'2 UNI: 27.82 Pcc2.1'_c[Pmm2] BNS: 27.82 P_ccc2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 2d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 2c (1/2,0,z;0,0,mz) (-1/2,0,z+1;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 25.12.166 P_2am'm'2 UNI: 28.92 Pma2.1'_a[Pmm2] BNS: 28.92 P_ama2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,0) (my|1,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (3/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1,y,z;0,-my,-mz) (1,-y,z;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (-x+1,1/2,z;mx,0,-mz) (x+1,-1/2,z;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 2d (1/2,1/2,z;mx,0,0) (-1/2,-1/2,z;-mx,0,0) 2c (1/2,0,z;mx,0,0) (-1/2,0,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4h (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z;-mx,0,0) (1/4,-y,z;mx,0,0) 4g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4f (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 2d (1/4,1/2,z;mx,0,0) (3/4,1/2,z;-mx,0,0) 2c (1/4,0,z;mx,0,0) (3/4,0,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- OG: 25.13.167 P_Am'm'2 UNI: 39.201 Abm2.1'_b[Pmm2] BNS: 39.201 A_bbm2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) 8g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8f (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) 8e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 4d (1/2,1/2,z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4c (1/2,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) 4b (0,1/2,z;0,my,0) (0,-1/2,z;0,-my,0) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8h (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8g (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8f (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (-x,3/4,z+1/2;0,my,0) 8e (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 4d (1/2,1/4,z;0,my,0) (1/2,3/4,z;0,-my,0) 4c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4b (0,1/4,z;0,my,0) (0,3/4,z;0,-my,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 26.1.168 Pmc2_1 UNI: 26.66 Pmc2_1.1 BNS: 26.66 Pmc2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 2a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) ---------- OG: 26.2.169 Pmc2_11' UNI: 26.67 Pmc2_1.1' BNS: 26.67 Pmc2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) 2b (1/2,y,z;0,0,0) (1/2,-y,z+1/2;0,0,0) 2a (0,y,z;0,0,0) (0,-y,z+1/2;0,0,0) ---------- OG: 26.3.170 Pm'c2_1' UNI: 26.68 Pm'c2_1' BNS: 26.68 Pm'c2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,my,-mz) 2a (0,y,z;0,my,mz) (0,-y,z+1/2;0,my,-mz) ---------- OG: 26.4.171 Pmc'2_1' UNI: 26.69 Pmc'2_1' BNS: 26.69 Pmc'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 2b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 2a (0,y,z;mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- OG: 26.5.172 Pm'c'2_1 UNI: 26.70 Pm'c'2_1 BNS: 26.70 Pm'c'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) 2a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) ---------- OG: 26.6.173 P_2amc2_1 UNI: 26.71 Pmc2_1.1'_a[Pmc2_1] BNS: 26.71 P_amc2_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,1/2)' (mx|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 4b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) ---------- OG: 26.7.174 P_2bmc2_1 UNI: 26.72 Pmc2_1.1'_b[Pmc2_1] BNS: 26.72 P_bmc2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1,0)' (2z|0,1,1/2)' (mx|0,1,0)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x,y+1,z;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) 4b (1/2,y,z;mx,0,0) (-1/2,-y,z+1/2;-mx,0,0) (1/2,y+1,z;-mx,0,0) (-1/2,-y+1,z+1/2;mx,0,0) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y+1,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) ---------- OG: 26.8.175 P_Cmc2_1 UNI: 36.178 Cmc2_1.1'_a[Pmc2_1] BNS: 36.178 C_amc2_1 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,1/2)' (mx|1,0,0)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 8a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) ---------- OG: 26.9.176 P_2amc'2_1' UNI: 31.128 Pmn2_1.1'_a[Pmc2_1] BNS: 31.128 P_amn2_1 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|1,0,1/2) (mx|0,0,0) (my|1,0,1/2) (1|1,0,0)' (2z|0,0,1/2)' (mx|1,0,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (-1/2,y,z;0,-my,-mz) (3/2,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (1,-y,z+1/2;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- OG: 26.10.177 P_2bm'c'2_1 UNI: 29.104 Pca2_1.1'_a[Pcm2_1] BNS: 29.104 P_aca2_1 OG-BNS transformation: (0,0,0;2b,-a,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,1,0) (my|0,1,1/2) (1|0,1,0)' (2z|0,1,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-1,0,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y+1,z;mx,-my,-mz) (x,-y+1,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (1/2,y,z;0,my,mz) (-1/2,-y,z+1/2;0,-my,mz) (-1/2,y+1,z;0,-my,-mz) (1/2,-y+1,z+1/2;0,my,-mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (0,y+1,z;0,-my,-mz) (0,-y+1,z+1/2;0,my,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,0,0) (mx|1/2,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (my|0,0,0)' (mx|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 4b (x,1/2,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) 4a (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (x+1/2,0,z;-mx,0,-mz) (-x+1/2,0,z+1/2;mx,0,-mz) ---------- OG: 27.1.178 Pcc2 UNI: 27.78 Pcc2.1 BNS: 27.78 Pcc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 27.2.179 Pcc21' UNI: 27.79 Pcc2.1' BNS: 27.79 Pcc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 2d (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2c (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 27.3.180 Pc'c2' UNI: 27.80 Pc'c2' BNS: 27.80 Pc'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 2d (1/2,1/2,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 2c (1/2,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 2b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- OG: 27.4.181 Pc'c'2 UNI: 27.81 Pc'c'2 BNS: 27.81 Pc'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 2d (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2c (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 27.5.182 P_2acc2 UNI: 27.83 Pcc2.1'_a[Pcc2] BNS: 27.83 P_acc2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 4d (1/2,1/2,z;mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) 4c (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4d (1/4,1/2,z;mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4c (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 27.6.183 P_Ccc2 UNI: 37.185 Ccc2.1'_a[Pcc2] BNS: 37.185 C_acc2 OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8d (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8c (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8c (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 27.7.184 P_2bc'c2' UNI: 30.117 Pnc2.1'_b[Pcc2] BNS: 30.117 P_bnc2 OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,1,0) (mx|0,1,1/2) (my|0,0,1/2) (1|0,1,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y+1,z;-mx,-my,mz) (-x,y+1,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) 4d (1/2,1/2,z;0,0,mz) (-1/2,3/2,z+1/2;0,0,-mz) (1/2,3/2,z;0,0,-mz) (-1/2,1/2,z+1/2;0,0,mz) 4c (1/2,0,z;mx,my,0) (-1/2,1,z;-mx,-my,0) (-1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,3/2,z+1/2;0,0,-mz) (0,3/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;mx,my,0) (0,1,z;-mx,-my,0) (0,1,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4d (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4c (1/2,3/4,z;mx,my,0) (1/2,1/4,z;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) 4b (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) ---------- OG: 28.1.185 Pma2 UNI: 28.87 Pma2.1 BNS: 28.87 Pma2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 2c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- OG: 28.2.186 Pma21' UNI: 28.88 Pma2.1' BNS: 28.88 Pma21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 2c (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 28.3.187 Pm'a2' UNI: 28.89 Pm'a2' BNS: 28.89 Pm'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 2c (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,1/2,z;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- OG: 28.4.188 Pma'2' UNI: 28.90 Pma'2' BNS: 28.90 Pma'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 4d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 2c (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 2b (0,1/2,z;mx,my,0) (1/2,1/2,z;mx,-my,0) 2a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- OG: 28.5.189 Pm'a'2 UNI: 28.91 Pm'a'2 BNS: 28.91 Pm'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 2c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- OG: 28.6.190 P_2bma2 UNI: 28.93 Pma2.1'_b[Pma2] BNS: 28.93 P_bma2 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1,0)' (2z|0,1,0)' (mx|1/2,1,0)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z;mx,my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (-1/4,-y+1,z;mx,0,0) 4b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1,z;0,0,-mz) (1/2,1,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 4b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 28.7.191 P_2cma2 UNI: 28.94 Pma2.1'_c[Pma2] BNS: 28.94 P_cma2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,1)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z+1;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 28.8.192 P_Ama2 UNI: 40.209 Ama2.1'_b[Pma2] BNS: 40.209 A_bma2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,1)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 8c (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z+1;mx,0,0) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 28.9.193 P_2bm'a2' UNI: 32.140 Pba2.1'_b[Pma2] BNS: 32.140 P_bba2 OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,1,0) (mx|1/2,1,0) (my|1/2,0,0) (1|0,1,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1,z;-mx,-my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y+1,z;0,-my,mz) (1/4,y+1,z;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,3/2,z;0,0,-mz) (0,3/2,z;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;mx,my,0) (0,1,z;-mx,-my,0) (1/2,1,z;mx,-my,0) (1/2,0,z;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,1/2,0)' (2z|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y+1/2,z;0,-my,-mz) (3/4,-y+1/2,z;0,my,-mz) 4b (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (1/2,3/4,z;-mx,my,0) ---------- OG: 28.10.194 P_2cm'a2' UNI: 29.106 Pca2_1.1'_c[Pma2] BNS: 29.106 P_cca2_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,0,1) (my|1/2,0,0) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y,z+1;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,-1/2,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,0,z+1;mx,-my,0) (1/2,0,z;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,0,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) ---------- OG: 28.11.195 P_2cma'2' UNI: 31.130 Pmn2_1.1'_c[Pma2] BNS: 31.130 P_cmn2_1 OG-BNS transformation: (1/4,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,0,0) (my|1/2,0,1) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,0,1)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (1/4,y,z;mx,0,0) (-1/4,-y,z+1;-mx,0,0) (1/4,y,z+1;-mx,0,0) (-1/4,-y,z;mx,0,0) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1/2,z;mx,-my,0) (1/2,-1/2,z+1;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,0,z;mx,-my,0) (1/2,0,z+1;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,0,1/2)' (2z|1/2,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4b (3/4,1/2,z;mx,my,0) (3/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,z;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4a (3/4,0,z;mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (1/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) ---------- OG: 28.12.196 P_2cm'a'2 UNI: 30.118 Pnc2.1'_c[Pbm2] BNS: 30.118 P_cnc2 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1) (my|1/2,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4c (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (3/4,-y,z+1;0,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,-1/2,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,-1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|0,1/2,1/2) (mx|0,1/2,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (my|0,1/2,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 4c (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) (-x,1/4,z+1/2;mx,0,-mz) 4b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) ---------- OG: 28.13.197 P_Am'a'2 UNI: 41.217 Aba2.1'_b[Pma2] BNS: 41.217 A_bba2 OG-BNS transformation: (0,0,0;a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1) (my|1/2,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8c (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (1/4,y,z+1;0,-my,-mz) (3/4,-y,z+1;0,my,-mz) 8b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,-1/2,z+1;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,0,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8c (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) ---------- OG: 29.1.198 Pca2_1 UNI: 29.99 Pca2_1.1 BNS: 29.99 Pca2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) ---------- OG: 29.2.199 Pca2_11' UNI: 29.100 Pca2_1.1' BNS: 29.100 Pca2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) ---------- OG: 29.3.200 Pc'a2_1' UNI: 29.101 Pc'a2_1' BNS: 29.101 Pc'a2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) ---------- OG: 29.4.201 Pca'2_1' UNI: 29.102 Pca'2_1' BNS: 29.102 Pca'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,0,1/2) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) ---------- OG: 29.5.202 Pc'a'2_1 UNI: 29.103 Pc'a'2_1 BNS: 29.103 Pc'a'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) ---------- OG: 29.6.203 P_2bca2_1 UNI: 29.105 Pca2_1.1'_b[Pca2_1] BNS: 29.105 P_bca2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1,0)' (2z|0,1,1/2)' (mx|1/2,1,1/2)' (my|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x+1/2,-y+1,z;mx,-my,mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) ---------- OG: 29.7.204 P_2bc'a'2_1 UNI: 33.150 Pna2_1.1'_b[Pca2_1] BNS: 33.150 P_bna2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1,1/2) (my|1/2,1,0) (1|0,1,0)' (2z|0,1,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x+1/2,-y+1,z;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x,-y+1,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) ---------- OG: 30.1.205 Pnc2 UNI: 30.111 Pnc2.1 BNS: 30.111 Pnc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) ---------- OG: 30.2.206 Pnc21' UNI: 30.112 Pnc2.1' BNS: 30.112 Pnc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- OG: 30.3.207 Pn'c2' UNI: 30.113 Pn'c2' BNS: 30.113 Pn'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) 2b (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) ---------- OG: 30.4.208 Pnc'2' UNI: 30.114 Pnc'2' BNS: 30.114 Pnc'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,1/2,1/2) (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2b (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) 2a (0,0,z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) ---------- OG: 30.5.209 Pn'c'2 UNI: 30.115 Pn'c'2 BNS: 30.115 Pn'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) ---------- OG: 30.6.210 P_2anc2 UNI: 30.116 Pnc2.1'_a[Pnc2] BNS: 30.116 P_anc2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,1/2,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 30.7.211 P_2anc'2' UNI: 34.160 Pnn2.1'_a[Pnc2] BNS: 34.160 P_ann2 OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|1,0,0) (mx|0,1/2,1/2) (my|1,1/2,1/2) (1|1,0,0)' (2z|0,0,0)' (mx|1,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/2,0,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;mx,my,0) (1,0,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (1,1/2,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (3/4,0,z;mx,my,0) (1/4,0,z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) ---------- OG: 31.1.212 Pmn2_1 UNI: 31.123 Pmn2_1.1 BNS: 31.123 Pmn2_1 Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 2a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) ---------- OG: 31.2.213 Pmn2_11' UNI: 31.124 Pmn2_1.1' BNS: 31.124 Pmn2_11' Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,0,0)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4b (x,y,z;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) 2a (0,y,z;0,0,0) (1/2,-y,z+1/2;0,0,0) ---------- OG: 31.3.214 Pm'n2_1' UNI: 31.125 Pm'n2_1' BNS: 31.125 Pm'n2_1' Operators: (1|0,0,0) (2z|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (1,0,1)+ 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 2a (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,my,-mz) ---------- OG: 31.4.215 Pmn'2_1' UNI: 31.126 Pmn'2_1' BNS: 31.126 Pmn'2_1' Operators: (1|0,0,0) (2z|1/2,0,1/2)' (mx|0,0,0) (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 2a (0,y,z;mx,0,0) (1/2,-y,z+1/2;mx,0,0) ---------- OG: 31.5.216 Pm'n'2_1 UNI: 31.127 Pm'n'2_1 BNS: 31.127 Pm'n'2_1 Operators: (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 2a (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) ---------- OG: 31.6.217 P_2bmn2_1 UNI: 31.129 Pmn2_1.1'_b[Pmn2_1] BNS: 31.129 P_bmn2_1 OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1,0)' (2z|1/2,1,1/2)' (mx|0,1,0)' (my|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x,y+1,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) ---------- OG: 31.7.218 P_2bm'n2_1' UNI: 33.149 Pna2_1.1'_a[Pnm2_1] BNS: 33.149 P_ana2_1 OG-BNS transformation: (1/4,1/2,0;2b,-a,c) Operators (OG): (1|0,0,0) (2z|1/2,1,1/2) (mx|0,1,0) (my|1/2,0,1/2) (1|0,1,0)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,y+1,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) 4a (0,y,z;0,my,mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,y+1,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,1/2,0) (mx|1/2,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (my|0,1/2,0)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) 4a (x,1/4,z;mx,0,mz) (-x,3/4,z+1/2;-mx,0,mz) (x+1/2,1/4,z;-mx,0,-mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) ---------- OG: 32.1.219 Pba2 UNI: 32.135 Pba2.1 BNS: 32.135 Pba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- OG: 32.2.220 Pba21' UNI: 32.136 Pba2.1' BNS: 32.136 Pba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 32.3.221 Pb'a2' UNI: 32.137 Pb'a2' BNS: 32.137 Pb'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,z;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,z;-mx,my,0) ---------- OG: 32.4.222 Pb'a'2 UNI: 32.138 Pb'a'2 BNS: 32.138 Pb'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) ---------- OG: 32.5.223 P_2cba2 UNI: 32.139 Pba2.1'_c[Pba2] BNS: 32.139 P_cba2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 32.6.224 P_2cb'a2' UNI: 33.151 Pna2_1.1'_c[Pba2] BNS: 33.151 P_cna2_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|1/2,1/2,1) (my|1/2,1/2,0) (1|0,0,1)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,1,z+1;mx,-my,0) (1/2,0,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,1/2,z;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,0,1/2)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,1/2,z;-mx,my,0) ---------- OG: 32.7.225 P_2cb'a'2 UNI: 34.161 Pnn2.1'_c[Pba2] BNS: 34.161 P_cnn2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,1,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 33.1.226 Pna2_1 UNI: 33.144 Pna2_1.1 BNS: 33.144 Pna2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) ---------- OG: 33.2.227 Pna2_11' UNI: 33.145 Pna2_1.1' BNS: 33.145 Pna2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,0,0)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z;0,0,0) ---------- OG: 33.3.228 Pn'a2_1' UNI: 33.146 Pn'a2_1' BNS: 33.146 Pn'a2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) ---------- OG: 33.4.229 Pna'2_1' UNI: 33.147 Pna'2_1' BNS: 33.147 Pna'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|1/2,1/2,1/2) (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,1)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) ---------- OG: 33.5.230 Pn'a'2_1 UNI: 33.148 Pn'a'2_1 BNS: 33.148 Pn'a'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) ---------- OG: 34.1.231 Pnn2 UNI: 34.156 Pnn2.1 BNS: 34.156 Pnn2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 34.2.232 Pnn21' UNI: 34.157 Pnn2.1' BNS: 34.157 Pnn21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) 2b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 34.3.233 Pn'n2' UNI: 34.158 Pn'n2' BNS: 34.158 Pn'n2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (1,0,1)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 2b (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 2a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) ---------- OG: 34.4.234 Pn'n'2 UNI: 34.159 Pn'n'2 BNS: 34.159 Pn'n'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 34.5.235 P_Fnn2 UNI: 43.228 Fdd2.1'_I[Pnn2] BNS: 43.228 F_Sdd2 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1,1,1)' (2z|1,1,1)' (mx|3/2,3/2,3/2)' (my|3/2,3/2,3/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 32c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y+1,z+1;-mx,-my,-mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+3/2,y+3/2,z+3/2;-mx,my,mz) (x+3/2,-y+3/2,z+3/2;mx,-my,mz) 16b (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 16a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1,1,z+1;0,0,-mz) (3/2,3/2,z+3/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) (1|0,0,1/2)' (2z|1/2,1/2,1/2)' (mx|3/4,3/4,3/4)' (my|3/4,3/4,3/4)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+3/4,y+3/4,z+3/4;-mx,my,mz) (x+3/4,-y+3/4,z+3/4;mx,-my,mz) 16b (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (1/4,1/2,z+1/4;mx,-my,0) (1/4,0,z+1/4;-mx,my,0) 16a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,-mz) (3/4,3/4,z+3/4;0,0,mz) ---------- OG: 35.1.236 Cmm2 UNI: 35.165 Cmm2.1 BNS: 35.165 Cmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 35.2.237 Cmm21' UNI: 35.166 Cmm2.1' BNS: 35.166 Cmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4e (0,y,z;0,0,0) (0,-y,z;0,0,0) 4d (x,0,z;0,0,0) (-x,0,z;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,1/4,z;0,0,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 35.3.238 Cm'm2' UNI: 35.167 Cm'm2' BNS: 35.167 Cm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4d (x,0,z;0,my,0) (-x,0,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,my,0) 2b (0,1/2,z;0,my,0) 2a (0,0,z;0,my,0) ---------- OG: 35.4.239 Cm'm'2 UNI: 35.168 Cm'm'2 BNS: 35.168 Cm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) 2b (0,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- OG: 35.5.240 C_2cmm2 UNI: 35.169 Cmm2.1'_c[Cmm2] BNS: 35.169 C_cmm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 8c (1/4,1/4,z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,z+1;0,0,mz) 4b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 8c (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 35.6.241 C_Pmm2 UNI: 25.63 Pmm2.1'_C[Cmm2] BNS: 25.63 P_Cmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,0) (1/2,1,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 35.7.242 C_Imm2 UNI: 44.233 Imm2.1'_c[Cmm2] BNS: 44.233 I_cmm2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,z+1;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8e (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 8c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 35.8.243 C_2cm'm2' UNI: 36.177 Cmc2_1.1'_c[Cmm2] BNS: 36.177 C_cmc2_1 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|0,0,1) (my|0,0,0) (1|0,0,1)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z+1;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z;0,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z;0,my,0) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) (-1/4,1/4,z+1;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 4b (0,1/2,z;0,my,0) (0,-1/2,z+1;0,-my,0) 4a (0,0,z;0,my,0) (0,0,z+1;0,-my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|0,0,1/2) (mx|0,0,0) (1|0,0,1/2)' (2z|0,0,0)' (my|0,0,0)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8e (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (x,0,z+1/2;-mx,0,-mz) (-x,0,z;mx,0,-mz) 8d (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8c (1/4,3/4,z;mx,my,0) (3/4,1/4,z+1/2;-mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) (3/4,3/4,z;mx,-my,0) 4b (1/2,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 4a (0,0,z;mx,0,0) (0,0,z+1/2;-mx,0,0) ---------- OG: 35.9.244 C_2cm'm'2 UNI: 37.184 Ccc2.1'_c[Cmm2] BNS: 37.184 C_ccc2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 8c (1/4,1/4,z;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,z;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 35.10.245 C_Pm'm2' UNI: 28.97 Pma2.1'_C[Cmm2] BNS: 28.97 P_Cma2 OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (mx|1/2,1/2,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|0,0,0)' (mx|0,0,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (1/2,-y+1/2,z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z;0,my,-mz) 4d (x,0,z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x,0,z;0,my,0) 4c (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,z;0,0,mz) 2b (0,1/2,z;0,my,0) (1/2,0,z;0,-my,0) 2a (0,0,z;0,my,0) (1/2,1/2,z;0,-my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|1/2,0,0) (mx|1/2,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (my|0,1/2,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 4e (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (x+1/2,3/4,z;-mx,0,-mz) (-x+1/2,1/4,z;mx,0,-mz) 4d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 4c (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z;0,0,mz) 2b (1/4,1/4,z;mx,0,0) (3/4,3/4,z;-mx,0,0) 2a (3/4,1/4,z;mx,0,0) (1/4,3/4,z;-mx,0,0) ---------- OG: 35.11.246 C_Pm'm'2 UNI: 32.141 Pba2.1'_C[Cmm2] BNS: 32.141 P_Cba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,mz) (1/2,1,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) 2b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- OG: 35.12.247 C_Im'm2' UNI: 46.246 Ima2.1'_c[Cmm2] BNS: 46.246 I_cma2 OG-BNS transformation: (1/4,1/4,0;b,-a,2c) Operators (OG): (1|0,0,0) (2z|0,0,1) (mx|0,0,1) (my|0,0,0) (1|0,0,1)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z+1;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z+1;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z;0,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (-x,0,z;0,my,0) 8c (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,z+1;0,0,mz) 4b (0,1/2,z;0,my,0) (0,-1/2,z+1;0,-my,0) 4a (0,0,z;0,my,0) (0,0,z+1;0,-my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|1/2,0,0) (mx|1/2,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (my|0,1/2,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 8e (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (x+1/2,3/4,z;-mx,0,-mz) (-x+1/2,1/4,z;mx,0,-mz) 8d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,z+1/2;mx,0,0) 8c (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) 4b (1/4,1/4,z;mx,0,0) (3/4,3/4,z;-mx,0,0) 4a (3/4,1/4,z;mx,0,0) (1/4,3/4,z;-mx,0,0) ---------- OG: 35.13.248 C_Im'm'2 UNI: 45.239 Iba2.1'_c[Cmm2] BNS: 45.239 I_cba2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 8c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z+1;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 36.1.249 Cmc2_1 UNI: 36.172 Cmc2_1.1 BNS: 36.172 Cmc2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) ---------- OG: 36.2.250 Cmc2_11' UNI: 36.173 Cmc2_1.1' BNS: 36.173 Cmc2_11' Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8b (x,y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) 4a (0,y,z;0,0,0) (0,-y,z+1/2;0,0,0) ---------- OG: 36.3.251 Cm'c2_1' UNI: 36.174 Cm'c2_1' BNS: 36.174 Cm'c2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,my,-mz) ---------- OG: 36.4.252 Cmc'2_1' UNI: 36.175 Cmc'2_1' BNS: 36.175 Cmc'2_1' Operators: (1|0,0,0) (2z|0,0,1/2)' (mx|0,0,0) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;mx,0,0) ---------- OG: 36.5.253 Cm'c'2_1 UNI: 36.176 Cm'c'2_1 BNS: 36.176 Cm'c'2_1 Operators: (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) ---------- OG: 36.6.254 C_Pmc2_1 UNI: 26.76 Pmc2_1.1'_C[Cmc2_1] BNS: 26.76 P_Cmc2_1 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) ---------- OG: 36.7.255 C_Pm'c2_1' UNI: 29.109 Pca2_1.1'_C[Ccm2_1] BNS: 29.109 P_Cca2_1 OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|1/2,1/2,0) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;0,my,mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,0,0) (mx|1/2,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (my|0,1/2,0)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) 4a (x,1/4,z;mx,0,mz) (-x,3/4,z+1/2;-mx,0,mz) (x+1/2,3/4,z;-mx,0,-mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) ---------- OG: 36.8.256 C_Pmc'2_1' UNI: 31.133 Pmn2_1.1'_C[Cmc2_1] BNS: 31.133 P_Cmn2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,0) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|0,1/2,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4a (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) ---------- OG: 36.9.257 C_Pm'c'2_1 UNI: 33.154 Pna2_1.1'_C[Ccm2_1] BNS: 33.154 P_Cna2_1 OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4a (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,1/2,0) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (my|0,0,0)' (mx|0,0,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 4a (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (x+1/2,1/2,z;-mx,0,-mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) ---------- OG: 37.1.258 Ccc2 UNI: 37.180 Ccc2.1 BNS: 37.180 Ccc2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 37.2.259 Ccc21' UNI: 37.181 Ccc2.1' BNS: 37.181 Ccc21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 37.3.260 Cc'c2' UNI: 37.182 Cc'c2' BNS: 37.182 Cc'c2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4c (1/4,1/4,z;mx,my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- OG: 37.4.261 Cc'c'2 UNI: 37.183 Cc'c'2 BNS: 37.183 Cc'c'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 37.5.262 C_Pcc2 UNI: 27.84 Pcc2.1'_C[Ccc2] BNS: 27.84 P_Ccc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 37.6.263 C_Pc'c2' UNI: 30.121 Pnc2.1'_C[Ccc2] BNS: 30.121 P_Cnc2 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,0) (mx|1/2,1/2,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,z+1/2;0,0,mz) 4b (0,1/2,z;mx,my,0) (1/2,0,z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4c (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4b (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) ---------- OG: 37.7.264 C_Pc'c'2 UNI: 34.163 Pnn2.1'_C[Ccc2] BNS: 34.163 P_Cnn2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 38.1.265 Amm2 UNI: 38.187 Amm2.1 BNS: 38.187 Amm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) 2b (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 38.2.266 Amm21' UNI: 38.188 Amm2.1' BNS: 38.188 Amm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8f (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4e (1/2,y,z;0,0,0) (1/2,-y,z;0,0,0) 4d (0,y,z;0,0,0) (0,-y,z;0,0,0) 4c (x,0,z;0,0,0) (-x,0,z;0,0,0) 2b (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 38.3.267 Am'm2' UNI: 38.189 Am'm2' BNS: 38.189 Am'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (1/2,-1/2,0)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4c (x,0,z;0,my,0) (-x,0,z;0,my,0) 2b (1/2,0,z;0,my,0) 2a (0,0,z;0,my,0) ---------- OG: 38.4.268 Amm'2' UNI: 38.190 Amm'2' BNS: 38.190 Amm'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0) (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (-2,0,0)+ (0,1,1)+ (-1,1/2,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x,0,z;mx,0,-mz) 2b (1/2,0,z;mx,0,0) 2a (0,0,z;mx,0,0) ---------- OG: 38.5.269 Am'm'2 UNI: 38.191 Am'm'2 BNS: 38.191 Am'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 2b (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- OG: 38.6.270 A_2amm2 UNI: 38.192 Amm2.1'_a[Amm2] BNS: 38.192 A_amm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4b (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4b (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 38.7.271 A_Pmm2 UNI: 25.64 Pmm2.1'_A[Amm2] BNS: 25.64 P_Amm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-1/2,-y+1/2,z+1/2;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) 2b (1/2,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- OG: 38.8.272 A_Imm2 UNI: 44.234 Imm2.1'_a[Amm2] BNS: 44.234 I_amm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) 4b (1/2,0,z;0,my,0) (-1/2,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (-x+1/2,0,z;0,my,0) 4b (1/4,0,z;0,my,0) (3/4,0,z;0,-my,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 38.9.273 A_2amm'2' UNI: 40.208 Ama2.1'_a[Amm2] BNS: 40.208 A_ama2 OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|1,0,0) (mx|0,0,0) (my|1,0,0) (1|1,0,0)' (2z|0,0,0)' (mx|1,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x+1,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (-1/2,y,z;0,-my,-mz) (3/2,-y,z;0,my,-mz) 8d (0,y,z;mx,0,0) (1,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,z;mx,0,0) 8c (x,0,z;mx,0,mz) (-x+1,0,z;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (3/2,0,z;0,0,-mz) 4a (0,0,z;mx,0,0) (1,0,z;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8d (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z;-mx,0,0) (3/4,-y,z;mx,0,0) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 4b (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) 4a (3/4,0,z;mx,0,0) (1/4,0,z;-mx,0,0) ---------- OG: 38.10.274 A_Pm'm2' UNI: 31.132 Pmn2_1.1'_B[Bmm2] BNS: 31.132 P_Bmn2_1 OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|0,1/2,1/2) (my|0,0,0) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|0,0,0)' (my|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (-1/2,-y+1/2,z+1/2;0,-my,mz) (-1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y,z;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y+1/2,z+1/2;0,-my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y,z;0,my,-mz) 4c (x,0,z;0,my,0) (-x,1/2,z+1/2;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,0,z;0,my,0) 2b (1/2,0,z;0,my,0) (-1/2,1/2,z+1/2;0,-my,0) 2a (0,0,z;0,my,0) (0,1/2,z+1/2;0,-my,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (my|1/2,0,1/2) (mx|0,0,0) (1|1/2,0,1/2)' (2z|0,0,0)' (my|0,0,0)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 4e (x,1/2,z;mx,0,mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (-x,1/2,z;mx,0,-mz) 4d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (x+1/2,0,z+1/2;-mx,0,-mz) (-x,0,z;mx,0,-mz) 4c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 2b (0,1/2,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) ---------- OG: 38.11.275 A_Pmm'2' UNI: 26.74 Pmc2_1.1'_A[Amm2] BNS: 26.74 P_Amc2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|0,0,0) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|0,1/2,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (-1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-1/2,-y,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y+1/2,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x,1/2,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;mx,0,0) (-1/2,1/2,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (0,1/2,z+1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|0,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4e (1/2,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4d (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z;mx,0,0) 4c (x,3/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 2b (1/2,3/4,z;mx,0,0) (1/2,1/4,z+1/2;-mx,0,0) 2a (0,3/4,z;mx,0,0) (0,1/4,z+1/2;-mx,0,0) ---------- OG: 38.12.276 A_Pm'm'2 UNI: 30.119 Pnc2.1'_A[Amm2] BNS: 30.119 P_Anc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (-1/2,-y,z;0,-my,mz) (-1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4e (1/2,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 2b (1/2,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) ---------- OG: 38.13.277 A_Im'm'2 UNI: 46.247 Ima2.1'_a[Amm2] BNS: 46.247 I_ama2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,0) (my|1,0,0) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/2,y,z;mx,0,0) (-1/2,-y,z;-mx,0,0) (3/2,y,z;-mx,0,0) (1/2,-y,z;mx,0,0) 8d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1,y,z;0,-my,-mz) (1,-y,z;0,my,-mz) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1,0,z;mx,0,-mz) (x+1,0,z;-mx,0,-mz) 4b (1/2,0,z;mx,0,0) (-1/2,0,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8e (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z;-mx,0,0) (1/4,-y,z;mx,0,0) 8d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) 8c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x+1/2,0,z;-mx,0,-mz) 4b (1/4,0,z;mx,0,0) (3/4,0,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- OG: 39.1.278 Abm2 UNI: 39.195 Abm2.1 BNS: 39.195 Abm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4c (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 39.2.279 Abm21' UNI: 39.196 Abm2.1' BNS: 39.196 Abm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8d (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4c (x,1/4,z;0,0,0) (-x,3/4,z;0,0,0) 4b (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 39.3.280 Ab'm2' UNI: 39.197 Ab'm2' BNS: 39.197 Ab'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (1/2,-1/2,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4c (x,1/4,z;0,my,0) (-x,3/4,z;0,my,0) 4b (1/2,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- OG: 39.4.281 Abm'2' UNI: 39.198 Abm'2' BNS: 39.198 Abm'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,1)+ (2,0,0)+ (0,2,0)+ (1,1,0)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) 4b (1/2,0,z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;mx,-my,0) ---------- OG: 39.5.282 Ab'm'2 UNI: 39.199 Ab'm'2 BNS: 39.199 Ab'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 39.6.283 A_2abm2 UNI: 39.200 Abm2.1'_a[Abm2] BNS: 39.200 A_abm2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x+1,1/4,z;0,-my,0) (-x+1,-1/4,z;0,my,0) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;0,my,0) (-x,3/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 39.7.284 A_Pbm2 UNI: 28.96 Pma2.1'_B[Bma2] BNS: 28.96 P_Bma2 OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1) (my|0,1/2,1) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x,3/4,z+1/2;0,-my,0) (-x,1/4,z+1/2;0,my,0) 4b (1/2,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|1/2,0,0) (mx|1/2,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 4c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,z+1/2;mx,0,0) 4b (0,1/2,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 39.8.285 A_Ibm2 UNI: 46.248 Ima2.1'_b[Bma2] BNS: 46.248 I_bma2 OG-BNS transformation: (0,0,0;b,-2a,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,1/2) (my|1,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-2,0,0)+ (0,0,1)+ (-1,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;0,my,0) (-x,-1/4,z;0,-my,0) (x+1,1/4,z;0,-my,0) (-x+1,-1/4,z;0,my,0) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|1/2,0,0) (mx|1/2,0,0) (1|0,1/2,0)' (2z|0,1/2,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8c (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,z;mx,0,0) 8b (0,3/4,z;mx,my,0) (0,1/4,z;-mx,-my,0) (1/2,1/4,z;-mx,my,0) (1/2,3/4,z;mx,-my,0) 8a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 39.9.286 A_2ab'm'2 UNI: 41.216 Aba2.1'_a[Abm2] BNS: 41.216 A_aba2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,0,1/2) (my|1,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x+1,1/4,z+1/2;mx,0,-mz) (x+1,-1/4,z+1/2;-mx,0,-mz) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (1/4,0,z+1/2;mx,-my,0) (3/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 39.10.287 A_Pb'm2' UNI: 26.75 Pmc2_1.1'_B[Bma2] BNS: 26.75 P_Bmc2_1 OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|0,0,1/2) (my|0,1/2,1) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|0,1/2,1)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4c (x,1/4,z;0,my,0) (-x,1/4,z+1/2;0,-my,0) (x,3/4,z+1/2;0,-my,0) (-x,-1/4,z;0,my,0) 4b (1/2,0,z;mx,my,0) (-1/2,1/2,z+1/2;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,1/2,z+1;-mx,my,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (0,0,z+1/2;mx,-my,0) (0,1/2,z+1;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|0,0,1/2) (mx|0,0,0) (1|1/2,0,1/2)' (2z|1/2,0,0)' (my|1/2,0,0)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 4c (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 4b (3/4,1/2,z;mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) (1/4,1/2,z;mx,-my,0) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,0,z+1/2;-mx,my,0) (1/4,0,z;mx,-my,0) ---------- OG: 39.11.288 A_Pbm'2' UNI: 29.108 Pca2_1.1'_B[Bma2] BNS: 29.108 P_Bca2_1 OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|0,1/2,1) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (-x,3/4,z+1;mx,0,-mz) (x,-1/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;mx,my,0) (-1/2,1/2,z+1/2;-mx,-my,0) (-1/2,1/2,z+1;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (0,1/2,z+1;mx,-my,0) (0,0,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,0,0) (mx|1/2,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,0)' (my|0,0,1/2)' (mx|0,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z;-mx,my,mz) 4c (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,-y,z;0,my,-mz) (1/2,y,z+1/2;0,-my,-mz) 4b (3/4,1/2,z;mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,z;-mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,0,z;-mx,my,0) (3/4,0,z+1/2;mx,-my,0) ---------- OG: 39.12.289 A_Pb'm'2 UNI: 27.85 Pcc2.1'_A[Abm2] BNS: 27.85 P_Acc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,1)' (my|0,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,-1/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (-1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (-1/2,1/2,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) ---------- OG: 39.13.290 A_Ib'm'2 UNI: 45.240 Iba2.1'_a[Abm2] BNS: 45.240 I_aba2 OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ (1,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,-1/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,-1/4,z+1/2;-mx,0,-mz) 8b (1/2,0,z;mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 8c (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) 8b (1/4,0,z;mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 8a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z;0,0,mz) ---------- OG: 40.1.291 Ama2 UNI: 40.203 Ama2.1 BNS: 40.203 Ama2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- OG: 40.2.292 Ama21' UNI: 40.204 Ama2.1' BNS: 40.204 Ama21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 4b (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 40.3.293 Am'a2' UNI: 40.205 Am'a2' BNS: 40.205 Am'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (1/2,-1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- OG: 40.4.294 Ama'2' UNI: 40.206 Ama'2' BNS: 40.206 Ama'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (-2,0,0)+ (0,1,1)+ (-1,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- OG: 40.5.295 Am'a'2 UNI: 40.207 Am'a'2 BNS: 40.207 Am'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- OG: 40.6.296 A_Pma2 UNI: 28.95 Pma2.1'_A[Ama2] BNS: 28.95 P_Ama2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 40.7.297 A_Pm'a2' UNI: 33.152 Pna2_1.1'_A[Ama2] BNS: 33.152 P_Ana2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y+1/2,z+1/2;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z;0,my,-mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z+1/2;-mx,-my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,3/4,z;-mx,my,0) ---------- OG: 40.8.298 A_Pma'2' UNI: 31.131 Pmn2_1.1'_A[Ama2] BNS: 31.131 P_Amn2_1 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,0,0) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y+1/2,z+1/2;-mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|0,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4a (3/4,3/4,z;mx,my,0) (3/4,1/4,z+1/2;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) ---------- OG: 40.9.299 A_Pm'a'2 UNI: 34.162 Pnn2.1'_A[Ama2] BNS: 34.162 P_Ann2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) ---------- OG: 41.1.300 Aba2 UNI: 41.211 Aba2.1 BNS: 41.211 Aba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) ---------- OG: 41.2.301 Aba21' UNI: 41.212 Aba2.1' BNS: 41.212 Aba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 8b (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- OG: 41.3.302 Ab'a2' UNI: 41.213 Ab'a2' BNS: 41.213 Ab'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (1/2,-1/2,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) ---------- OG: 41.4.303 Aba'2' UNI: 41.214 Aba'2' BNS: 41.214 Aba'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,1/2) (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,1)+ (2,0,0)+ (0,2,0)+ (1,1,0)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) ---------- OG: 41.5.304 Ab'a'2 UNI: 41.215 Ab'a'2 BNS: 41.215 Ab'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 41.6.305 A_Pba2 UNI: 32.142 Pba2.1'_A[Aba2] BNS: 32.142 P_Aba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) ---------- OG: 41.7.306 A_Pb'a2' UNI: 29.107 Pca2_1.1'_A[Aba2] BNS: 29.107 P_Aca2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,0,1/2) (my|1/2,1/2,1) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,1/2,z+1;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|0,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4a (0,3/4,z;mx,my,0) (0,1/4,z+1/2;-mx,-my,0) (1/2,3/4,z+1/2;mx,-my,0) (1/2,1/4,z;-mx,my,0) ---------- OG: 41.8.307 A_Pba'2' UNI: 33.153 Pna2_1.1'_B[Bba2] BNS: 33.153 P_Bna2_1 OG-BNS transformation: (0,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,1/2,1/2) (mx|1/2,1/2,1) (my|1/2,0,1/2) (1|0,1/2,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/2;-mx,-my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (my|1/2,1/2,0) (mx|1/2,1/2,1/2) (1|1/2,0,1/2)' (2z|1/2,0,0)' (my|0,1/2,1/2)' (mx|0,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 4a (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,1/2,z;-mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) ---------- OG: 41.9.308 A_Pb'a'2 UNI: 30.120 Pnc2.1'_B[Bba2] BNS: 30.120 P_Bnc2 OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (my|0,1/2,1/2) (mx|0,1/2,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 42.1.309 Fmm2 UNI: 42.219 Fmm2.1 BNS: 42.219 Fmm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4a (0,0,z;0,0,0) ---------- OG: 42.2.310 Fmm21' UNI: 42.220 Fmm2.1' BNS: 42.220 Fmm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 8d (x,0,z;0,0,0) (-x,0,z;0,0,0) 8c (0,y,z;0,0,0) (0,-y,z;0,0,0) 8b (1/4,1/4,z;0,0,0) (3/4,1/4,z;0,0,0) 4a (0,0,z;0,0,0) ---------- OG: 42.3.311 Fm'm2' UNI: 42.221 Fm'm2' BNS: 42.221 Fm'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (2,0,0)+ (0,2,0)+ (1,0,1)+ (1/2,1,1/2)+ (3/2,0,1/2)+ (1,1,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 8d (x,0,z;0,my,0) (-x,0,z;0,my,0) 8c (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,my,0) 4a (0,0,z;0,my,0) ---------- OG: 42.4.312 Fm'm'2 UNI: 42.222 Fm'm'2 BNS: 42.222 Fm'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (1/2,1/2,1)+ (1/2,3/2,0)+ (0,1,1)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) 4a (0,0,z;0,0,mz) ---------- OG: 42.5.313 F_Cmm2 UNI: 35.171 Cmm2.1'_A[Fmm2] BNS: 35.171 C_Amm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,1/2,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4a (0,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- OG: 42.6.314 F_Amm2 UNI: 38.194 Amm2.1'_B[Fmm2] BNS: 38.194 A_Bmm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) 4a (0,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8c (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 42.7.315 F_Cmm'2' UNI: 36.179 Cmc2_1.1'_A[Fmm2] BNS: 36.179 C_Amc2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8b (1/4,1/4,z;mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) (-1/4,1/4,z;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) 4a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 8b (1/4,0,z;mx,my,0) (3/4,0,z+1/2;-mx,-my,0) (3/4,0,z;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4a (0,3/4,z;mx,0,0) (0,1/4,z+1/2;-mx,0,0) ---------- OG: 42.8.316 F_Cm'm'2 UNI: 37.186 Ccc2.1'_A[Fmm2] BNS: 37.186 C_Acc2 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (-1/4,1/4,z;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,1/2)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) 8c (3/4,y,z;0,my,mz) (1/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (3/4,3/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) ---------- OG: 42.9.317 F_Am'm2' UNI: 39.202 Abm2.1'_B[Fmm2] BNS: 39.202 A_Bbm2 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|1/2,0,1/2) (my|0,0,0) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8d (x,0,z;0,my,0) (-x+1/2,0,z+1/2;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (-x,0,z;0,my,0) 8c (0,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (0,-y,z;0,my,-mz) 8b (1/4,1/4,z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,z+1/2;0,0,mz) 4a (0,0,z;0,my,0) (1/2,0,z+1/2;0,-my,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8d (x,3/4,z;0,my,0) (-x,1/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x+1/2,1/4,z+1/2;0,my,0) 8c (3/4,y,z;0,my,mz) (1/4,-y,z;0,-my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z;0,0,mz) 4a (3/4,3/4,z;0,my,0) (1/4,1/4,z;0,-my,0) ---------- OG: 42.10.318 F_Amm'2' UNI: 40.210 Ama2.1'_B[Fmm2] BNS: 40.210 A_Bma2 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 8b (1/4,1/4,z;0,0,mz) (3/4,-1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,-1/4,z;0,0,mz) 4a (0,0,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8d (x,3/4,z;mx,0,mz) (-x,1/4,z;-mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) (x+1/2,1/4,z;-mx,0,-mz) 8c (3/4,y,z;mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) 8b (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4a (3/4,3/4,z;mx,0,0) (1/4,1/4,z;-mx,0,0) ---------- OG: 42.11.319 F_Am'm'2 UNI: 41.218 Aba2.1'_B[Fmm2] BNS: 41.218 A_Bba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,1/2,0)' (2z|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8d (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8c (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,1/4,z+1/2;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) 4a (0,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) ---------- OG: 43.1.320 Fdd2 UNI: 43.224 Fdd2.1 BNS: 43.224 Fdd2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) 8a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,-mz) ---------- OG: 43.2.321 Fdd21' UNI: 43.225 Fdd2.1' BNS: 43.225 Fdd21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4) (my|1/4,1/4,1/4) (1|0,0,0)' (2z|0,0,0)' (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 16b (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/4,y+1/4,z+1/4;0,0,0) (x+1/4,-y+1/4,z+1/4;0,0,0) 8a (0,0,z;0,0,0) (1/4,1/4,z+1/4;0,0,0) ---------- OG: 43.3.322 Fd'd2' UNI: 43.226 Fd'd2' BNS: 43.226 Fd'd2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (2,0,0)+ (0,2,0)+ (1,0,1)+ (1/2,1,1/2)+ (3/2,0,1/2)+ (1,1,0)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/4,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y+1/4,z+1/4;-mx,my,-mz) 8a (0,0,z;mx,my,0) (1/4,1/4,z+1/4;-mx,my,0) ---------- OG: 43.4.323 Fd'd'2 UNI: 43.227 Fd'd'2 BNS: 43.227 Fd'd'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/4,1/4,1/4)' (my|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (1/2,1/2,1)+ (1/2,3/2,0)+ (0,1,1)+ 16b (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/4,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y+1/4,z+1/4;mx,-my,mz) 8a (0,0,z;0,0,mz) (1/4,1/4,z+1/4;0,0,mz) ---------- OG: 44.1.324 Imm2 UNI: 44.229 Imm2.1 BNS: 44.229 Imm2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 44.2.325 Imm21' UNI: 44.230 Imm2.1' BNS: 44.230 Imm21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8e (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4d (0,y,z;0,0,0) (0,-y,z;0,0,0) 4c (x,0,z;0,0,0) (-x,0,z;0,0,0) 2b (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 44.3.326 Im'm2' UNI: 44.231 Im'm2' BNS: 44.231 Im'm2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,1)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,my,-mz) 4c (x,0,z;0,my,0) (-x,0,z;0,my,0) 2b (0,1/2,z;0,my,0) 2a (0,0,z;0,my,0) ---------- OG: 44.4.327 Im'm'2 UNI: 44.232 Im'm'2 BNS: 44.232 Im'm'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) 2b (0,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- OG: 44.5.328 I_Pmm2 UNI: 25.65 Pmm2.1'_I[Imm2] BNS: 25.65 P_Imm2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 2b (0,1/2,z;0,0,0) (1/2,1,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4d (0,y,z;mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 4c (x,0,z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 44.6.329 I_Pmm'2' UNI: 31.134 Pmn2_1.1'_I[Imm2] BNS: 31.134 P_Imn2_1 OG-BNS transformation: (0,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,0) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-y,z;mx,0,0) 4c (x,0,z;mx,0,mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) 2a (0,0,z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,1/2,1/2)' (2z|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 4d (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-y+1/2,z;mx,0,0) 4c (x,3/4,z;mx,0,mz) (-x+1/2,1/4,z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) 2b (0,1/4,z;mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 2a (0,3/4,z;mx,0,0) (1/2,1/4,z+1/2;-mx,0,0) ---------- OG: 44.7.330 I_Pm'm'2 UNI: 34.164 Pnn2.1'_I[Imm2] BNS: 34.164 P_Inn2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 8e (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4d (0,y,z;0,my,mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 4c (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 2b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 45.1.331 Iba2 UNI: 45.235 Iba2.1 BNS: 45.235 Iba2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 45.2.332 Iba21' UNI: 45.236 Iba2.1' BNS: 45.236 Iba21' Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 45.3.333 Ib'a2' UNI: 45.237 Ib'a2' BNS: 45.237 Ib'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,1)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) 4b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-mx,my,0) ---------- OG: 45.4.334 Ib'a'2 UNI: 45.238 Ib'a'2 BNS: 45.238 Ib'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 45.5.335 I_Pba2 UNI: 27.86 Pcc2.1'_I[Iba2] BNS: 27.86 P_Icc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z+1;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 45.6.336 I_Pba'2' UNI: 29.110 Pca2_1.1'_I[Iba2] BNS: 29.110 P_Ica2_1 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|0,0,1/2) (my|1/2,1/2,1) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (1/2,0,z+1;-mx,my,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,z+1/2;mx,-my,0) (1/2,1/2,z+1;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (3/4,1/4,z;mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z;-mx,my,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,3/4,z+1/2;mx,-my,0) (1/4,1/4,z;-mx,my,0) ---------- OG: 45.7.337 I_Pb'a'2 UNI: 32.143 Pba2.1'_I[Iba2] BNS: 32.143 P_Iba2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 46.1.338 Ima2 UNI: 46.241 Ima2.1 BNS: 46.241 Ima2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) ---------- OG: 46.2.339 Ima21' UNI: 46.242 Ima2.1' BNS: 46.242 Ima21' Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|0,0,0)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y,z;0,0,0) (x+1/2,-y,z;0,0,0) 4b (1/4,y,z;0,0,0) (3/4,-y,z;0,0,0) 4a (0,0,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 46.3.340 Im'a2' UNI: 46.243 Im'a2' BNS: 46.243 Im'a2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0)' (my|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,1)+ (0,-1,0)+ (1,0,0)+ (1,-1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,0,z;-mx,my,0) ---------- OG: 46.4.341 Ima'2' UNI: 46.244 Ima'2' BNS: 46.244 Ima'2' Operators: (1|0,0,0) (2z|0,0,0)' (mx|1/2,0,0) (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,-1,-1)+ (1,0,0)+ (0,0,1)+ (1/2,-1/2,0)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,0,z;mx,-my,0) ---------- OG: 46.5.342 Im'a'2 UNI: 46.245 Im'a'2 BNS: 46.245 Im'a'2 Operators: (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,mz) ---------- OG: 46.6.343 I_Pma2 UNI: 28.98 Pma2.1'_I[Ima2] BNS: 28.98 P_Ima2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1,1/2,1/2)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (-1/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|1/2,0,0) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 4a (0,0,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) ---------- OG: 46.7.344 I_Pm'a2' UNI: 33.155 Pna2_1.1'_I[Ima2] BNS: 33.155 P_Ina2_1 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|1,1/2,1/2) (my|1/2,0,0) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,0,0)' (my|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (1/4,-y+1/2,z+1/2;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z;0,my,-mz) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1,1/2,z+1/2;mx,-my,0) (1/2,0,z;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4b (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z;-mx,my,0) ---------- OG: 46.8.345 I_Pma'2' UNI: 26.77 Pmc2_1.1'_I[Ima2] BNS: 26.77 P_Imc2_1 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2z|1/2,1/2,1/2) (mx|1/2,0,0) (my|1,1/2,1/2) (1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1,1/2,1/2)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;mx,0,0) (1/4,-y+1/2,z+1/2;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (-1/4,-y,z;mx,0,0) 4a (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,0,z;mx,-my,0) (1,1/2,z+1/2;-mx,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4b (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,z;mx,0,0) 4a (3/4,3/4,z;mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) ---------- OG: 46.9.346 I_Pm'a'2 UNI: 30.122 Pnc2.1'_I[Ima2] BNS: 30.122 P_Inc2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (mx|1,1/2,1/2) (my|1,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (-1/4,-y,z;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (5/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (mx|0,1/2,1/2) (my|0,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 4b (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y+1/2,z+1/2;0,my,-mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) ---------- OG: 47.1.347 Pmmm UNI: 47.249 Pmmm.1 BNS: 47.249 Pmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 4x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) 4w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 4v (1/2,y,z;mx,0,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) 4u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 47.2.348 Pmmm1' UNI: 47.250 Pmmm.1' BNS: 47.250 Pmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8alpha (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 4z (x,y,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4y (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 4x (x,1/2,z;0,0,0) (x,1/2,-z;0,0,0) (-x,1/2,-z;0,0,0) (-x,1/2,z;0,0,0) 4w (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 4v (1/2,y,z;0,0,0) (1/2,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) 4u (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 2t (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2s (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 2r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 2q (0,0,z;0,0,0) (0,0,-z;0,0,0) 2p (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 2o (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 2n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 2m (0,y,0;0,0,0) (0,-y,0;0,0,0) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 47.3.349 Pm'mm UNI: 47.251 Pm'mm BNS: 47.251 Pm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 4x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 4w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,my,-mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 2t (1/2,1/2,z;0,my,0) (1/2,1/2,-z;0,-my,0) 2s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) 2r (0,1/2,z;0,my,0) (0,1/2,-z;0,-my,0) 2q (0,0,z;0,my,0) (0,0,-z;0,-my,0) 2p (1/2,y,1/2;0,0,mz) (1/2,-y,1/2;0,0,-mz) 2o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) 2n (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 2m (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 2l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 2k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 2j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 2i (x,0,0;0,0,0) (-x,0,0;0,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 47.4.350 Pm'm'm UNI: 47.252 Pm'm'm BNS: 47.252 Pm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8alpha (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4y (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 4x (x,1/2,z;mx,0,mz) (x,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;-mx,0,mz) 4w (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2s (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 2r (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2p (1/2,y,1/2;0,0,mz) (1/2,-y,1/2;0,0,mz) 2o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,mz) 2n (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 2m (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 2l (x,1/2,1/2;0,0,mz) (-x,1/2,1/2;0,0,mz) 2k (x,1/2,0;0,0,mz) (-x,1/2,0;0,0,mz) 2j (x,0,1/2;0,0,mz) (-x,0,1/2;0,0,mz) 2i (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 1h (1/2,1/2,1/2;0,0,mz) 1g (0,1/2,1/2;0,0,mz) 1f (1/2,1/2,0;0,0,mz) 1e (0,1/2,0;0,0,mz) 1d (1/2,0,1/2;0,0,mz) 1c (0,0,1/2;0,0,mz) 1b (1/2,0,0;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 47.5.351 Pm'm'm' UNI: 47.253 Pm'm'm' BNS: 47.253 Pm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 4z (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 4y (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 4x (x,1/2,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) 4w (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 4v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) 4u (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 2t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2s (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2r (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 2q (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) 2o (1/2,y,0;0,my,0) (1/2,-y,0;0,-my,0) 2n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 2m (0,y,0;0,my,0) (0,-y,0;0,-my,0) 2l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) 2k (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 2j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 2i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 1h (1/2,1/2,1/2;0,0,0) 1g (0,1/2,1/2;0,0,0) 1f (1/2,1/2,0;0,0,0) 1e (0,1/2,0;0,0,0) 1d (1/2,0,1/2;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,0,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 47.6.352 P_2ammm UNI: 47.254 Pmmm.1'_a[Pmmm] BNS: 47.254 P_ammm OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 8z (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1,y,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) 8y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) 8x (x,1/2,z;0,my,0) (x,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (x+1,-1/2,-z;0,my,0) (-x+1,1/2,-z;0,-my,0) (-x+1,-1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,-z;-mx,0,0) (1,y,-z;mx,0,0) (1,-y,z;mx,0,0) 4t (1/2,1/2,z;0,my,0) (1/2,-1/2,-z;0,-my,0) (-1/2,1/2,-z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (1,1/2,z;0,0,0) (1,-1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 4p (1/2,y,1/2;0,0,mz) (1/2,-y,-1/2;0,0,-mz) (-1/2,y,-1/2;0,0,-mz) (-1/2,-y,1/2;0,0,mz) 4o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 4n (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1,y,1/2;0,0,0) (1,-y,-1/2;0,0,0) 4m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y,0;0,0,0) (1,-y,0;0,0,0) 4l (x,1/2,1/2;0,0,0) (-x,1/2,-1/2;0,0,0) (x+1,1/2,1/2;0,0,0) (-x+1,1/2,-1/2;0,0,0) 4k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1,1/2,0;0,0,0) (-x+1,1/2,0;0,0,0) 4j (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1,0,1/2;0,0,0) (-x+1,0,-1/2;0,0,0) 4i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (-x+1,0,0;0,0,0) 2h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2f (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2e (0,1/2,0;0,0,0) (1,1/2,0;0,0,0) 2d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 8y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8x (x,1/2,z;0,my,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 8v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 4t (1/4,1/2,z;0,my,0) (1/4,1/2,-z;0,-my,0) (3/4,1/2,-z;0,my,0) (3/4,1/2,z;0,-my,0) 4s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4p (1/4,y,1/2;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,1/2;0,0,mz) 4o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 4n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 4m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 4l (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 4k (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 4i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) (-x+1/2,0,0;0,0,0) 2h (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2f (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) 2e (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 47.7.353 P_Cmmm UNI: 65.489 Cmmm.1'_a[Pmmm] BNS: 65.489 C_ammm OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 16z (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1,y,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) 16y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) 16x (x,1/2,z;mx,0,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 16v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (1,-y,-z;-mx,0,0) (1,y,-z;mx,0,0) (1,-y,z;mx,0,0) 8t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 8s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 8r (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 8p (1/2,y,1/2;0,0,mz) (1/2,-y,-1/2;0,0,-mz) (-1/2,y,-1/2;0,0,-mz) (-1/2,-y,1/2;0,0,mz) 8o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 8n (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1,y,1/2;0,0,0) (1,-y,-1/2;0,0,0) 8m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y,0;0,0,0) (1,-y,0;0,0,0) 8l (x,1/2,1/2;0,0,mz) (x,-1/2,-1/2;0,0,-mz) (-x,1/2,-1/2;0,0,-mz) (-x,-1/2,1/2;0,0,mz) 8k (x,1/2,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) 8j (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1,0,1/2;0,0,0) (-x+1,0,-1/2;0,0,0) 8i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (-x+1,0,0;0,0,0) 4h (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 4g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 4f (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 4e (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 4d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16z (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 16x (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 16v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 8r (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (0,1/4,-z;-mx,0,0) (0,3/4,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 8p (1/4,y,1/2;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) (3/4,-y,1/2;0,0,mz) 8o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 8n (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) (1/2,-y,0;0,0,0) 8l (x,1/4,1/2;0,0,mz) (x,3/4,1/2;0,0,-mz) (-x,1/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,mz) 8k (x,1/4,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) 8j (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) (-x+1/2,0,0;0,0,0) 4h (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4g (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4f (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 4e (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 4d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 47.8.354 P_Fmmm UNI: 69.526 Fmmm.1'_I[Pmmm] BNS: 69.526 F_Smmm OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (-1|1,1,1)' (mx|1,1,1)' (my|1,1,1)' (mz|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 64alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) (x+1,y+1,-z+1;mx,my,-mz) 32z (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 32y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y+1,1;0,0,-mz) (x+1,-y+1,1;0,0,mz) (-x+1,y+1,1;0,0,mz) (-x+1,-y+1,1;0,0,-mz) 32x (x,1/2,z;mx,0,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 32w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,1,z+1;0,-my,0) (x+1,1,-z+1;0,my,0) (-x+1,1,-z+1;0,-my,0) (-x+1,1,z+1;0,my,0) 32v (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 32u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y+1,z+1;-mx,0,0) (1,-y+1,-z+1;-mx,0,0) (1,y+1,-z+1;mx,0,0) (1,-y+1,z+1;mx,0,0) 16t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z;0,0,-mz) 16s (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (-1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 16r (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) 16q (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,1,z+1;0,0,0) (1,1,-z+1;0,0,0) 16p (1/2,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (-1/2,-y,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 16o (1/2,y,0;0,0,mz) (1/2,-y,0;0,0,-mz) (-1/2,y,0;0,0,-mz) (-1/2,-y,0;0,0,mz) 16n (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 16m (0,y,0;0,0,0) (0,-y,0;0,0,0) (1,y+1,1;0,0,0) (1,-y+1,1;0,0,0) 16l (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (x,-1/2,1/2;-mx,0,0) 16k (x,1/2,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) 16j (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 16i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1,1,1;0,0,0) (-x+1,1,1;0,0,0) 8h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8g (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) 8f (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 8e (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) 8d (1/2,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) 8c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 8b (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 64alpha (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 32z (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 32y (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 32x (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) 32w (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 32v (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) 32u (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 16t (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 16s (1/4,0,z;0,my,0) (1/4,0,-z;0,-my,0) (3/4,0,-z;0,my,0) (3/4,0,z;0,-my,0) 16r (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (0,1/4,-z;-mx,0,0) (0,3/4,z;-mx,0,0) 16q (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 16p (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 16o (1/4,y,0;0,0,mz) (1/4,-y,0;0,0,-mz) (3/4,y,0;0,0,-mz) (3/4,-y,0;0,0,mz) 16n (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 16m (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (x,1/4,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) 16j (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 16i (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8g (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 8f (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8e (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 8b (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 47.9.355 P_2ammm' UNI: 51.298 Pmma.1'_a[Pmmm] BNS: 51.298 P_amma OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (-1|1,0,0) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (1|1,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16alpha (x,y,z;mx,my,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x+1,-y,-1/2;mx,-my,0) (-x+1,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,-1/2;-mx,-my,0) 8y (x,y,0;mx,my,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) 8x (x,1/2,z;0,my,0) (x+1,-1/2,-z;0,-my,0) (-x+1,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (x+1,1/2,z;0,-my,0) (x,-1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1,-1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x+1,0,-z;0,-my,0) (-x+1,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1,0,z;0,my,0) 8v (1/2,y,z;0,my,mz) (3/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (3/2,y,-z;0,-my,mz) 8u (0,y,z;mx,0,0) (1,-y,-z;mx,0,0) (1,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1,y,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1,-y,z;mx,0,0) 4t (1/2,1/2,z;0,my,0) (3/2,-1/2,-z;0,-my,0) (1/2,1/2,-z;0,my,0) (-1/2,-1/2,z;0,-my,0) 4s (1/2,0,z;0,my,0) (3/2,0,-z;0,-my,0) (1/2,0,-z;0,my,0) (-1/2,0,z;0,-my,0) 4r (0,1/2,z;0,0,0) (1,-1/2,-z;0,0,0) (1,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) 4q (0,0,z;0,0,0) (1,0,-z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) 4p (1/2,y,1/2;0,my,0) (3/2,-y,-1/2;0,-my,0) (1/2,-y,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 4o (1/2,y,0;0,my,0) (3/2,-y,0;0,-my,0) (1/2,-y,0;0,my,0) (-1/2,y,0;0,-my,0) 4n (0,y,1/2;mx,0,0) (1,-y,-1/2;mx,0,0) (1,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 4m (0,y,0;mx,0,0) (1,-y,0;mx,0,0) (1,y,0;-mx,0,0) (0,-y,0;-mx,0,0) 4l (x,1/2,1/2;0,my,0) (x+1,-1/2,-1/2;0,-my,0) (-x+1,1/2,-1/2;0,my,0) (-x,-1/2,1/2;0,-my,0) 4k (x,1/2,0;0,my,0) (x+1,-1/2,0;0,-my,0) (-x+1,1/2,0;0,my,0) (-x,-1/2,0;0,-my,0) 4j (x,0,1/2;0,my,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 4i (x,0,0;0,my,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) 2h (1/2,1/2,1/2;0,my,0) (3/2,-1/2,-1/2;0,-my,0) 2g (0,1/2,1/2;0,0,0) (1,-1/2,-1/2;0,0,0) 2f (1/2,1/2,0;0,my,0) (3/2,-1/2,0;0,-my,0) 2e (0,1/2,0;0,0,0) (1,-1/2,0;0,0,0) 2d (1/2,0,1/2;0,my,0) (3/2,0,-1/2;0,-my,0) 2c (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2b (1/2,0,0;0,my,0) (3/2,0,0;0,-my,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,0,0)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 8y (x,y,0;mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 8x (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 8w (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,z;0,-my,0) (x,0,-z;0,my,0) (-x+1/2,0,-z;0,-my,0) (-x,0,z;0,my,0) 8v (0,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y,z;0,-my,-mz) (0,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (3/4,y,z;mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y,z;-mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 4t (0,1/2,z;0,my,0) (1/2,1/2,-z;0,-my,0) (0,1/2,-z;0,my,0) (1/2,1/2,z;0,-my,0) 4s (0,0,z;0,my,0) (1/2,0,-z;0,-my,0) (0,0,-z;0,my,0) (1/2,0,z;0,-my,0) 4r (3/4,1/2,z;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4q (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 4p (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4o (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) 4n (3/4,y,1/2;mx,0,0) (1/4,-y,1/2;mx,0,0) (1/4,y,1/2;-mx,0,0) (3/4,-y,1/2;-mx,0,0) 4m (3/4,y,0;mx,0,0) (1/4,-y,0;mx,0,0) (1/4,y,0;-mx,0,0) (3/4,-y,0;-mx,0,0) 4l (x,1/2,1/2;0,my,0) (x+1/2,1/2,1/2;0,-my,0) (-x,1/2,1/2;0,my,0) (-x+1/2,1/2,1/2;0,-my,0) 4k (x,1/2,0;0,my,0) (x+1/2,1/2,0;0,-my,0) (-x,1/2,0;0,my,0) (-x+1/2,1/2,0;0,-my,0) 4j (x,0,1/2;0,my,0) (x+1/2,0,1/2;0,-my,0) (-x,0,1/2;0,my,0) (-x+1/2,0,1/2;0,-my,0) 4i (x,0,0;0,my,0) (x+1/2,0,0;0,-my,0) (-x,0,0;0,my,0) (-x+1/2,0,0;0,-my,0) 2h (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2g (3/4,1/2,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) 2f (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2e (3/4,1/2,0;0,0,0) (1/4,1/2,0;0,0,0) 2d (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2c (3/4,0,1/2;0,0,0) (1/4,0,1/2;0,0,0) 2b (0,0,0;0,my,0) (1/2,0,0;0,-my,0) 2a (3/4,0,0;0,0,0) (1/4,0,0;0,0,0) ---------- OG: 47.10.356 P_2cm'm'm UNI: 49.273 Pccm.1'_c[Pmmm] BNS: 49.273 P_cccm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16alpha (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8z (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8y (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 8x (x,1/2,z;mx,0,mz) (x,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 8w (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z+1;0,-my,-mz) (-1/2,y,-z+1;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y,-z;0,my,mz) (-1/2,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 4t (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 4s (1/2,0,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (-1/2,0,-z;0,0,mz) (-1/2,0,z+1;0,0,-mz) 4r (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 4q (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4p (1/2,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (-1/2,-y,-1/2;0,my,0) (-1/2,y,3/2;0,-my,0) 4o (1/2,y,0;0,0,mz) (1/2,-y,1;0,0,-mz) (-1/2,y,1;0,0,-mz) (-1/2,-y,0;0,0,mz) 4n (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 4m (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 4l (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (x,-1/2,3/2;-mx,0,0) 4k (x,1/2,0;0,0,mz) (x,-1/2,1;0,0,-mz) (-x,1/2,1;0,0,-mz) (-x,-1/2,0;0,0,mz) 4j (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 4i (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 2h (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2g (0,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 2f (1/2,1/2,0;0,0,mz) (1/2,-1/2,1;0,0,-mz) 2e (0,1/2,0;0,0,mz) (0,-1/2,1;0,0,-mz) 2d (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16alpha (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8z (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8y (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 8x (x,1/2,z;mx,0,mz) (x,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) 8w (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8v (1/2,y,z;0,my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z;0,-my,mz) (1/2,-y,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 8u (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 4t (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4s (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4r (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4q (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4p (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4o (1/2,y,0;0,0,mz) (1/2,-y,1/2;0,0,-mz) (1/2,y,1/2;0,0,-mz) (1/2,-y,0;0,0,mz) 4n (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 4m (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4l (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) 4k (x,1/2,0;0,0,mz) (x,1/2,1/2;0,0,-mz) (-x,1/2,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) 4j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 4i (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2e (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2d (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 47.11.357 P_Cmmm' UNI: 67.509 Cmma.1'_a[Pmmm] BNS: 67.509 C_amma OG-BNS transformation: (1/2,0,0;2b,-2a,c) Operators (OG): (1|0,0,0) (2x|0,1,0) (2y|0,1,0) (2z|0,0,0) (-1|0,1,0) (mx|0,0,0) (my|0,0,0) (mz|0,1,0) (1|0,1,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,1,0)' (-1|0,0,0)' (mx|0,1,0)' (my|0,1,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (-2,0,0)+ (0,0,1)+ (-1,1,0)+ 32alpha (x,y,z;mx,my,mz) (x,-y+1,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16z (x,y,1/2;mx,my,0) (x,-y+1,-1/2;mx,-my,0) (-x,y+1,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y+1,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y+1,-1/2;-mx,-my,0) 16y (x,y,0;mx,my,0) (x,-y+1,0;mx,-my,0) (-x,y+1,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x,-y+1,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x,y+1,0;-mx,-my,0) 16x (x,1/2,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,3/2,-z;-mx,0,mz) 16w (x,0,z;0,my,0) (x,1,-z;0,-my,0) (-x,1,-z;0,my,0) (-x,0,z;0,-my,0) (x,1,z;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,1,z;0,my,0) 16v (1/2,y,z;0,my,mz) (1/2,-y+1,-z;0,-my,-mz) (-1/2,y+1,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (-1/2,-y+1,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y+1,-z;0,-my,mz) 16u (0,y,z;mx,0,0) (0,-y+1,-z;mx,0,0) (0,y+1,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y+1,z;mx,0,0) 8t (1/2,1/2,z;0,0,mz) (-1/2,3/2,-z;0,0,-mz) (-1/2,1/2,-z;0,0,mz) (1/2,-1/2,z;0,0,-mz) 8s (1/2,0,z;0,my,0) (1/2,1,-z;0,-my,0) (-1/2,1,-z;0,my,0) (-1/2,0,z;0,-my,0) 8r (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) (0,3/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) 8q (0,0,z;0,0,0) (0,1,-z;0,0,0) (0,1,z;0,0,0) (0,0,-z;0,0,0) 8p (1/2,y,1/2;0,my,0) (1/2,-y+1,-1/2;0,-my,0) (-1/2,-y+1,-1/2;0,my,0) (-1/2,y,1/2;0,-my,0) 8o (1/2,y,0;0,my,0) (1/2,-y+1,0;0,-my,0) (-1/2,-y+1,0;0,my,0) (-1/2,y,0;0,-my,0) 8n (0,y,1/2;mx,0,0) (0,-y+1,-1/2;mx,0,0) (0,y+1,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8m (0,y,0;mx,0,0) (0,-y+1,0;mx,0,0) (0,y+1,0;-mx,0,0) (0,-y,0;-mx,0,0) 8l (x,1/2,1/2;mx,0,0) (-x,3/2,-1/2;-mx,0,0) (-x,1/2,-1/2;mx,0,0) (x,-1/2,1/2;-mx,0,0) 8k (x,1/2,0;mx,0,0) (-x,3/2,0;-mx,0,0) (-x,1/2,0;mx,0,0) (x,-1/2,0;-mx,0,0) 8j (x,0,1/2;0,my,0) (x,1,-1/2;0,-my,0) (-x,1,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 8i (x,0,0;0,my,0) (x,1,0;0,-my,0) (-x,1,0;0,my,0) (-x,0,0;0,-my,0) 4h (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 4g (0,1/2,1/2;mx,0,0) (0,3/2,-1/2;-mx,0,0) 4f (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4e (0,1/2,0;mx,0,0) (0,3/2,0;-mx,0,0) 4d (1/2,0,1/2;0,my,0) (1/2,1,-1/2;0,-my,0) 4c (0,0,1/2;0,0,0) (0,1,-1/2;0,0,0) 4b (1/2,0,0;0,my,0) (1/2,1,0;0,-my,0) 4a (0,0,0;0,0,0) (0,1,0;0,0,0) Operators (BNS): (1|0,0,0) (2y|1/2,0,0) (2x|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (my|1/2,0,0) (mx|0,0,0) (mz|1/2,0,0) (1|1/2,0,0)' (2y|0,0,0)' (2x|1/2,0,0)' (2z|0,0,0)' (-1|1/2,0,0)' (my|0,0,0)' (mx|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32alpha (x,y,z;mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,-y,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x,y,-z;mx,my,-mz) 16z (x,y,1/2;mx,my,0) (-x+1/2,y,1/2;-mx,my,0) (x,-y,1/2;mx,-my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (x+1/2,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (x+1/2,y,1/2;-mx,-my,0) 16y (x,y,0;mx,my,0) (-x+1/2,y,0;-mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (x+1/2,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,y,0;-mx,-my,0) 16x (1/4,y,z;0,my,mz) (1/4,y,-z;0,my,-mz) (1/4,-y,-z;0,-my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,-y,z;0,my,-mz) (3/4,y,z;0,-my,-mz) (3/4,y,-z;0,-my,mz) 16w (0,y,z;mx,0,0) (1/2,y,-z;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y,z;-mx,0,0) (0,y,-z;mx,0,0) (1/2,-y,-z;-mx,0,0) (0,-y,z;mx,0,0) 16v (x,0,z;mx,0,mz) (-x+1/2,0,-z;-mx,0,-mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (x+1/2,0,z;-mx,0,-mz) (-x,0,z;mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 16u (x,1/4,z;0,my,0) (-x+1/2,1/4,-z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,3/4,z;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x,1/4,-z;0,-my,0) (x+1/2,3/4,-z;0,my,0) (-x,3/4,z;0,my,0) 8t (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) 8s (0,0,z;mx,0,0) (1/2,0,-z;-mx,0,0) (0,0,-z;mx,0,0) (1/2,0,z;-mx,0,0) 8r (1/4,1/4,z;0,my,0) (1/4,1/4,-z;0,my,0) (1/4,3/4,-z;0,-my,0) (1/4,3/4,z;0,-my,0) 8q (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (1/2,1/4,z;0,0,0) (1/2,3/4,-z;0,0,0) 8p (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8o (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) 8n (x,1/4,1/2;0,my,0) (-x+1/2,1/4,1/2;0,my,0) (x,3/4,1/2;0,-my,0) (-x+1/2,3/4,1/2;0,-my,0) 8m (x,1/4,0;0,my,0) (-x+1/2,1/4,0;0,my,0) (x,3/4,0;0,-my,0) (-x+1/2,3/4,0;0,-my,0) 8l (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y,1/2;0,-my,0) 8k (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) 8j (0,y,1/2;mx,0,0) (1/2,y,1/2;-mx,0,0) (0,-y,1/2;mx,0,0) (1/2,-y,1/2;-mx,0,0) 8i (0,y,0;mx,0,0) (1/2,y,0;-mx,0,0) (0,-y,0;mx,0,0) (1/2,-y,0;-mx,0,0) 4h (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4g (1/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,-my,0) 4f (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) 4e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;-mx,0,0) 4c (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4b (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) ---------- OG: 48.1.358 Pnnn UNI: 48.257 Pnnn.1 BNS: 48.257 Pnnn Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 4j (3/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (1/4,y+1/2,3/4;0,-my,0) 4i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 4f (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 4e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 48.2.359 Pnnn1' UNI: 48.258 Pnnn.1' BNS: 48.258 Pnnn1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4l (1/4,3/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4j (3/4,y,1/4;0,0,0) (3/4,-y+1/2,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (1/4,y+1/2,3/4;0,0,0) 4i (1/4,y,1/4;0,0,0) (1/4,-y+1/2,1/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y+1/2,3/4;0,0,0) 4h (x,1/4,3/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (-x,3/4,1/4;0,0,0) (x+1/2,3/4,1/4;0,0,0) 4g (x,1/4,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 48.3.360 Pn'nn UNI: 48.259 Pn'nn BNS: 48.259 Pn'nn Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) 4j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 4i (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,mz) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;mx,0,0) (3/4,1/4,3/4;-mx,0,0) 2c (1/4,1/4,3/4;mx,0,0) (3/4,3/4,1/4;-mx,0,0) 2b (3/4,1/4,1/4;mx,0,0) (1/4,3/4,3/4;-mx,0,0) 2a (1/4,1/4,1/4;mx,0,0) (3/4,3/4,3/4;-mx,0,0) ---------- OG: 48.4.361 Pn'n'n UNI: 48.260 Pn'n'n BNS: 48.260 Pn'n'n Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,1,0)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) 4j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;-mx,0,mz) 4i (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y+1/2,3/4;-mx,0,mz) 4h (x,1/4,3/4;0,my,mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (x+1/2,3/4,1/4;0,-my,mz) 4g (x,1/4,1/4;0,my,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x+1/2,3/4,3/4;0,-my,mz) 4f (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 4e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (0,0,1/2;-mx,-my,mz) 2d (1/4,3/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) 2c (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) ---------- OG: 48.5.362 Pn'n'n' UNI: 48.261 Pn'n'n' BNS: 48.261 Pn'n'n' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 4j (3/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 4i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y+1/2,3/4;0,my,0) 4h (x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 4g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,3/4,3/4;mx,0,0) 4f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 48.6.363 P_Fnnn UNI: 70.532 Fddd.1'_I[Pnnn] BNS: 70.532 F_Sddd OG-BNS transformation: (-3/2,-3/2,-3/2;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|1,1,1) (mx|1,3/2,3/2) (my|3/2,1,3/2) (mz|3/2,3/2,1) (1|1,1,1)' (2x|1,3/2,3/2)' (2y|3/2,1,3/2)' (2z|3/2,3/2,1)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 64m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1,-y+1,-z+1;mx,my,mz) (-x+1,y+3/2,z+3/2;mx,-my,-mz) (x+3/2,-y+1,z+3/2;-mx,my,-mz) (x+3/2,y+3/2,-z+1;-mx,-my,mz) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+3/2,-z+3/2;-mx,my,mz) (-x+3/2,y+1,-z+3/2;mx,-my,mz) (-x+3/2,-y+3/2,z+1;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 32l (1/4,3/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,-1/4,z;-mx,-my,0) (3/4,1/4,-z+1;mx,my,0) (3/4,9/4,z+3/2;mx,-my,0) (7/4,1/4,z+3/2;-mx,my,0) (7/4,9/4,-z+1;-mx,-my,0) 32k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z+1;0,0,mz) (3/4,7/4,z+3/2;0,0,-mz) (5/4,5/4,z+1;0,0,-mz) (5/4,5/4,-z+3/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,3/4,z+1/2;0,0,mz) 32j (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (-1/4,y,1/4;-mx,0,-mz) (-1/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y+1,3/4;mx,0,mz) (1/4,y+3/2,7/4;mx,0,-mz) (9/4,-y+1,7/4;-mx,0,-mz) (9/4,y+3/2,3/4;-mx,0,mz) 32i (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y+1,3/4;0,my,0) (3/4,y+3/2,7/4;0,-my,0) (5/4,y+1,5/4;0,-my,0) (5/4,-y+3/2,5/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y+1/2,3/4;0,my,0) 32h (x,1/4,3/4;0,my,mz) (x,1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,-1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x+1,3/4,1/4;0,my,mz) (-x+1,7/4,9/4;0,-my,-mz) (x+3/2,3/4,9/4;0,my,-mz) (x+3/2,7/4,1/4;0,-my,mz) 32g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x+1,3/4,3/4;mx,0,0) (x+3/2,3/4,7/4;-mx,0,0) (x+1,5/4,5/4;-mx,0,0) (-x+3/2,5/4,5/4;mx,0,0) (-x,-1/4,-1/4;-mx,0,0) (x+1/2,-1/4,3/4;mx,0,0) 32f (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1,1,1;0,0,0) (1,3/2,3/2;0,0,0) (3/2,1,3/2;0,0,0) (3/2,3/2,1;0,0,0) 32e (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (3/2,3/2,3/2;-mx,-my,-mz) (3/2,1,1;-mx,my,mz) (1,3/2,1;mx,-my,mz) (1,1,3/2;mx,my,-mz) 16d (1/4,3/4,1/4;0,my,0) (1/4,-1/4,1/4;0,-my,0) (3/4,1/4,3/4;0,my,0) (3/4,9/4,7/4;0,-my,0) 16c (1/4,1/4,3/4;0,0,mz) (1/4,1/4,-1/4;0,0,-mz) (3/4,3/4,1/4;0,0,mz) (3/4,7/4,9/4;0,0,-mz) 16b (3/4,1/4,1/4;mx,0,0) (-1/4,1/4,1/4;-mx,0,0) (1/4,3/4,3/4;mx,0,0) (9/4,3/4,7/4;-mx,0,0) 16a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (5/4,5/4,5/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (1|0,0,1/2)' (2x|1/2,1/4,1/4)' (2y|1/4,1/2,1/4)' (2z|1/4,1/4,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,3/4,3/4)' (my|3/4,1/2,3/4)' (mz|3/4,3/4,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 64m (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/4,-z+1/4;-mx,my,mz) (-x+1/4,y+1/2,-z+1/4;mx,-my,mz) (-x+1/4,-y+1/4,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+3/4,z+3/4;-mx,my,mz) (x+3/4,-y+1/2,z+3/4;mx,-my,mz) (x+3/4,y+3/4,-z+1/2;mx,my,-mz) 32l (7/8,1/8,z;mx,my,0) (7/8,5/8,-z+3/4;mx,-my,0) (7/8,1/8,-z+3/4;-mx,my,0) (7/8,5/8,z;-mx,-my,0) (1/8,7/8,-z;mx,my,0) (1/8,3/8,z+1/4;mx,-my,0) (1/8,7/8,z+1/4;-mx,my,0) (1/8,3/8,-z;-mx,-my,0) 32k (7/8,7/8,z;0,0,mz) (7/8,7/8,-z+3/4;0,0,-mz) (1/8,1/8,-z;0,0,mz) (1/8,1/8,z+1/4;0,0,-mz) (7/8,7/8,z+1/2;0,0,-mz) (3/8,3/8,-z+1/4;0,0,mz) (5/8,5/8,-z+1/2;0,0,-mz) (5/8,5/8,z+3/4;0,0,mz) 32j (1/8,y,7/8;mx,0,mz) (1/8,-y+3/4,7/8;mx,0,-mz) (5/8,y,7/8;-mx,0,-mz) (5/8,-y+3/4,7/8;-mx,0,mz) (7/8,-y,1/8;mx,0,mz) (7/8,y+1/4,1/8;mx,0,-mz) (3/8,-y,1/8;-mx,0,-mz) (3/8,y+1/4,1/8;-mx,0,mz) 32i (7/8,y,7/8;0,my,0) (7/8,-y+3/4,7/8;0,-my,0) (1/8,-y,1/8;0,my,0) (1/8,y+1/4,1/8;0,-my,0) (7/8,y,3/8;0,-my,0) (3/8,-y+1/4,3/8;0,my,0) (5/8,-y+1/2,5/8;0,-my,0) (5/8,y+3/4,5/8;0,my,0) 32h (x,7/8,1/8;0,my,mz) (x,7/8,5/8;0,-my,-mz) (-x+3/4,7/8,5/8;0,my,-mz) (-x+3/4,7/8,1/8;0,-my,mz) (-x,1/8,7/8;0,my,mz) (-x,1/8,3/8;0,-my,-mz) (x+1/4,1/8,3/8;0,my,-mz) (x+1/4,1/8,7/8;0,-my,mz) 32g (x,7/8,7/8;mx,0,0) (-x+3/4,7/8,7/8;-mx,0,0) (-x,1/8,1/8;mx,0,0) (x+1/4,1/8,1/8;-mx,0,0) (x,7/8,3/8;-mx,0,0) (-x+1/4,3/8,3/8;mx,0,0) (-x+1/2,5/8,5/8;-mx,0,0) (x+3/4,5/8,5/8;mx,0,0) 32f (3/4,3/4,3/4;0,0,0) (3/4,0,0;0,0,0) (0,3/4,0;0,0,0) (0,0,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) 32e (0,0,0;mx,my,mz) (0,3/4,3/4;mx,-my,-mz) (3/4,0,3/4;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/4,1/4;-mx,my,mz) (1/4,1/2,1/4;mx,-my,mz) (1/4,1/4,1/2;mx,my,-mz) 16d (7/8,1/8,7/8;0,my,0) (7/8,5/8,7/8;0,-my,0) (1/8,7/8,1/8;0,my,0) (1/8,3/8,1/8;0,-my,0) 16c (7/8,7/8,1/8;0,0,mz) (7/8,7/8,5/8;0,0,-mz) (1/8,1/8,7/8;0,0,mz) (1/8,1/8,3/8;0,0,-mz) 16b (1/8,7/8,7/8;mx,0,0) (5/8,7/8,7/8;-mx,0,0) (7/8,1/8,1/8;mx,0,0) (3/8,1/8,1/8;-mx,0,0) 16a (7/8,7/8,7/8;0,0,0) (1/8,1/8,1/8;0,0,0) (7/8,7/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 49.1.364 Pccm UNI: 49.265 Pccm.1 BNS: 49.265 Pccm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 49.2.365 Pccm1' UNI: 49.266 Pccm.1' BNS: 49.266 Pccm1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8r (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 4q (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 4p (1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4o (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 4n (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4m (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4l (1/2,y,1/4;0,0,0) (1/2,-y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) (1/2,y,3/4;0,0,0) 4k (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 4j (x,1/2,1/4;0,0,0) (-x,1/2,1/4;0,0,0) (-x,1/2,3/4;0,0,0) (x,1/2,3/4;0,0,0) 4i (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 49.3.366 Pc'cm UNI: 49.267 Pc'cm BNS: 49.267 Pc'cm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 4p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,0,-z;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4o (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 4n (1/2,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 4m (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;mx,0,0) (-x,1/2,3/4;-mx,0,0) (x,1/2,3/4;-mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 2h (1/2,1/2,1/4;mx,0,0) (1/2,1/2,3/4;-mx,0,0) 2g (0,1/2,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) 2f (1/2,0,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 2e (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 49.4.367 Pccm' UNI: 49.268 Pccm' BNS: 49.268 Pccm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 2h (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2g (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 2f (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 49.5.368 Pc'c'm UNI: 49.269 Pc'c'm BNS: 49.269 Pc'c'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4q (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (1/2,-y,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 4k (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (x,1/2,3/4;0,-my,mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 2h (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2g (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 2f (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 49.6.369 Pc'cm' UNI: 49.270 Pc'cm' BNS: 49.270 Pc'cm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2) (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;mx,my,0) 4p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;-mx,my,0) (1/2,0,-z;mx,my,0) (1/2,0,z+1/2;-mx,my,0) 4o (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;-mx,my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) 4n (1/2,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,-z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) 4m (0,0,z;mx,my,0) (0,0,-z+1/2;-mx,my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;-mx,my,0) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,my,0) (1/2,y,3/4;0,my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,my,0) 4j (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,my,mz) (x,1/2,3/4;0,my,-mz) 4i (x,0,1/4;0,my,mz) (-x,0,1/4;0,my,-mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,my,-mz) 2h (1/2,1/2,1/4;0,my,0) (1/2,1/2,3/4;0,my,0) 2g (0,1/2,1/4;0,my,0) (0,1/2,3/4;0,my,0) 2f (1/2,0,1/4;0,my,0) (1/2,0,3/4;0,my,0) 2e (0,0,1/4;0,my,0) (0,0,3/4;0,my,0) 2d (1/2,0,0;mx,my,0) (1/2,0,1/2;-mx,my,0) 2c (0,1/2,0;mx,my,0) (0,1/2,1/2;-mx,my,0) 2b (1/2,1/2,0;mx,my,0) (1/2,1/2,1/2;-mx,my,0) 2a (0,0,0;mx,my,0) (0,0,1/2;-mx,my,0) ---------- OG: 49.7.370 Pc'c'm' UNI: 49.271 Pc'c'm' BNS: 49.271 Pc'c'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4q (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 4p (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4n (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4l (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 4k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 4j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (x,1/2,3/4;mx,0,0) 4i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 2h (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2f (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 49.8.371 P_2accm UNI: 49.272 Pccm.1'_a[Pccm] BNS: 49.272 P_accm OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 8q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) 8p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z+1/2;0,0,mz) (1,-1/2,-z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z+1/2;mx,-my,0) (-1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,-1/2,-z;mx,my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (-1/2,-y,-1/4;mx,0,mz) (-1/2,y,3/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (1,-y,-1/4;0,-my,0) (1,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,-1/2,-1/4;mx,0,0) (x,-1/2,3/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x+1,1/2,1/4;mx,0,0) (-x+1,-1/2,-1/4;-mx,0,0) (x+1,-1/2,3/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (x+1,0,3/4;mx,0,0) 4h (1/2,1/2,1/4;mx,0,0) (-1/2,1/2,1/4;-mx,0,0) (-1/2,-1/2,-1/4;mx,0,0) (1/2,-1/2,3/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1,1/2,1/4;0,0,0) (1,-1/2,-1/4;0,0,0) 4f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (-1/2,0,-1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 4c (0,1/2,0;0,0,mz) (0,-1/2,1/2;0,0,-mz) (1,1/2,0;0,0,-mz) (1,-1/2,1/2;0,0,mz) 4b (1/2,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 8p (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8n (1/4,1/2,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,1/2,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8l (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) (-x+1/2,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x+1/2,0,3/4;mx,0,0) 4h (1/4,1/2,1/4;mx,0,0) (3/4,1/2,1/4;-mx,0,0) (3/4,1/2,3/4;mx,0,0) (1/4,1/2,3/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4f (1/4,0,1/4;mx,0,0) (3/4,0,1/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) ---------- OG: 49.9.372 P_Cccm UNI: 66.499 Cccm.1'_a[Pccm] BNS: 66.499 C_accm OG-BNS transformation: (0,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 16q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) 16p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 16o (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) 16n (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 16l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (-1/2,-y,-1/4;mx,0,mz) (-1/2,y,3/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (1,-y,-1/4;0,-my,0) (1,y,3/4;0,my,0) 16j (x,1/2,1/4;0,my,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (-x,-1/2,-1/4;0,my,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) 16i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (x+1,0,3/4;mx,0,0) 8h (1/2,1/2,1/4;0,0,mz) (1/2,-1/2,1/4;0,0,-mz) (-1/2,-1/2,-1/4;0,0,mz) (-1/2,1/2,3/4;0,0,-mz) 8g (0,1/2,1/4;0,my,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (0,1/2,3/4;0,-my,0) 8f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (-1/2,0,-1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 8e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 8d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 8c (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) 8b (1/2,1/2,0;0,0,mz) (1/2,-1/2,1/2;0,0,-mz) (3/2,1/2,0;0,0,-mz) (3/2,-1/2,1/2;0,0,mz) 8a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,0,0)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,0)' (-1|1/2,0,0)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16q (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,0;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,0;0,0,-mz) 16p (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,-z;-mx,-my,0) 16o (0,1/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) (0,1/4,-z;-mx,-my,0) 16n (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 16l (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (3/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 16j (x,1/4,1/4;0,my,mz) (x,3/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 16i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) (-x+1/2,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (x+1/2,0,3/4;mx,0,0) 8h (1/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) 8g (0,1/4,1/4;0,my,0) (0,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (0,1/4,3/4;0,-my,0) 8f (1/4,0,1/4;mx,0,0) (3/4,0,1/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (1/4,0,3/4;-mx,0,0) 8e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 8d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) 8c (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,0;0,0,0) 8b (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,mz) 8a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) ---------- OG: 49.10.373 P_2accm' UNI: 54.346 Pcca.1'_a[Pccm] BNS: 54.346 P_acca OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,0;mx,my,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) 8p (1/2,0,z;mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (3/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (1,-1/2,-z+1/2;0,0,-mz) (1,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (3/2,-1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (1/2,-1/2,-z;mx,my,0) (-1/2,1/2,z+1/2;mx,-my,0) (1/2,-1/2,z+1/2;-mx,my,0) (3/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;0,my,0) (3/2,-y,1/4;0,-my,0) (1/2,-y,-1/4;0,my,0) (-1/2,y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (-1/2,-y,-1/4;0,-my,0) (1/2,y,3/4;0,my,0) 8k (0,y,1/4;mx,0,mz) (1,-y,1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1,-y,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1,y,-1/4;-mx,0,mz) 8j (x,1/2,1/4;0,my,mz) (x+1,-1/2,1/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (-x+1,-1/2,-1/4;0,my,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x+1,1/2,-1/4;0,-my,mz) 8i (x,0,1/4;0,my,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1,0,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) 4h (1/2,1/2,1/4;0,my,0) (3/2,-1/2,1/4;0,-my,0) (1/2,-1/2,-1/4;0,my,0) (-1/2,1/2,3/4;0,-my,0) 4g (0,1/2,1/4;0,0,mz) (1,-1/2,1/4;0,0,-mz) (1,-1/2,-1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4f (1/2,0,1/4;0,my,0) (3/2,0,1/4;0,-my,0) (1/2,0,-1/4;0,my,0) (-1/2,0,3/4;0,-my,0) 4e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4d (1/2,0,0;mx,my,0) (3/2,0,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (-1/2,0,0;-mx,-my,0) 4c (0,1/2,0;0,0,0) (1,-1/2,1/2;0,0,0) (1,-1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (1/2,1/2,0;mx,my,0) (3/2,-1/2,1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (-1/2,-1/2,0;-mx,-my,0) 4a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|1/2,0,0)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|0,0,0)' (-1|1/2,0,0)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,0;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 8p (0,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,0,z;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 8o (3/4,1/2,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8n (0,1/2,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8m (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8l (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8k (3/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 8j (x,1/2,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) (x+1/2,1/2,3/4;0,-my,mz) 8i (x,0,1/4;0,my,mz) (x+1/2,0,1/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 4h (0,1/2,1/4;0,my,0) (1/2,1/2,1/4;0,-my,0) (0,1/2,3/4;0,my,0) (1/2,1/2,3/4;0,-my,0) 4g (3/4,1/2,1/4;0,0,mz) (1/4,1/2,1/4;0,0,-mz) (1/4,1/2,3/4;0,0,mz) (3/4,1/2,3/4;0,0,-mz) 4f (0,0,1/4;0,my,0) (1/2,0,1/4;0,-my,0) (0,0,3/4;0,my,0) (1/2,0,3/4;0,-my,0) 4e (3/4,0,1/4;0,0,mz) (1/4,0,1/4;0,0,-mz) (1/4,0,3/4;0,0,mz) (3/4,0,3/4;0,0,-mz) 4d (0,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) 4c (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4b (0,1/2,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (1/2,1/2,0;-mx,-my,0) 4a (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) ---------- OG: 49.11.374 P_2ac'c'm UNI: 53.332 Pmna.1'_c[Pmaa] BNS: 53.332 P_cmna OG-BNS transformation: (0,0,0;c,-b,2a) Operators (OG): (1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1,0,1/2) (my|1,0,1/2) (mz|0,0,0) (1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (2,0,0)+ 16r (x,y,z;mx,my,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) 8q (x,y,0;0,0,mz) (x+1,-y,1/2;0,0,-mz) (-x+1,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) 8p (1/2,0,z;mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (-1/2,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1,-1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1,-1/2,-z;0,0,-mz) (0,-1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (3/2,-1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (-1/2,-1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (3/2,-1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;0,my,0) (-1/2,-y,1/4;0,-my,0) (-1/2,-y,-1/4;0,my,0) (1/2,y,-1/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (1/2,-y,-1/4;0,-my,0) (3/2,y,-1/4;0,my,0) 8k (0,y,1/4;mx,0,mz) (1,-y,1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (1,y,3/4;mx,0,-mz) (1,-y,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8j (x,1/2,1/4;0,my,mz) (x+1,-1/2,1/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (-x,-1/2,-1/4;0,my,mz) (-x+1,1/2,3/4;0,-my,-mz) (x+1,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) 8i (x,0,1/4;0,my,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1,0,3/4;0,-my,-mz) (x+1,0,3/4;0,my,-mz) (x,0,-1/4;0,-my,mz) 4h (1/2,1/2,1/4;0,my,0) (-1/2,-1/2,1/4;0,-my,0) (-1/2,-1/2,-1/4;0,my,0) (1/2,1/2,-1/4;0,-my,0) 4g (0,1/2,1/4;0,0,mz) (1,1/2,1/4;0,0,-mz) (0,-1/2,-1/4;0,0,mz) (1,-1/2,3/4;0,0,-mz) 4f (1/2,0,1/4;0,my,0) (-1/2,0,1/4;0,-my,0) (-1/2,0,-1/4;0,my,0) (1/2,0,-1/4;0,-my,0) 4e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1,0,3/4;0,0,-mz) 4d (1/2,0,0;0,0,0) (3/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 4c (0,1/2,0;0,0,mz) (1,1/2,1/2;0,0,-mz) (1,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4b (1/2,1/2,0;0,0,0) (3/2,-1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) 4a (0,0,0;0,0,mz) (1,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (0,0,1/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2y|1/2,0,1/2) (2x|0,0,0) (-1|0,0,0) (mz|1/2,0,1/2) (my|1/2,0,1/2) (mx|0,0,0) (1|0,0,1/2)' (2z|1/2,0,0)' (2y|1/2,0,0)' (2x|0,0,1/2)' (-1|0,0,1/2)' (mz|1/2,0,0)' (my|1/2,0,0)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8q (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) (1/2,y,-z;mx,0,0) (0,-y,-z+1/2;-mx,0,0) 8p (x,0,1/4;0,my,mz) (-x+1/2,0,3/4;0,-my,mz) (-x+1/2,0,1/4;0,my,-mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,mz) (x+1/2,0,1/4;0,-my,mz) (x+1/2,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,-mz) 8o (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;mx,0,0) 8n (x,1/2,1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x+1/2,1/2,1/4;0,my,-mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,mz) (x+1/2,1/2,3/4;0,my,-mz) (-x,1/2,1/4;0,-my,-mz) 8m (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 8l (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y,3/4;0,-my,0) (1/4,-y,1/4;0,my,0) (3/4,-y,1/4;0,-my,0) (3/4,y,3/4;0,my,0) 8k (1/4,y,0;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,0;mx,0,mz) (3/4,y,1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,0;mx,0,-mz) 8j (1/4,1/2,z;mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (1/4,1/2,-z;mx,-my,0) (3/4,1/2,-z;mx,my,0) (3/4,1/2,-z+1/2;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) (3/4,1/2,z;mx,-my,0) 8i (1/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (1/4,0,-z+1/2;-mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) (3/4,0,z+1/2;-mx,my,0) (3/4,0,z;mx,-my,0) 4h (1/4,1/2,1/4;0,my,0) (1/4,1/2,3/4;0,-my,0) (3/4,1/2,3/4;0,my,0) (3/4,1/2,1/4;0,-my,0) 4g (1/4,1/2,0;mx,0,0) (1/4,1/2,1/2;-mx,0,0) (3/4,1/2,0;mx,0,0) (3/4,1/2,1/2;-mx,0,0) 4f (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) (3/4,0,3/4;0,my,0) (3/4,0,1/4;0,-my,0) 4e (1/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) (3/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) 4d (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,1/2,0;mx,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) ---------- OG: 49.12.375 P_2ac'c'm' UNI: 50.284 Pban.1'_a[Pbmb] BNS: 50.284 P_aban OG-BNS transformation: (1/2,0,0;-2a,c,b) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|1,0,0) (mx|1,0,1/2) (my|1,0,1/2) (mz|1,0,0) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (-2,0,0)+ (0,0,1)+ (0,1,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x+1,y,z+1/2;mx,-my,-mz) (x+1,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x+1,y,1/2;mx,-my,0) (x+1,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) 8p (1/2,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (-1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (3/2,0,z+1/2;-mx,my,0) (3/2,0,-z;-mx,-my,0) 8o (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1,-1/2,-z;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1,1/2,z;0,0,-mz) (1,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8n (1/2,1/2,z;mx,my,0) (1/2,-1/2,-z+1/2;mx,-my,0) (-1/2,1/2,-z+1/2;-mx,my,0) (-1/2,-1/2,z;-mx,-my,0) (1/2,-1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (3/2,-1/2,z+1/2;-mx,my,0) (3/2,1/2,-z;-mx,-my,0) 8m (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8l (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (1/2,-y,-1/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (3/2,-y,3/4;-mx,0,-mz) (3/2,y,-1/4;-mx,0,mz) 8k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1,-y,-1/4;0,my,0) (1,y,3/4;0,-my,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8j (x,1/2,1/4;mx,0,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (x,1/2,-1/4;mx,0,0) 8i (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1,0,-1/4;mx,0,0) (x+1,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,-1/4;mx,0,0) 4h (1/2,1/2,1/4;mx,0,0) (-1/2,-1/2,1/4;-mx,0,0) (1/2,-1/2,-1/4;mx,0,0) (3/2,1/2,-1/4;-mx,0,0) 4g (0,1/2,1/4;0,0,0) (1,-1/2,-1/4;0,0,0) (1,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4f (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (1/2,0,-1/4;mx,0,0) (3/2,0,-1/4;-mx,0,0) 4e (0,0,1/4;0,0,0) (1,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (0,0,-1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (-1/2,0,1/2;-mx,my,0) (-1/2,0,0;-mx,-my,0) 4c (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1,-1/2,0;0,0,0) (1,1/2,1/2;0,0,0) 4b (1/2,1/2,0;mx,my,0) (1/2,-1/2,1/2;mx,-my,0) (-1/2,1/2,1/2;-mx,my,0) (-1/2,-1/2,0;-mx,-my,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2z|1/2,1/2,0) (2y|1/2,0,0) (-1|0,0,0) (mx|0,1/2,0) (mz|1/2,1/2,0) (my|1/2,0,0) (1|1/2,0,0)' (2x|1/2,1/2,0)' (2z|0,1/2,0)' (2y|0,0,0)' (-1|1/2,0,0)' (mx|1/2,1/2,0)' (mz|0,1/2,0)' (my|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,y+1/2,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) 8q (x,0,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x+1/2,0,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (x+1/2,0,z;-mx,0,-mz) 8p (0,y,0;mx,0,mz) (0,-y+1/2,0;mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (1/2,y,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (0,y+1/2,0;mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) (1/2,-y,0;-mx,0,-mz) 8o (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,y,1/2;0,-my,0) (3/4,-y+1/2,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (1/4,y+1/2,1/2;0,my,0) 8n (0,y,1/2;mx,0,mz) (0,-y+1/2,1/2;mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (1/2,y,1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (0,y+1/2,1/2;mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) (1/2,-y,1/2;-mx,0,-mz) 8m (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (3/4,y,0;0,-my,0) (3/4,-y+1/2,0;0,my,0) (1/4,-y,0;0,-my,0) (1/4,y+1/2,0;0,my,0) 8l (0,1/4,z;mx,my,0) (0,1/4,-z;mx,-my,0) (1/2,1/4,z;-mx,-my,0) (1/2,1/4,-z;-mx,my,0) (0,3/4,-z;mx,my,0) (0,3/4,z;mx,-my,0) (1/2,3/4,-z;-mx,-my,0) (1/2,3/4,z;-mx,my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z;0,0,mz) 8j (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x,1/4,1/2;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x,3/4,1/2;mx,0,0) 8i (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x,1/4,0;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x,3/4,0;mx,0,0) 4h (0,1/4,1/2;mx,0,0) (1/2,1/4,1/2;-mx,0,0) (0,3/4,1/2;mx,0,0) (1/2,3/4,1/2;-mx,0,0) 4g (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4f (0,1/4,0;mx,0,0) (1/2,1/4,0;-mx,0,0) (0,3/4,0;mx,0,0) (1/2,3/4,0;-mx,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,0;mx,0,mz) (0,1/2,0;mx,0,-mz) (1/2,1/2,0;-mx,0,mz) (1/2,0,0;-mx,0,-mz) 4c (1/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) 4b (0,0,1/2;mx,0,mz) (0,1/2,1/2;mx,0,-mz) (1/2,1/2,1/2;-mx,0,mz) (1/2,0,1/2;-mx,0,-mz) 4a (1/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) ---------- OG: 49.13.376 P_Cccm' UNI: 68.519 Ccca.1'_a[Pccm] BNS: 68.519 C_acca OG-BNS transformation: (1/2,0,0;2a,2b,c) Operators (OG): (1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,1)+ (1,1,0)+ 32r (x,y,z;mx,my,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,0;mx,my,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) 16p (1/2,0,z;mx,my,0) (3/2,0,-z+1/2;mx,-my,0) (1/2,0,-z+1/2;-mx,my,0) (-1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (-1/2,0,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (3/2,0,-z;-mx,-my,0) 16o (0,1/2,z;mx,my,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1,-1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) 16n (1/2,1/2,z;0,0,mz) (3/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 16m (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 16l (1/2,y,1/4;0,my,0) (3/2,-y,1/4;0,-my,0) (1/2,-y,-1/4;0,my,0) (-1/2,y,3/4;0,-my,0) (3/2,y,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (-1/2,-y,-1/4;0,-my,0) (1/2,y,3/4;0,my,0) 16k (0,y,1/4;mx,0,mz) (1,-y,1/4;mx,0,-mz) (1,y,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1,-y,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1,y,-1/4;-mx,0,mz) 16j (x,1/2,1/4;mx,0,0) (-x+1,1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (x,-1/2,3/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (-x,1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (x+1,-1/2,3/4;mx,0,0) 16i (x,0,1/4;0,my,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1,0,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) 8h (1/2,1/2,1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) 8g (0,1/2,1/4;mx,0,0) (1,1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (0,-1/2,3/4;-mx,0,0) 8f (1/2,0,1/4;0,my,0) (3/2,0,1/4;0,-my,0) (1/2,0,-1/4;0,my,0) (-1/2,0,3/4;0,-my,0) 8e (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) 8d (1/2,0,0;mx,my,0) (3/2,0,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (-1/2,0,0;-mx,-my,0) 8c (0,1/2,0;mx,my,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) 8b (1/2,1/2,0;0,0,0) (3/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) 8a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y+1/2,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y,0;-mx,-my,0) 16p (0,0,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (0,1/2,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,0,-z;-mx,-my,0) 16o (3/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z;-mx,-my,0) (3/4,1/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 16n (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) (1/2,1/4,z;0,0,-mz) (1/2,1/4,-z+1/2;0,0,mz) (0,1/4,-z;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 16m (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z;0,0,-mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 16l (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (0,y,3/4;0,my,0) 16k (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y+1/2,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (1/4,-y+1/2,3/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 16i (x,0,1/4;0,my,mz) (x,1/2,1/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (-x+1/2,1/2,3/4;0,my,mz) (-x+1/2,0,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 8h (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 8g (3/4,1/4,1/4;mx,0,0) (1/4,1/4,1/4;-mx,0,0) (3/4,1/4,3/4;mx,0,0) (1/4,1/4,3/4;-mx,0,0) 8f (0,0,1/4;0,my,0) (0,1/2,1/4;0,-my,0) (1/2,1/2,3/4;0,my,0) (1/2,0,3/4;0,-my,0) 8e (3/4,0,1/4;0,0,mz) (3/4,1/2,1/4;0,0,-mz) (3/4,1/2,3/4;0,0,mz) (3/4,0,3/4;0,0,-mz) 8d (0,0,0;mx,my,0) (0,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (0,1/2,0;-mx,-my,0) 8c (3/4,1/4,0;mx,my,0) (3/4,1/4,1/2;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,1/4,0;-mx,-my,0) 8b (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) 8a (3/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) ---------- OG: 50.1.377 Pban UNI: 50.277 Pban.1 BNS: 50.277 Pban Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 50.2.378 Pban1' UNI: 50.278 Pban.1' BNS: 50.278 Pban1' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;0,0,0) (x,-y+1/2,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4l (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 4k (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4j (1/4,y,1/2;0,0,0) (1/4,-y+1/2,1/2;0,0,0) (3/4,-y,1/2;0,0,0) (3/4,y+1/2,1/2;0,0,0) 4i (1/4,y,0;0,0,0) (1/4,-y+1/2,0;0,0,0) (3/4,-y,0;0,0,0) (3/4,y+1/2,0;0,0,0) 4h (x,1/4,1/2;0,0,0) (-x+1/2,1/4,1/2;0,0,0) (-x,3/4,1/2;0,0,0) (x+1/2,3/4,1/2;0,0,0) 4g (x,1/4,0;0,0,0) (-x+1/2,1/4,0;0,0,0) (-x,3/4,0;0,0,0) (x+1/2,3/4,0;0,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 50.3.379 Pb'an UNI: 50.279 Pb'an BNS: 50.279 Pb'an Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (3/4,1/4,z;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (3/4,3/4,z;-mx,my,0) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;mx,0,0) (-x,3/4,0;-mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;mx,0,0) (3/4,3/4,1/2;-mx,0,0) 2c (3/4,1/4,1/2;mx,0,0) (1/4,3/4,1/2;-mx,0,0) 2b (3/4,1/4,0;mx,0,0) (1/4,3/4,0;-mx,0,0) 2a (1/4,1/4,0;mx,0,0) (3/4,3/4,0;-mx,0,0) ---------- OG: 50.4.380 Pban' UNI: 50.280 Pban' BNS: 50.280 Pban' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,1/2;mx,0,-mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) (3/4,y+1/2,0;mx,0,-mz) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (x+1/2,3/4,0;0,my,-mz) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,-mz) 2c (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 2b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,-mz) ---------- OG: 50.5.381 Pb'a'n UNI: 50.281 Pb'a'n BNS: 50.281 Pb'a'n Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,1,0)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,mz) 4j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,1/2;-mx,0,mz) (3/4,-y,1/2;mx,0,mz) (3/4,y+1/2,1/2;-mx,0,mz) 4i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y+1/2,0;-mx,0,mz) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (x+1/2,3/4,1/2;0,-my,mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (x+1/2,3/4,0;0,-my,mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 2d (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,mz) 2c (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 2b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,mz) ---------- OG: 50.6.382 Pb'an' UNI: 50.282 Pb'an' BNS: 50.282 Pb'an' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|1/2,0,0) (2z|1/2,1/2,0)' (-1|0,0,0) (mx|0,1/2,0)' (my|1/2,0,0) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;mx,my,0) (1/4,3/4,-z;-mx,my,0) (3/4,1/4,-z;mx,my,0) (3/4,1/4,z;-mx,my,0) 4k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,my,0) (3/4,3/4,z;-mx,my,0) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,my,0) 4h (x,1/4,1/2;0,my,mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x,3/4,1/2;0,my,mz) (x+1/2,3/4,1/2;0,my,-mz) 4g (x,1/4,0;0,my,mz) (-x+1/2,1/4,0;0,my,-mz) (-x,3/4,0;0,my,mz) (x+1/2,3/4,0;0,my,-mz) 4f (0,0,1/2;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) 4e (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) 2d (1/4,1/4,1/2;0,my,0) (3/4,3/4,1/2;0,my,0) 2c (3/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,my,0) 2b (3/4,1/4,0;0,my,0) (1/4,3/4,0;0,my,0) 2a (1/4,1/4,0;0,my,0) (3/4,3/4,0;0,my,0) ---------- OG: 50.7.383 Pb'a'n' UNI: 50.283 Pb'a'n' BNS: 50.283 Pb'a'n' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y+1/2,0;0,my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (x+1/2,3/4,0;mx,0,0) 4f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 50.8.384 P_2cban UNI: 50.285 Pban.1'_c[Pban] BNS: 50.285 P_cban OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|0,1/2,1)' (2y|1/2,0,1)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|0,1/2,1)' (my|1/2,0,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (-1/4,5/4,z;0,0,-mz) (1/4,3/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) (-1/4,-3/4,-z+1;0,0,-mz) (-1/4,5/4,z+1;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z+1;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z+1;0,0,mz) 8j (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,-1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y+1/2,1/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,-1/2;-mx,0,mz) 8i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y+1/2,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y+1/2,1;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y+1/2,1;0,my,0) 8h (x,1/4,1/2;0,my,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,-1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,-1/4,-1/2;0,my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,-1/4,1/2;0,my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,-1/4,0;mx,0,0) (x+1/2,-1/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (-x+1/2,1/4,1;mx,0,0) (-x,-1/4,1;-mx,0,0) (x+1/2,-1/4,1;mx,0,0) 8f (0,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (0,1/2,1;-mx,my,mz) (1/2,0,1;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4d (1/4,1/4,1/2;0,0,mz) (1/4,1/4,-1/2;0,0,-mz) (-1/4,-1/4,-1/2;0,0,mz) (-1/4,3/4,1/2;0,0,-mz) 4c (3/4,1/4,1/2;0,0,mz) (3/4,1/4,-1/2;0,0,-mz) (-3/4,-1/4,-1/2;0,0,mz) (-3/4,3/4,1/2;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (-3/4,-1/4,0;0,0,0) (3/4,1/4,1;0,0,0) (-3/4,-1/4,1;0,0,0) 4a (1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (-1/4,-1/4,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8j (1/4,y,1/4;mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,mz) 8i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y+1/2,1/2;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,my,0) 8h (x,1/4,1/4;0,my,mz) (x,1/4,3/4;0,-my,-mz) (-x+1/2,1/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,3/4,1/4;0,-my,-mz) (x+1/2,3/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,1/4,1/2;-mx,0,0) (-x+1/2,1/4,1/2;mx,0,0) (-x,3/4,1/2;-mx,0,0) (x+1/2,3/4,1/2;mx,0,0) 8f (0,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 4c (3/4,1/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 50.9.385 P_2cb'an UNI: 52.315 Pnna.1'_b[Pcna] BNS: 52.315 P_bnna OG-BNS transformation: (1/2,1/2,1/2;a,-2c,b) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,1) (2z|1/2,1/2,1) (-1|0,0,1) (mx|0,1/2,1) (my|1/2,0,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|0,1/2,1)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,1/2,0)' (my|1/2,0,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-2)+ (0,1,0)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8l (1/4,3/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,3/4,-z+1;-mx,my,0) (1/4,-1/4,z+1;-mx,-my,0) (-1/4,-3/4,-z+1;mx,my,0) (-1/4,5/4,z+1;mx,-my,0) (3/4,-3/4,z;-mx,my,0) (3/4,5/4,-z;-mx,-my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,1/4,-z;mx,-my,0) (1/4,1/4,-z+1;-mx,my,0) (1/4,1/4,z+1;-mx,-my,0) (-1/4,-1/4,-z+1;mx,my,0) (-1/4,3/4,z+1;mx,-my,0) (3/4,-1/4,z;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 8j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,-1/2;0,-my,0) (-1/4,-y,1/2;0,my,0) (-1/4,y+1/2,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y+1/2,1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (-1/4,y+1/2,1/2;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (1/4,y,1;-mx,0,-mz) (1/4,-y+1/2,1;-mx,0,mz) (-1/4,-y,1;mx,0,mz) (-1/4,y+1/2,1;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 8h (x,1/4,1/2;0,my,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,1/4,3/2;0,-my,mz) (-x,-1/4,1/2;0,my,mz) (-x,3/4,3/2;0,-my,-mz) (x+1/2,-1/4,1/2;0,my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,1;-mx,0,0) (-x,-1/4,1;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (-x+1/2,1/4,0;mx,0,0) (-x,-1/4,0;-mx,0,0) (x+1/2,3/4,1;mx,0,0) 8f (0,0,1/2;mx,my,mz) (0,1/2,-1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,3/2;-mx,-my,mz) (0,0,3/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,-1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 8e (0,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) (0,1/2,1;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) 4d (1/4,1/4,1/2;0,my,0) (1/4,1/4,-1/2;0,-my,0) (-1/4,-1/4,1/2;0,my,0) (-1/4,3/4,3/2;0,-my,0) 4c (3/4,1/4,1/2;0,my,0) (3/4,1/4,-1/2;0,-my,0) (-3/4,-1/4,1/2;0,my,0) (-3/4,3/4,3/2;0,-my,0) 4b (3/4,1/4,0;mx,0,0) (-1/4,1/4,1;-mx,0,0) (-3/4,-1/4,1;mx,0,0) (5/4,3/4,0;-mx,0,0) 4a (1/4,1/4,0;mx,0,0) (1/4,1/4,1;-mx,0,0) (-1/4,-1/4,1;mx,0,0) (3/4,3/4,0;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2z|1/2,0,0) (2y|1/2,1/2,1/2) (-1|0,0,0) (mx|0,1/2,1/2) (mz|1/2,0,0) (my|1/2,1/2,1/2) (1|0,1/2,0)' (2x|0,0,1/2)' (2z|1/2,1/2,0)' (2y|1/2,0,1/2)' (-1|0,1/2,0)' (mx|0,0,1/2)' (mz|1/2,1/2,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8l (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,y,3/4;-mx,0,mz) (1/4,-y+1/2,3/4;-mx,0,-mz) 8k (3/4,y,3/4;mx,0,mz) (3/4,-y+1/2,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,mz) (3/4,y+1/2,3/4;-mx,0,-mz) (1/4,-y,1/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (1/4,y,1/4;-mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,-mz) 8j (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8i (3/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z+1/2;-mx,my,0) (1/4,3/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) 8h (x,0,3/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,-mz) (x+1/2,0,1/4;0,-my,mz) (x+1/2,1/2,1/4;0,my,-mz) 8g (x,1/4,3/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (x,3/4,3/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 8f (1/2,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,-my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;mx,my,-mz) (0,0,0;mx,-my,mz) 8e (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,3/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) 4d (3/4,0,3/4;0,0,mz) (3/4,1/2,3/4;0,0,-mz) (1/4,0,1/4;0,0,mz) (1/4,1/2,1/4;0,0,-mz) 4c (1/4,0,3/4;0,0,mz) (1/4,1/2,3/4;0,0,-mz) (3/4,0,1/4;0,0,mz) (3/4,1/2,1/4;0,0,-mz) 4b (1/4,1/4,3/4;mx,0,0) (1/4,3/4,3/4;-mx,0,0) (3/4,3/4,1/4;mx,0,0) (3/4,1/4,1/4;-mx,0,0) 4a (3/4,1/4,3/4;mx,0,0) (3/4,3/4,3/4;-mx,0,0) (1/4,3/4,1/4;mx,0,0) (1/4,1/4,1/4;-mx,0,0) ---------- OG: 50.10.386 P_2cb'a'n UNI: 48.262 Pnnn.1'_c[Pban] BNS: 48.262 P_cnnn OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,1/2,1) (2y|1/2,0,1) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1) (my|1/2,0,1) (mz|1/2,1/2,0) (1|0,0,1)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (-1/4,5/4,z+1;0,0,-mz) (1/4,3/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (-1/4,-3/4,-z+1;0,0,-mz) (-1/4,5/4,z;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z;0,0,mz) 8j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (-1/4,y+1/2,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y+1/2,-1/2;0,my,0) (-1/4,-y,1/2;0,-my,0) (-1/4,y+1/2,1/2;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,1;mx,0,-mz) (1/4,y,1;-mx,0,-mz) (1/4,-y+1/2,0;-mx,0,mz) (-1/4,-y,0;mx,0,mz) (-1/4,y+1/2,1;mx,0,-mz) (3/4,-y,1;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 8h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,-1/4,-1/2;mx,0,0) (x+1/2,-1/4,3/2;-mx,0,0) (x,1/4,3/2;-mx,0,0) (-x+1/2,1/4,-1/2;mx,0,0) (-x,-1/4,1/2;-mx,0,0) (x+1/2,-1/4,1/2;mx,0,0) 8g (x,1/4,0;0,my,mz) (x,1/4,1;0,-my,-mz) (-x+1/2,1/4,1;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,-1/4,0;0,my,mz) (-x,3/4,1;0,-my,-mz) (x+1/2,-1/4,1;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 8f (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,1;mx,-my,-mz) (1/2,0,1;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4d (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,1/4,3/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4c (3/4,1/4,1/2;0,0,0) (-3/4,-1/4,-1/2;0,0,0) (3/4,1/4,3/2;0,0,0) (-3/4,-1/4,1/2;0,0,0) 4b (3/4,1/4,0;0,0,mz) (3/4,1/4,1;0,0,-mz) (-3/4,-1/4,0;0,0,mz) (-3/4,3/4,1;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1;0,0,-mz) (-1/4,-1/4,0;0,0,mz) (-1/4,3/4,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 8j (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) (1/4,y,3/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8i (1/4,y,0;mx,0,mz) (1/4,-y+1/2,1/2;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y+1/2,0;-mx,0,mz) 8h (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) 8g (x,1/4,0;0,my,mz) (x,1/4,1/2;0,-my,-mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 8f (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) ---------- OG: 51.1.387 Pmma UNI: 51.289 Pmma.1 BNS: 51.289 Pmma Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,-my,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) ---------- OG: 51.2.388 Pmma1' UNI: 51.290 Pmma.1' BNS: 51.290 Pmma1' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,0)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y,z;0,0,0) (x+1/2,y,-z;0,0,0) 4k (1/4,y,z;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y,-z;0,0,0) (1/4,-y,z;0,0,0) 4j (x,1/2,z;0,0,0) (x+1/2,1/2,-z;0,0,0) (-x,1/2,-z;0,0,0) (-x+1/2,1/2,z;0,0,0) 4i (x,0,z;0,0,0) (x+1/2,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x+1/2,0,z;0,0,0) 4h (0,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y,1/2;0,0,0) 4g (0,y,0;0,0,0) (1/2,-y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,0;0,0,0) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 51.3.389 Pm'ma UNI: 51.291 Pm'ma BNS: 51.291 Pm'ma Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,-my,mz) (1/4,-y,z;0,my,-mz) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 2f (1/4,1/2,z;0,my,0) (3/4,1/2,-z;0,-my,0) 2e (1/4,0,z;0,my,0) (3/4,0,-z;0,-my,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 51.4.390 Pmm'a UNI: 51.292 Pmm'a BNS: 51.292 Pmm'a Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0) (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0) (my|0,0,0)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;mx,0,0) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;-mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;mx,0,-mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;-mx,0,mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;mx,0,-mz) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,-my,0) 2f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;-mx,0,0) 2e (1/4,0,z;mx,0,0) (3/4,0,-z;-mx,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 51.5.391 Pmma' UNI: 51.293 Pmma' BNS: 51.293 Pmma' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;-mx,0,0) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,-my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,-my,0) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;mx,0,-mz) 2f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 2e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 51.6.392 Pm'm'a UNI: 51.294 Pm'm'a BNS: 51.294 Pm'm'a Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z;0,-my,mz) (1/4,-y,z;0,-my,mz) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;-mx,0,mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z;-mx,0,mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;-mx,0,mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,0;-mx,0,mz) 2f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z;0,0,mz) 2e (1/4,0,z;0,0,mz) (3/4,0,-z;0,0,mz) 2d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;-mx,0,mz) 2c (0,0,1/2;mx,0,mz) (1/2,0,1/2;-mx,0,mz) 2b (0,1/2,0;mx,0,mz) (1/2,1/2,0;-mx,0,mz) 2a (0,0,0;mx,0,mz) (1/2,0,0;-mx,0,mz) ---------- OG: 51.7.393 Pmm'a' UNI: 51.295 Pmm'a' BNS: 51.295 Pmm'a' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z;mx,0,-mz) 4h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) 4g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,-y,0;mx,0,mz) (1/2,y,0;mx,0,-mz) 2f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) 2e (1/4,0,z;mx,0,0) (3/4,0,-z;mx,0,0) 2d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) 2c (0,0,1/2;mx,0,mz) (1/2,0,1/2;mx,0,-mz) 2b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) 2a (0,0,0;mx,0,mz) (1/2,0,0;mx,0,-mz) ---------- OG: 51.8.394 Pm'ma' UNI: 51.296 Pm'ma' BNS: 51.296 Pm'ma' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,0,0) (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,0)' (my|0,0,0) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z;0,my,-mz) (1/4,-y,z;0,my,-mz) 4j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,my,0) 4i (x,0,z;0,my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,my,0) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,my,0) (1/2,y,0;0,my,0) 2f (1/4,1/2,z;0,my,0) (3/4,1/2,-z;0,my,0) 2e (1/4,0,z;0,my,0) (3/4,0,-z;0,my,0) 2d (0,1/2,1/2;0,my,0) (1/2,1/2,1/2;0,my,0) 2c (0,0,1/2;0,my,0) (1/2,0,1/2;0,my,0) 2b (0,1/2,0;0,my,0) (1/2,1/2,0;0,my,0) 2a (0,0,0;0,my,0) (1/2,0,0;0,my,0) ---------- OG: 51.9.395 Pm'm'a' UNI: 51.297 Pm'm'a' BNS: 51.297 Pm'm'a' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (1/4,-y,z;0,-my,mz) 4j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) 4i (x,0,z;mx,0,mz) (x+1/2,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) 4h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 4g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,-my,0) (1/2,y,0;0,my,0) 2f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z;0,0,-mz) 2e (1/4,0,z;0,0,mz) (3/4,0,-z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 51.10.396 P_2bmma UNI: 51.299 Pmma.1'_b[Pmma] BNS: 51.299 P_bmma OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,0)' (2y|0,1,0)' (2z|1/2,1,0)' (-1|0,1,0)' (mx|1/2,1,0)' (my|0,1,0)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (3/4,-y+1,-z;-mx,0,0) (-1/4,y+1,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,1,-z;0,my,0) (-x,1,-z;0,-my,0) (-x+1/2,1,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,-1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y+1,-1/2;0,my,0) (0,-y+1,-1/2;0,-my,0) (1/2,y+1,1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y+1,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y+1,0;0,my,0) 4f (1/4,1/2,z;mx,0,0) (3/4,-1/2,-z;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1,z;0,0,0) (3/4,1,-z;0,0,0) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,-1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,1,-1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1,0;0,-my,0) (1/2,1,0;0,my,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1/2,0)' (2x|1/2,1/2,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|1/2,1/2,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 8j (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,1/4,-z;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) (x,3/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (0,-y+1/2,1/2;0,-my,0) (1/2,y+1/2,1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) (0,-y+1/2,0;0,-my,0) (1/2,y+1/2,0;0,my,0) 4f (1/4,1/4,z;mx,0,0) (3/4,3/4,-z;mx,0,0) (3/4,1/4,-z;-mx,0,0) (1/4,3/4,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4d (0,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) 4b (0,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1/2,0;0,-my,0) (1/2,1/2,0;0,my,0) ---------- OG: 51.11.397 P_2cmma UNI: 51.300 Pmma.1'_c[Pmma] BNS: 51.300 P_cmma OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,0,1)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|1/2,0,1)' (my|0,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y,-z+1;mx,0,0) (1/4,-y,z+1;mx,0,0) 8j (x,1/2,z;0,my,0) (x+1/2,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (x+1/2,-1/2,-z+1;0,my,0) (-x,1/2,-z+1;0,-my,0) (-x+1/2,-1/2,z+1;0,my,0) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x+1/2,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x+1/2,0,z+1;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,-1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y,1;0,-my,0) (1/2,-y,1;0,my,0) (0,-y,1;0,-my,0) (1/2,y,1;0,my,0) 4f (1/4,1/2,z;0,0,0) (3/4,-1/2,-z;0,0,0) (1/4,1/2,z+1;0,0,0) (3/4,-1/2,-z+1;0,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1;0,0,0) (3/4,0,-z+1;0,0,0) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (0,1/2,0;0,my,0) (1/2,-1/2,0;0,-my,0) (0,1/2,1;0,-my,0) (1/2,-1/2,1;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,0,1;0,-my,0) (1/2,0,1;0,my,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y,-z+1/2;mx,0,0) (1/4,-y,z+1/2;mx,0,0) 8j (x,1/2,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 8h (0,y,1/4;mx,0,mz) (1/2,-y,3/4;mx,0,-mz) (0,y,3/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,1/4;mx,0,-mz) (0,-y,1/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 8g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 4f (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) (3/4,0,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4c (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,0,1/2;0,-my,0) (1/2,0,1/2;0,my,0) ---------- OG: 51.12.398 P_Amma UNI: 63.467 Cmcm.1'_a[Pmcm] BNS: 63.467 C_amcm OG-BNS transformation: (0,0,0;2b,2c,a) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,0)' (2y|0,1,0)' (2z|1/2,1,0)' (-1|0,1,0)' (mx|1/2,1,0)' (my|0,1,0)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,0,0)+ (0,1,1)+ 32l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 16k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (3/4,-y+1,-z;-mx,0,0) (-1/4,y+1,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) 16j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 16i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,1,-z;0,my,0) (-x,1,-z;0,-my,0) (-x+1/2,1,z;0,my,0) 16h (0,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y,-1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) 16g (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y+1,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y+1,0;0,my,0) 8f (1/4,1/2,z;mx,0,0) (3/4,-1/2,-z;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) 8e (1/4,0,z;0,0,0) (-1/4,0,-z;0,0,0) (1/4,1,z;0,0,0) (-1/4,1,-z;0,0,0) 8d (0,1/2,1/2;mx,0,mz) (1/2,-1/2,-1/2;mx,0,-mz) (0,1/2,-1/2;-mx,0,-mz) (1/2,-1/2,1/2;-mx,0,mz) 8c (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8b (0,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 8a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1,0;0,-my,0) (1/2,1,0;0,my,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (2x|0,0,0) (2y|0,0,1/2) (-1|0,0,0) (mz|0,0,1/2) (mx|0,0,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|1/2,0,1/2)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (-1|1/2,0,0)' (mz|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32l (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 16k (x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (x+1/2,y,1/4;0,0,-mz) (-x+1/2,-y,3/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) 16j (1/4,y,z;0,my,mz) (3/4,-y,z+1/2;0,-my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,-z;0,my,mz) (1/4,y,-z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 16i (0,y,z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) 16h (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,-my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,0;0,my,mz) (x,1/4,1/2;0,-my,mz) (-x,1/4,0;0,-my,-mz) (x,3/4,1/2;0,my,-mz) 16g (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8f (1/4,y,1/4;0,0,mz) (3/4,-y,3/4;0,0,mz) (1/4,-y,3/4;0,0,-mz) (3/4,y,1/4;0,0,-mz) 8e (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 8d (1/4,1/4,0;0,my,mz) (3/4,3/4,1/2;0,-my,mz) (1/4,3/4,0;0,-my,-mz) (3/4,1/4,1/2;0,my,-mz) 8c (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) 8b (1/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) 8a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (1/2,0,1/2;mx,0,0) ---------- OG: 51.13.399 P_2bm'ma UNI: 57.388 Pbcm.1'_c[Pbmm] BNS: 57.388 P_cbcm OG-BNS transformation: (0,1/2,0;c,a,2b) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,1,0) (2z|1/2,1,0) (-1|0,1,0) (mx|1/2,1,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1,0)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y+1,-z;0,my,-mz) (1/4,-y+1,z;0,-my,mz) (-1/4,-y+1,-z;0,my,mz) (1/4,y+1,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,1,-z;0,my,0) (-x+1/2,1,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,1,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y,-1/2;mx,0,-mz) (0,y+1,-1/2;-mx,0,-mz) (1/2,-y+1,1/2;-mx,0,mz) (0,-y+1,-1/2;mx,0,mz) (1/2,y+1,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) 8g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y+1,0;-mx,0,-mz) (1/2,-y+1,0;-mx,0,mz) (0,-y+1,0;mx,0,mz) (1/2,y+1,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,0,mz) (3/4,-1/2,-z;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,3/2,z;0,0,-mz) 4e (1/4,0,z;0,my,0) (3/4,0,-z;0,-my,0) (-1/4,1,-z;0,my,0) (1/4,1,z;0,-my,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,-1/2,-1/2;mx,0,-mz) (0,3/2,-1/2;-mx,0,-mz) (1/2,1/2,1/2;-mx,0,mz) 4c (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1,-1/2;0,0,0) (1/2,1,1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,-1/2,0;mx,0,-mz) (0,3/2,0;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1,0;0,0,0) (1/2,1,0;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (2x|0,1/2,0) (-1|0,0,0) (my|0,1/2,1/2) (mz|0,0,1/2) (mx|0,1/2,0) (1|0,0,1/2)' (2y|0,1/2,0)' (2z|0,0,0)' (2x|0,1/2,1/2)' (-1|0,0,1/2)' (my|0,1/2,0)' (mz|0,0,0)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) 8k (x,1/4,z;mx,0,mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,z+1/2;-mx,0,mz) (x,1/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,1/4,z+1/2;-mx,0,-mz) (x,1/4,-z+1/2;-mx,0,mz) (-x,3/4,z;mx,0,-mz) 8j (x,y,0;mx,my,0) (-x,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (x,-y+1/2,0;mx,-my,0) (-x,-y,0;mx,my,0) (x,-y+1/2,1/2;-mx,my,0) (x,y,1/2;-mx,-my,0) (-x,y+1/2,0;mx,-my,0) 8i (x,y,3/4;0,0,mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (x,y,1/4;0,0,-mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (x,-y+1/2,3/4;0,0,mz) 8h (1/2,0,z;mx,my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,-z;mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) (1/2,1/2,z;mx,-my,0) 8g (0,0,z;mx,my,0) (0,1/2,-z+1/2;-mx,my,0) (0,0,z+1/2;-mx,-my,0) (0,1/2,-z;mx,-my,0) (0,0,-z;mx,my,0) (0,1/2,z+1/2;-mx,my,0) (0,0,-z+1/2;-mx,-my,0) (0,1/2,z;mx,-my,0) 4f (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) 4e (x,1/4,3/4;0,0,mz) (-x,3/4,3/4;0,0,-mz) (-x,3/4,1/4;0,0,mz) (x,1/4,1/4;0,0,-mz) 4d (1/2,0,0;mx,my,0) (1/2,1/2,1/2;-mx,my,0) (1/2,0,1/2;-mx,-my,0) (1/2,1/2,0;mx,-my,0) 4c (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4b (0,0,0;mx,my,0) (0,1/2,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) (0,1/2,0;mx,-my,0) 4a (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 51.14.400 P_2bmma' UNI: 59.412 Pmmn.1'_b[Pmma] BNS: 59.412 P_bmmn OG-BNS transformation: (0,-1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2x|1/2,1,0) (2y|0,1,0) (2z|1/2,0,0) (-1|0,1,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,1,0)' (-1|0,0,0)' (mx|1/2,1,0)' (my|0,1,0)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y+1,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y+1,-z;mx,0,0) (-1/4,y+1,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (1/4,y+1,z;-mx,0,0) (3/4,-y,-z;-mx,0,0) (-1/4,y,-z;mx,0,0) (1/4,-y+1,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,3/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,1,-z;0,-my,0) (-x,1,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,1,z;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y+1,-1/2;mx,0,-mz) (0,y+1,-1/2;-mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,-y+1,-1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y+1,-1/2;-mx,0,mz) 8g (0,y,0;mx,0,mz) (1/2,-y+1,0;mx,0,-mz) (0,y+1,0;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y+1,0;mx,0,mz) (1/2,y,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y+1,0;-mx,0,mz) 4f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) (-1/4,3/2,-z;-mx,0,0) (1/4,-1/2,z;-mx,0,0) 4e (1/4,0,z;0,0,0) (3/4,1,-z;0,0,0) (1/4,1,z;0,0,0) (3/4,0,-z;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,1/2,-1/2;mx,0,-mz) (0,3/2,-1/2;-mx,0,-mz) (1/2,-1/2,1/2;-mx,0,mz) 4c (0,0,1/2;0,0,0) (1/2,1,-1/2;0,0,0) (0,1,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,3/2,0;-mx,0,-mz) (1/2,-1/2,0;-mx,0,mz) 4a (0,0,0;0,0,0) (1/2,1,0;0,0,0) (0,1,0;0,0,0) (1/2,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,1/2,0)' (mx|1/2,1/2,0)' (my|0,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y,-z;mx,0,0) (1/4,-y,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,0,z;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8i (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,3/4,z;0,-my,0) (x+1/2,1/4,-z;0,my,0) (-x,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y+1/2,1/2;-mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) 8g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,0;mx,0,-mz) (0,-y+1/2,0;-mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) 4f (1/4,1/2,z;mx,0,0) (3/4,1/2,-z;mx,0,0) (3/4,0,-z;-mx,0,0) (1/4,0,z;-mx,0,0) 4e (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4c (0,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (0,0,0;-mx,0,-mz) (1/2,0,0;-mx,0,mz) 4a (0,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) ---------- OG: 51.15.401 P_2bm'ma' UNI: 53.330 Pmna.1'_a[Pmcm] BNS: 53.330 P_amna OG-BNS transformation: (0,0,0;2b,c,a) Operators (OG): (1|0,0,0) (2x|1/2,1,0) (2y|0,0,0) (2z|1/2,1,0) (-1|0,0,0) (mx|1/2,1,0) (my|0,0,0) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,0)' (2y|0,1,0)' (2z|1/2,0,0)' (-1|0,1,0)' (mx|1/2,0,0)' (my|0,1,0)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y+1,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y+1,-z;0,-my,-mz) (-1/4,y,-z;0,my,-mz) (1/4,-y+1,z;0,-my,mz) (-1/4,-y,-z;0,my,mz) (1/4,y+1,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (3/4,y+1,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,3/2,-z;-mx,0,mz) 8i (x,0,z;0,my,0) (x+1/2,1,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,1,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,0,-z;0,my,0) (-x,1,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y+1,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y+1,-1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y+1,-1/2;0,-my,0) (1/2,y,-1/2;0,my,0) 8g (0,y,0;0,my,0) (1/2,-y+1,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y+1,0;0,-my,0) (0,y+1,0;0,-my,0) (1/2,-y,0;0,my,0) (0,-y+1,0;0,-my,0) (1/2,y,0;0,my,0) 4f (1/4,1/2,z;0,0,mz) (-1/4,1/2,-z;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,-1/2,z;0,0,-mz) 4e (1/4,0,z;0,my,0) (3/4,1,-z;0,-my,0) (-1/4,0,-z;0,my,0) (1/4,1,z;0,-my,0) 4d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,3/2,-1/2;0,0,0) 4c (0,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,0,1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,3/2,0;0,0,0) 4a (0,0,0;0,my,0) (1/2,1,0;0,-my,0) (0,1,0;0,-my,0) (1/2,0,0;0,my,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2x|0,0,0) (2y|1/2,0,1/2) (-1|0,0,0) (mz|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|0,0,1/2)' (2x|1/2,0,0)' (2y|0,0,1/2)' (-1|1/2,0,0)' (mz|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8k (x,y,1/4;mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (x,-y,3/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) (x+1/2,y,1/4;-mx,-my,0) (-x,y,1/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) 8j (1/4,y,z;0,my,mz) (1/4,-y,z+1/2;0,-my,mz) (1/4,-y,-z;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 8i (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) (1/2,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) 8h (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,1/2,1/2;mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 4f (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 4e (0,y,1/4;mx,0,0) (1/2,-y,3/4;-mx,0,0) (0,-y,3/4;mx,0,0) (1/2,y,1/4;-mx,0,0) 4d (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4c (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4b (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;mx,0,0) ---------- OG: 51.16.402 P_2cm'ma UNI: 55.360 Pbam.1'_a[Pbmm] BNS: 55.360 P_abam OG-BNS transformation: (0,0,1/2;2c,a,b) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,1) (2z|1/2,0,1) (-1|0,0,1) (mx|1/2,0,1) (my|0,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,0,2)+ (1,0,0)+ (0,1,0)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y,-z+1;0,my,-mz) (1/4,-y,z+1;0,-my,mz) (-1/4,-y,-z+1;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y,z;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;0,my,0) (x+1/2,-1/2,-z;0,-my,0) (-x,1/2,-z+1;0,my,0) (-x+1/2,-1/2,z+1;0,-my,0) (x,1/2,z+1;0,-my,0) (x+1/2,-1/2,-z+1;0,my,0) (-x,1/2,-z;0,-my,0) (-x+1/2,-1/2,z;0,my,0) 8i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z+1;0,my,0) (-x+1/2,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (x+1/2,0,-z+1;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 8h (0,y,1/2;0,my,0) (1/2,-y,3/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,-1/2;0,-my,0) (0,y,3/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y,1;-mx,0,-mz) (1/2,-y,1;-mx,0,mz) (0,-y,1;mx,0,mz) (1/2,y,1;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,my,0) (3/4,-1/2,-z;0,-my,0) (-1/4,1/2,-z+1;0,my,0) (1/4,-1/2,z+1;0,-my,0) 4e (1/4,0,z;0,my,0) (3/4,0,-z;0,-my,0) (-1/4,0,-z+1;0,my,0) (1/4,0,z+1;0,-my,0) 4d (0,1/2,1/2;0,my,0) (1/2,-1/2,3/2;0,-my,0) (0,1/2,3/2;0,-my,0) (1/2,-1/2,1/2;0,my,0) 4c (0,0,1/2;0,my,0) (1/2,0,3/2;0,-my,0) (0,0,3/2;0,-my,0) (1/2,0,1/2;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,1/2,1;0,0,0) (1/2,-1/2,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,0,1;0,0,0) (1/2,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2y|1/2,1/2,0) (2z|0,0,0) (2x|1/2,1/2,0) (-1|0,0,0) (my|1/2,1/2,0) (mz|0,0,0) (mx|1/2,1/2,0) (1|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' (2x|0,1/2,0)' (-1|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,0,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) 8k (x,1/4,z;mx,0,mz) (-x+1/2,3/4,-z;-mx,0,-mz) (-x,3/4,z;-mx,0,mz) (x+1/2,1/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x+1/2,1/4,z;-mx,0,-mz) (x,1/4,-z;-mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) 8j (x,y,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (x+1/2,y,1/2;0,0,-mz) (-x,y+1/2,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) (x,-y+1/2,1/2;0,0,mz) 8i (x,y,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (x+1/2,y,0;0,0,-mz) (-x,y+1/2,0;0,0,mz) (-x+1/2,-y,0;0,0,-mz) (x,-y+1/2,0;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z;0,0,mz) 8g (3/4,0,z;mx,my,0) (3/4,1/2,-z;-mx,my,0) (1/4,0,z;-mx,-my,0) (1/4,1/2,-z;mx,-my,0) (1/4,0,-z;mx,my,0) (1/4,1/2,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z;mx,-my,0) 4f (x,1/4,1/2;0,0,mz) (-x+1/2,3/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,mz) (x+1/2,1/4,1/2;0,0,-mz) 4e (x,1/4,0;0,0,mz) (-x+1/2,3/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) (x+1/2,1/4,0;0,0,-mz) 4d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,0;0,0,mz) 4b (3/4,0,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) (1/4,1/2,1/2;0,0,0) 4a (3/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) ---------- OG: 51.17.403 P_2cmm'a UNI: 57.387 Pbcm.1'_b[Pmcm] BNS: 57.387 P_bbcm OG-BNS transformation: (0,0,1/2;b,2c,a) Operators (OG): (1|0,0,0) (2x|1/2,0,1) (2y|0,0,0) (2z|1/2,0,1) (-1|0,0,1) (mx|1/2,0,0) (my|0,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,0)' (2y|0,0,1)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1)' (my|0,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;mx,0,0) (3/4,-y,-z+1;mx,0,0) (-1/4,y,-z;-mx,0,0) (1/4,-y,z+1;-mx,0,0) (1/4,y,z+1;-mx,0,0) (3/4,-y,-z;-mx,0,0) (-1/4,y,-z+1;mx,0,0) (1/4,-y,z;mx,0,0) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x+1/2,-1/2,z+1;-mx,0,mz) (-x,-1/2,-z+1;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;mx,0,mz) (x+1/2,0,-z+1;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x+1/2,0,z+1;-mx,0,mz) (-x,0,-z+1;mx,0,mz) (-x+1/2,0,z;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8h (0,y,1/2;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y,-1/2;-mx,0,-mz) (1/2,-y,3/2;-mx,0,mz) (0,-y,1/2;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,3/2;-mx,0,-mz) (1/2,y,-1/2;-mx,0,mz) 8g (0,y,0;0,my,0) (1/2,-y,1;0,-my,0) (0,-y,1;0,my,0) (1/2,y,0;0,-my,0) (0,y,1;0,-my,0) (1/2,-y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,y,1;0,my,0) 4f (1/4,1/2,z;mx,0,0) (3/4,-1/2,-z+1;mx,0,0) (-1/4,1/2,-z;-mx,0,0) (1/4,-1/2,z+1;-mx,0,0) 4e (1/4,0,z;mx,0,0) (3/4,0,-z+1;mx,0,0) (-1/4,0,-z;-mx,0,0) (1/4,0,z+1;-mx,0,0) 4d (0,1/2,1/2;mx,0,mz) (1/2,-1/2,1/2;mx,0,-mz) (0,1/2,-1/2;-mx,0,-mz) (1/2,-1/2,3/2;-mx,0,mz) 4c (0,0,1/2;mx,0,mz) (1/2,0,1/2;mx,0,-mz) (0,0,-1/2;-mx,0,-mz) (1/2,0,3/2;-mx,0,mz) 4b (0,1/2,0;0,0,0) (1/2,-1/2,1;0,0,0) (0,-1/2,1;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (2x|0,1/2,0) (2y|0,1/2,1/2) (-1|0,0,0) (mz|0,0,1/2) (mx|0,1/2,0) (my|0,1/2,1/2) (1|0,1/2,0)' (2z|0,1/2,1/2)' (2x|0,0,0)' (2y|0,0,1/2)' (-1|0,1/2,0)' (mz|0,1/2,1/2)' (mx|0,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,y+1/2,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8k (x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (x,y+1/2,1/4;0,0,-mz) (-x,-y+1/2,3/4;0,0,-mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,mz) 8j (1/2,y,z;0,my,mz) (1/2,-y,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) 8i (0,y,z;0,my,mz) (0,-y,z+1/2;0,-my,mz) (0,-y+1/2,-z;0,-my,-mz) (0,y+1/2,-z+1/2;0,my,-mz) (0,-y,-z;0,my,mz) (0,y,-z+1/2;0,-my,mz) (0,y+1/2,z;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) 8h (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (x,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x,0,1/2;0,-my,mz) (-x,1/2,0;0,-my,-mz) (x,1/2,1/2;0,my,-mz) 8g (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x,1/4,0;-mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 4f (1/2,y,1/4;0,0,mz) (1/2,-y,3/4;0,0,mz) (1/2,-y+1/2,3/4;0,0,-mz) (1/2,y+1/2,1/4;0,0,-mz) 4e (0,y,1/4;0,0,mz) (0,-y,3/4;0,0,mz) (0,-y+1/2,3/4;0,0,-mz) (0,y+1/2,1/4;0,0,-mz) 4d (1/2,0,0;0,my,mz) (1/2,0,1/2;0,-my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) 4c (0,0,0;0,my,mz) (0,0,1/2;0,-my,mz) (0,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) 4b (1/2,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) 4a (0,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) (0,3/4,1/2;0,0,0) ---------- OG: 51.18.404 P_2cm'm'a UNI: 54.348 Pcca.1'_c[Pmma] BNS: 54.348 P_ccca OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,0,1) (2y|0,0,1) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1) (my|0,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y,-z+1;0,my,-mz) (1/4,-y,z;0,-my,mz) (-1/4,-y,-z;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y,z+1;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x+1/2,-1/2,z;-mx,0,mz) (-x,-1/2,-z;mx,0,mz) (-x+1/2,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;mx,0,mz) (x+1/2,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8h (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (1/2,y,3/2;0,-my,0) (0,y,3/2;0,-my,0) (1/2,-y,-1/2;0,my,0) (0,-y,1/2;0,-my,0) (1/2,y,1/2;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,1;mx,0,-mz) (0,y,1;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,1;mx,0,-mz) (0,-y,1;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,0,mz) (3/4,-1/2,-z+1;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,1/2,z+1;0,0,-mz) 4e (1/4,0,z;0,0,mz) (3/4,0,-z+1;0,0,-mz) (-1/4,0,-z;0,0,mz) (1/4,0,z+1;0,0,-mz) 4d (0,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,-1/2,1;mx,0,-mz) (0,1/2,1;-mx,0,-mz) (1/2,-1/2,0;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,0,1;mx,0,-mz) (0,0,1;-mx,0,-mz) (1/2,0,0;-mx,0,mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,0,1/2)' (2x|1/2,0,0)' (2y|0,0,0)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8k (1/4,y,z;0,my,mz) (3/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (1/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 8j (x,1/2,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8i (x,0,z;mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8h (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 8g (0,y,0;mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,y,1/2;-mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,y,1/2;mx,0,-mz) (0,-y,1/2;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 4f (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 4e (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4c (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (0,1/2,0;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (0,1/2,1/2;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,0,1/2;mx,0,-mz) (0,0,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) ---------- OG: 51.19.405 P_Am'ma UNI: 64.479 Cmca.1'_a[Pmcm] BNS: 64.479 C_amca OG-BNS transformation: (0,0,1/2;2b,2c,a) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,1,0) (2z|1/2,1,0) (-1|0,1,0) (mx|1/2,1,0) (my|0,0,0) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,0)' (2y|0,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1,0)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,0,0)+ (0,1,1)+ 32l (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1,-z;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y+1,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1,z;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 16k (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y+1,-z;0,my,-mz) (1/4,-y+1,z;0,-my,mz) (-1/4,-y+1,-z;0,my,mz) (1/4,y+1,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (3/4,y,-z;0,-my,mz) 16j (x,1/2,z;mx,0,mz) (x+1/2,-1/2,-z;mx,0,-mz) (-x,3/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x+1/2,3/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 16i (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,1,-z;0,my,0) (-x+1/2,1,z;0,-my,0) (x,1,z;0,-my,0) (x+1/2,1,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,0,z;0,my,0) 16h (0,y,1/2;0,my,0) (1/2,-y+1,1/2;0,-my,0) (0,-y+1,-1/2;0,my,0) (1/2,y,-1/2;0,-my,0) (0,y+1,1/2;0,-my,0) (1/2,-y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,y+1,-1/2;0,my,0) 16g (0,y,0;mx,0,mz) (1/2,-y,0;mx,0,-mz) (0,y+1,0;-mx,0,-mz) (1/2,-y+1,0;-mx,0,mz) (0,-y+1,0;mx,0,mz) (1/2,y+1,0;mx,0,-mz) (0,-y,0;-mx,0,-mz) (1/2,y,0;-mx,0,mz) 8f (1/4,1/2,z;0,0,mz) (-1/4,3/2,-z;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,-1/2,z;0,0,-mz) 8e (1/4,0,z;0,my,0) (3/4,0,-z;0,-my,0) (-1/4,1,-z;0,my,0) (1/4,1,z;0,-my,0) 8d (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,1/2;0,my,0) (1/2,1,1/2;0,-my,0) (0,1,1/2;0,-my,0) (1/2,0,1/2;0,my,0) 8b (0,1/2,0;mx,0,mz) (1/2,-1/2,0;mx,0,-mz) (0,3/2,0;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) 8a (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1,0;0,0,0) (1/2,1,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2x|0,0,0) (2y|1/2,0,1/2) (-1|0,0,0) (mz|1/2,0,1/2) (mx|0,0,0) (my|1/2,0,1/2) (1|1/2,0,0)' (2z|0,0,1/2)' (2x|1/2,0,0)' (2y|0,0,1/2)' (-1|1/2,0,0)' (mz|0,0,1/2)' (mx|1/2,0,0)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32l (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 16k (x,y,1/4;mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (x,-y,3/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) (x+1/2,y,1/4;-mx,-my,0) (-x,y,1/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) 16j (1/4,y,z;0,my,mz) (1/4,-y,z+1/2;0,-my,mz) (1/4,-y,-z;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (3/4,-y,-z;0,my,mz) (3/4,y,-z+1/2;0,-my,mz) (3/4,y,z;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) 16i (0,y,z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,y,z;-mx,0,0) (0,-y,z+1/2;mx,0,0) (1/2,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) 16h (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 16g (x,3/4,0;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (x,1/4,0;0,-my,-mz) (-x+1/2,3/4,1/2;0,my,-mz) (-x,1/4,0;0,my,mz) (x+1/2,3/4,1/2;0,-my,mz) (-x,3/4,0;0,-my,-mz) (x+1/2,1/4,1/2;0,my,-mz) 8f (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8e (0,y,1/4;mx,0,0) (1/2,-y,3/4;-mx,0,0) (0,-y,3/4;mx,0,0) (1/2,y,1/4;-mx,0,0) 8d (1/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,0,1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;mx,0,0) 8b (1/4,3/4,0;0,my,mz) (1/4,1/4,1/2;0,-my,mz) (1/4,1/4,0;0,-my,-mz) (1/4,3/4,1/2;0,my,-mz) 8a (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) ---------- OG: 52.1.406 Pnna UNI: 52.305 Pnna.1 BNS: 52.305 Pnna Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) ---------- OG: 52.2.407 Pnna1' UNI: 52.306 Pnna.1' BNS: 52.306 Pnna1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 4d (x,1/4,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) 4c (1/4,0,z;0,0,0) (1/4,1/2,-z+1/2;0,0,0) (3/4,0,-z;0,0,0) (3/4,1/2,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 52.3.408 Pn'na UNI: 52.307 Pn'na BNS: 52.307 Pn'na Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 52.4.409 Pnn'a UNI: 52.308 Pnn'a BNS: 52.308 Pnn'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2) (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,1/2,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,-my,mz) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 52.5.410 Pnna' UNI: 52.309 Pnna' BNS: 52.309 Pnna' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0) (-1|0,0,0)' (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 52.6.411 Pn'n'a UNI: 52.310 Pn'n'a BNS: 52.310 Pn'n'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,mz) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,mz) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) ---------- OG: 52.7.412 Pnn'a' UNI: 52.311 Pnn'a' BNS: 52.311 Pnn'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|1/2,0,0)' (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,-1,0)+ (1,0,0)+ (0,-1,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) ---------- OG: 52.8.413 Pn'na' UNI: 52.312 Pn'na' BNS: 52.312 Pn'na' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|1/2,1/2,1/2) (2z|1/2,0,0)' (-1|0,0,0) (mx|0,1/2,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,0,-1)+ (0,1,0)+ (1,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,my,-mz) 4c (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;-mx,my,0) (3/4,0,-z;mx,my,0) (3/4,1/2,z+1/2;-mx,my,0) 4b (0,0,1/2;mx,my,mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,0;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) ---------- OG: 52.9.414 Pn'n'a' UNI: 52.313 Pn'n'a' BNS: 52.313 Pn'n'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4d (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 4c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 53.1.415 Pmna UNI: 53.321 Pmna.1 BNS: 53.321 Pmna Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- OG: 53.2.416 Pmna1' UNI: 53.322 Pmna.1' BNS: 53.322 Pmna1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4h (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z+1/2;0,0,0) (1/2,-y,z+1/2;0,0,0) 4g (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 4f (x,1/2,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 53.3.417 Pm'na UNI: 53.323 Pm'na BNS: 53.323 Pm'na Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,my,-mz) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 53.4.418 Pmn'a UNI: 53.324 Pmn'a BNS: 53.324 Pmn'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,1/2,0;0,-my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,-my,mz) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 53.5.419 Pmna' UNI: 53.325 Pmna' BNS: 53.325 Pmna' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,1/2,0;0,-my,-mz) (x+1/2,1/2,1/2;0,my,-mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 53.6.420 Pm'n'a UNI: 53.326 Pm'n'a BNS: 53.326 Pm'n'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,-my,mz) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 2d (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,-my,mz) 2c (1/2,1/2,0;0,my,mz) (0,1/2,1/2;0,-my,mz) 2b (1/2,0,0;0,my,mz) (0,0,1/2;0,-my,mz) 2a (0,0,0;0,my,mz) (1/2,0,1/2;0,-my,mz) ---------- OG: 53.7.421 Pmn'a' UNI: 53.327 Pmn'a' BNS: 53.327 Pmn'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 4g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;mx,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;mx,0,0) ---------- OG: 53.8.422 Pm'na' UNI: 53.328 Pm'na' BNS: 53.328 Pm'na' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (1,0,1)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,my,-mz) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,my,0) 4f (x,1/2,0;0,my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,1/2;0,my,-mz) 4e (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) 2d (0,1/2,0;0,my,mz) (1/2,1/2,1/2;0,my,-mz) 2c (1/2,1/2,0;0,my,mz) (0,1/2,1/2;0,my,-mz) 2b (1/2,0,0;0,my,mz) (0,0,1/2;0,my,-mz) 2a (0,0,0;0,my,mz) (1/2,0,1/2;0,my,-mz) ---------- OG: 53.9.423 Pm'n'a' UNI: 53.329 Pm'n'a' BNS: 53.329 Pm'n'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) 4g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 4f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 2d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 53.10.424 P_2bmna UNI: 53.331 Pmna.1'_b[Pmna] BNS: 53.331 P_bmna OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1,0)' (2x|0,1,0)' (2y|1/2,1,1/2)' (2z|1/2,1,1/2)' (-1|0,1,0)' (mx|0,1,0)' (my|1/2,1,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,-z;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x,y+1,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y+1,-z;-mx,0,0) (1/2,y+1,-z+1/2;mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (1/4,y+1,1/4;0,-my,0) (1/4,-y+1,-1/4;0,my,0) (-1/4,-y+1,-1/4;0,-my,0) (-1/4,y+1,1/4;0,my,0) 8f (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x+1/2,-1/2,1/2;0,-my,mz) (-x,-1/2,0;0,my,mz) (-x,1/2,0;0,-my,-mz) (x+1/2,-1/2,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1,0;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (-x,1,0;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4d (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (0,1,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1,0;-mx,0,0) (1/2,1,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8f (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x,1/4,0;0,-my,-mz) (x+1/2,3/4,1/2;0,my,-mz) (x+1/2,1/4,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 4d (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) 4c (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) ---------- OG: 53.11.425 P_2bm'na UNI: 60.428 Pbcn.1'_c[Pbmn] BNS: 60.428 P_cbcn OG-BNS transformation: (0,1/2,0;c,a,2b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1,1/2) (2z|1/2,1,1/2) (-1|0,1,0) (mx|0,1,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1,0)' (2x|0,1,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,1,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x,y+1,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y+1,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1,-z+1/2;0,my,-mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y+1,-z;0,my,mz) (0,y+1,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (1/4,y+1,1/4;-mx,0,-mz) (1/4,-y+1,3/4;-mx,0,mz) (-1/4,-y+1,-1/4;mx,0,mz) (-1/4,y+1,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8f (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x+1/2,3/2,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,1/2,0;0,my,mz) (-x,3/2,0;0,-my,-mz) (x+1/2,-1/2,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,1,1/2;-mx,0,0) (-x,1,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4d (0,1/2,0;0,my,mz) (0,-1/2,0;0,-my,-mz) (1/2,3/2,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) 4c (1/2,1/2,0;0,my,mz) (1/2,-1/2,0;0,-my,-mz) (0,3/2,1/2;0,my,-mz) (0,1/2,1/2;0,-my,mz) 4b (1/2,0,0;0,0,0) (0,1,1/2;0,0,0) (-1/2,1,0;0,0,0) (1,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1,0;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (2x|1/2,1/2,0) (-1|0,0,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (1|0,0,1/2)' (2y|0,0,0)' (2z|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (-1|0,0,1/2)' (my|0,0,0)' (mz|1/2,1/2,0)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8h (x,0,z;mx,0,mz) (-x,0,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) 8g (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,1/4,-z;mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) (1/4,3/4,z;mx,-my,0) 8f (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;-mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y,1/2;-mx,0,-mz) (1/2,y+1/2,1/2;-mx,0,mz) (1/2,y+1/2,0;mx,0,-mz) 8e (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (0,y,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 4d (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) (1/2,1/2,1/2;-mx,0,mz) (1/2,1/2,0;mx,0,-mz) 4c (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) (1/2,0,1/2;-mx,0,mz) (1/2,0,0;mx,0,-mz) 4b (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) ---------- OG: 53.12.426 P_2bmna' UNI: 58.400 Pnnm.1'_a[Pncm] BNS: 58.400 P_annm OG-BNS transformation: (0,1/2,0;2b,c,a) Operators (OG): (1|0,0,0) (2x|0,1,0) (2y|1/2,1,1/2) (2z|1/2,0,1/2) (-1|0,1,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,1,1/2) (1|0,1,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,1,1/2)' (-1|0,0,0)' (mx|0,1,0)' (my|1/2,1,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1,-z;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8h (0,y,z;mx,0,0) (0,-y+1,-z;mx,0,0) (1/2,y+1,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y+1,-1/4;mx,0,-mz) (1/4,y+1,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (-1/4,-y+1,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y+1,1/4;-mx,0,mz) 8f (x,1/2,0;mx,0,0) (-x+1/2,3/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,-1/2,1/2;-mx,0,0) (x,3/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,-1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x,1,0;0,-my,-mz) (-x+1/2,1,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,1,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) 4d (0,1/2,0;mx,0,0) (1/2,3/2,1/2;-mx,0,0) (0,3/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4c (1/2,1/2,0;mx,0,0) (0,3/2,1/2;-mx,0,0) (1/2,3/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4b (1/2,0,0;0,0,0) (1/2,1,0;0,0,0) (0,1,1/2;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (-1|0,0,0) (mz|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,0)' (2z|1/2,0,0)' (2x|0,1/2,1/2)' (2y|0,1/2,1/2)' (-1|1/2,0,0)' (mz|1/2,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8h (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,y,0;0,0,-mz) (-x+1/2,-y,0;0,0,-mz) (x,-y+1/2,1/2;0,0,mz) (-x,y+1/2,1/2;0,0,mz) 8g (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,3/4,3/4;0,my,mz) (x,1/4,3/4;0,-my,mz) (-x+1/2,3/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) 8f (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8e (3/4,0,z;mx,my,0) (1/4,0,z;-mx,-my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (1/4,0,-z;mx,my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4d (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,0;0,0,mz) 4b (3/4,0,1/2;0,0,0) (1/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) 4a (3/4,0,0;0,0,0) (1/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,1/2;0,0,0) ---------- OG: 53.13.427 P_2bm'na' UNI: 52.314 Pnna.1'_a[Pncm] BNS: 52.314 P_anna OG-BNS transformation: (0,0,0;2b,c,a) Operators (OG): (1|0,0,0) (2x|0,1,0) (2y|1/2,0,1/2) (2z|1/2,1,1/2) (-1|0,0,0) (mx|0,1,0) (my|1/2,0,1/2) (mz|1/2,1,1/2) (1|0,1,0)' (2x|0,0,0)' (2y|1/2,1,1/2)' (2z|1/2,0,1/2)' (-1|0,1,0)' (mx|0,0,0)' (my|1/2,1,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8h (0,y,z;0,my,mz) (0,-y+1,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (0,y+1,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y+1,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;0,my,0) (1/4,-y+1,3/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (3/4,y+1,1/4;0,-my,0) (1/4,y+1,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (-1/4,-y+1,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8f (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,-1/2,0;mx,0,0) (x+1/2,-1/2,1/2;-mx,0,0) (x,3/2,0;-mx,0,0) (-x+1/2,3/2,1/2;mx,0,0) (-x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x,1,0;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1/2,1,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x,1,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) 4d (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,0;0,0,0) (1,-1/2,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (1/2,1,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (0,1,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (0,1,0;0,-my,-mz) (1/2,0,1/2;0,my,-mz) (1/2,1,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2z|1/2,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (-1|0,0,0) (mz|1/2,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,0)' (2z|0,0,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,1/2)' (-1|1/2,0,0)' (mz|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,y,-z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8h (x,y,0;mx,my,0) (-x+1/2,-y,0;-mx,-my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;mx,my,0) (x+1/2,y,0;-mx,-my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) 8g (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 8f (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (3/4,0,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (1/4,0,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8e (0,0,z;mx,my,0) (1/2,0,z;-mx,-my,0) (0,1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (0,0,-z;mx,my,0) (1/2,0,-z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 4d (1/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) 4c (1/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) 4b (0,0,1/2;mx,my,0) (1/2,0,1/2;-mx,-my,0) (0,1/2,0;mx,-my,0) (1/2,1/2,0;-mx,my,0) 4a (0,0,0;mx,my,0) (1/2,0,0;-mx,-my,0) (0,1/2,1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) ---------- OG: 54.1.428 Pcca UNI: 54.337 Pcca.1 BNS: 54.337 Pcca Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) ---------- OG: 54.2.429 Pcca1' UNI: 54.338 Pcca.1' BNS: 54.338 Pcca1' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 4e (1/4,1/2,z;0,0,0) (3/4,1/2,-z+1/2;0,0,0) (3/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) 4d (1/4,0,z;0,0,0) (3/4,0,-z+1/2;0,0,0) (3/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) 4c (0,y,1/4;0,0,0) (1/2,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 54.3.430 Pc'ca UNI: 54.339 Pc'ca BNS: 54.339 Pc'ca Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (1/4,0,z+1/2;-mx,my,0) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 54.4.431 Pcc'a UNI: 54.340 Pcc'a BNS: 54.340 Pcc'a Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2) (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,0,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) (1/4,1/2,z+1/2;mx,-my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) (1/4,0,z+1/2;mx,-my,0) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 54.5.432 Pcca' UNI: 54.341 Pcca' BNS: 54.341 Pcca' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 54.6.433 Pc'c'a UNI: 54.342 Pc'c'a BNS: 54.342 Pc'c'a Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) ---------- OG: 54.7.434 Pcc'a' UNI: 54.343 Pcc'a' BNS: 54.343 Pcc'a' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) 4c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) ---------- OG: 54.8.435 Pc'ca' UNI: 54.344 Pc'ca' BNS: 54.344 Pc'ca' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,0,1/2) (2z|1/2,0,0)' (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,0,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;-mx,my,0) (3/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;-mx,my,0) 4d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,my,0) 4b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) ---------- OG: 54.9.436 Pc'c'a' UNI: 54.345 Pc'c'a' BNS: 54.345 Pc'c'a' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 4e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 4d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 4c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 54.10.437 P_2bcca UNI: 54.347 Pcca.1'_b[Pcca] BNS: 54.347 P_bcca OG-BNS transformation: (0,0,0;a,2b,c) Operators (OG): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,1/2)' (2y|0,1,1/2)' (2z|1/2,1,0)' (-1|0,1,0)' (mx|1/2,1,1/2)' (my|0,1,1/2)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8e (1/4,1/2,z;mx,my,0) (3/4,-1/2,-z+1/2;mx,-my,0) (-1/4,1/2,-z+1/2;-mx,my,0) (1/4,-1/2,z;-mx,-my,0) (-1/4,-1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,-1/2,z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (-1/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1,z;0,0,-mz) (3/4,1,-z+1/2;0,0,mz) (-1/4,1,-z;0,0,-mz) (1/4,1,z+1/2;0,0,mz) 8c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y+1,1/4;0,-my,0) (1/2,-y+1,1/4;0,my,0) (0,-y+1,-1/4;0,-my,0) (1/2,y+1,3/4;0,my,0) 8b (0,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1,0;-mx,-my,-mz) (1/2,1,1/2;-mx,my,mz) (0,1,1/2;mx,-my,mz) (1/2,1,0;mx,my,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8e (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8c (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8b (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) ---------- OG: 54.11.438 P_2bc'ca UNI: 60.426 Pbcn.1'_a[Pbcb] BNS: 60.426 P_abcn OG-BNS transformation: (0,1/2,0;2b,c,a) Operators (OG): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1,1/2) (2z|1/2,1,0) (-1|0,1,0) (mx|1/2,1,1/2) (my|0,0,1/2) (mz|1/2,0,0) (1|0,1,0)' (2x|1/2,1,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1,1/2)' (mz|1/2,1,0)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (0,0,1)+ (1,0,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z;mx,my,-mz) 8e (1/4,1/2,z;0,0,mz) (-1/4,3/2,-z+1/2;0,0,-mz) (-1/4,1/2,-z;0,0,mz) (1/4,-1/2,z+1/2;0,0,-mz) (1/4,3/2,z;0,0,-mz) (-1/4,1/2,-z+1/2;0,0,mz) (-1/4,-1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8d (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (-1/4,1,-z+1/2;-mx,my,0) (1/4,1,z;-mx,-my,0) (-1/4,1,-z;mx,my,0) (1/4,1,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) 8c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,y+1,1/4;-mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (0,-y+1,-1/4;mx,0,mz) (1/2,y+1,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8b (0,1/2,0;mx,my,mz) (1/2,-1/2,1/2;mx,-my,-mz) (0,3/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,3/2,0;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,-1/2,0;mx,my,-mz) 8a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1,1/2;0,0,0) (1/2,1,0;0,0,0) (0,1,0;0,0,0) (1/2,1,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,1/2,1/2) (2x|1/2,1/2,0) (2y|0,0,1/2) (-1|0,0,0) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (my|0,0,1/2) (1|1/2,0,0)' (2z|0,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,1/2)' (-1|1/2,0,0)' (mz|0,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,y+1/2,-z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8e (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (3/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,mz) (1/4,-y+1/2,3/4;mx,0,-mz) (1/4,y,1/4;-mx,0,-mz) (1/4,-y,3/4;mx,0,mz) (1/4,y+1/2,1/4;-mx,0,mz) (3/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) 8c (x,1/4,0;0,my,mz) (-x+1/2,1/4,1/2;0,-my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x,3/4,0;0,my,mz) (x+1/2,3/4,1/2;0,-my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,3/4,1/2;0,my,-mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,1/2;mx,my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) 8a (3/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,1/2,0;0,0,0) (1/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) ---------- OG: 54.12.439 P_2bcca' UNI: 56.372 Pccn.1'_b[Pcca] BNS: 56.372 P_bccn OG-BNS transformation: (0,1/2,0;a,2b,c) Operators (OG): (1|0,0,0) (2x|1/2,1,1/2) (2y|0,1,1/2) (2z|1/2,0,0) (-1|0,1,0) (mx|1/2,0,1/2) (my|0,0,1/2) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1,0)' (-1|0,0,0)' (mx|1/2,1,1/2)' (my|0,1,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,2,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y+1,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8e (1/4,1/2,z;mx,my,0) (3/4,1/2,-z+1/2;mx,-my,0) (-1/4,3/2,-z+1/2;-mx,my,0) (1/4,-1/2,z;-mx,-my,0) (-1/4,1/2,-z;mx,my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,-1/2,z+1/2;-mx,my,0) (3/4,3/2,-z;-mx,-my,0) 8d (1/4,0,z;0,0,mz) (3/4,1,-z+1/2;0,0,-mz) (-1/4,1,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1,z;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (-1/4,0,-z;0,0,-mz) (1/4,1,z+1/2;0,0,mz) 8c (0,y,1/4;mx,0,mz) (1/2,-y+1,1/4;mx,0,-mz) (0,y+1,1/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (0,-y+1,-1/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1,-1/4;-mx,0,mz) 8b (0,1/2,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,3/2,1/2;-mx,my,-mz) (1/2,-1/2,0;-mx,-my,mz) (0,3/2,0;-mx,-my,-mz) (1/2,-1/2,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 8a (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1,0;0,0,0) (1/2,0,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,0,1/2)' (2z|1/2,0,0)' (-1|0,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8e (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;mx,-my,0) (3/4,1/2,-z+1/2;-mx,my,0) (1/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) (1/4,1/2,z+1/2;-mx,my,0) (3/4,1/2,-z;-mx,-my,0) 8d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8c (0,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (0,-y+1/2,3/4;-mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,mz) 8b (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,1/2,0;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) 8a (0,3/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) (0,1/4,0;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) ---------- OG: 54.13.440 P_2bc'ca' UNI: 52.316 Pnna.1'_c[Pbaa] BNS: 52.316 P_cnna OG-BNS transformation: (0,0,0;c,a,2b) Operators (OG): (1|0,0,0) (2x|1/2,1,1/2) (2y|0,0,1/2) (2z|1/2,1,0) (-1|0,0,0) (mx|1/2,1,1/2) (my|0,0,1/2) (mz|1/2,1,0) (1|0,1,0)' (2x|1/2,0,1/2)' (2y|0,1,1/2)' (2z|1/2,0,0)' (-1|0,1,0)' (mx|1/2,0,1/2)' (my|0,1,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,2,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z;-mx,-my,mz) (x,y+1,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y+1,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8e (1/4,1/2,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (-1/4,-1/2,-z;0,0,mz) (1/4,3/2,z+1/2;0,0,-mz) (1/4,3/2,z;0,0,-mz) (3/4,-1/2,-z+1/2;0,0,mz) (-1/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8d (1/4,0,z;mx,my,0) (3/4,1,-z+1/2;mx,-my,0) (-1/4,0,-z+1/2;-mx,my,0) (1/4,1,z;-mx,-my,0) (-1/4,0,-z;mx,my,0) (1/4,1,z+1/2;mx,-my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,1,-z;-mx,-my,0) 8c (0,y,1/4;0,my,0) (1/2,-y+1,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1,-1/4;0,-my,0) (0,y+1,1/4;0,-my,0) (1/2,-y,1/4;0,my,0) (0,-y+1,-1/4;0,-my,0) (1/2,y,-1/4;0,my,0) 8b (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,3/2,1/2;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,3/2,0;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,mz) (0,1,0;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) Operators (BNS): (1|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (2x|0,1/2,1/2) (-1|0,0,0) (my|1/2,1/2,1/2) (mz|1/2,0,0) (mx|0,1/2,1/2) (1|0,0,1/2)' (2y|1/2,1/2,0)' (2z|1/2,0,1/2)' (2x|0,1/2,0)' (-1|0,0,1/2)' (my|1/2,1/2,0)' (mz|1/2,0,1/2)' (mx|0,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 8d (x,1/4,0;0,my,mz) (-x+1/2,3/4,1/2;0,my,-mz) (-x+1/2,3/4,0;0,-my,mz) (x,1/4,1/2;0,-my,-mz) (-x,3/4,0;0,my,mz) (x+1/2,1/4,1/2;0,my,-mz) (x+1/2,1/4,0;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) 8c (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8b (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) (0,1/2,0;-mx,my,mz) ---------- OG: 55.1.441 Pbam UNI: 55.353 Pbam.1 BNS: 55.353 Pbam Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 55.2.442 Pbam1' UNI: 55.354 Pbam.1' BNS: 55.354 Pbam1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (x,y,-z;0,0,0) 4h (x,y,1/2;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4g (x,y,0;0,0,0) (x+1/2,-y+1/2,0;0,0,0) (-x+1/2,y+1/2,0;0,0,0) (-x,-y,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 55.3.443 Pb'am UNI: 55.355 Pb'am BNS: 55.355 Pb'am Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,-mz) 4f (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z;-mx,my,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 55.4.444 Pbam' UNI: 55.356 Pbam' BNS: 55.356 Pbam' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 55.5.445 Pb'a'm UNI: 55.357 Pb'a'm BNS: 55.357 Pb'a'm Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4h (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- OG: 55.6.446 Pb'am' UNI: 55.358 Pb'am' BNS: 55.358 Pb'am' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0) (2z|0,0,0)' (-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;mx,my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;mx,my,0) 4f (0,1/2,z;mx,my,0) (1/2,0,-z;-mx,my,0) (0,1/2,-z;mx,my,0) (1/2,0,z;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z;-mx,my,0) (0,0,-z;mx,my,0) (1/2,1/2,z;-mx,my,0) 2d (0,1/2,1/2;mx,my,0) (1/2,0,1/2;-mx,my,0) 2c (0,1/2,0;mx,my,0) (1/2,0,0;-mx,my,0) 2b (0,0,1/2;mx,my,0) (1/2,1/2,1/2;-mx,my,0) 2a (0,0,0;mx,my,0) (1/2,1/2,0;-mx,my,0) ---------- OG: 55.7.447 Pb'a'm' UNI: 55.359 Pb'a'm' BNS: 55.359 Pb'a'm' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 4h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 55.8.448 P_2cbam UNI: 55.361 Pbam.1'_c[Pbam] BNS: 55.361 P_cbam OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x,-y,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (1/2,1,z+1;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4d (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,1/2;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1;0,0,-mz) (1/2,0,1;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,1;0,0,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4b (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 55.9.449 P_2cb'am UNI: 62.451 Pnma.1'_b[Pcma] BNS: 62.451 P_bnma OG-BNS transformation: (0,0,1/2;a,-2c,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1) (2z|0,0,1) (-1|0,0,1) (mx|1/2,1/2,1) (my|1/2,1/2,0) (mz|0,0,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-2)+ (0,1,0)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,3/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,1;0,0,mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,-mz) 8f (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,1,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) (0,-1/2,-z+1;mx,my,0) (1/2,1,z+1;mx,-my,0) (1/2,0,z;-mx,my,0) (0,1/2,-z;-mx,-my,0) 8e (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+1;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (1/2,1/2,z;-mx,my,0) (0,0,-z;-mx,-my,0) 4d (0,1/2,1/2;mx,my,0) (1/2,0,-1/2;mx,-my,0) (1/2,1,1/2;-mx,my,0) (0,-1/2,3/2;-mx,-my,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1;0,0,0) (0,-1/2,1;0,0,0) 4b (0,0,1/2;mx,my,0) (1/2,1/2,-1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (0,0,3/2;-mx,-my,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2z|1/2,0,1/2) (2y|0,1/2,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (mz|1/2,0,1/2) (my|0,1/2,0) (1|0,1/2,0)' (2x|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (2y|0,0,0)' (-1|0,1/2,0)' (mx|1/2,0,1/2)' (mz|1/2,1/2,1/2)' (my|0,0,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (x,-y,z;mx,-my,mz) 8h (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) (x,1/2,z;-mx,0,-mz) 8g (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (x,3/4,z;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,z+1/2;0,my,0) (-x,1/4,-z;0,-my,0) 8f (0,y,1/2;mx,0,mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y,1/2;mx,0,mz) (1/2,y+1/2,0;mx,0,-mz) (1/2,y,0;-mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) 8e (0,y,0;mx,0,mz) (1/2,-y+1/2,1/2;mx,0,-mz) (1/2,-y,1/2;-mx,0,mz) (0,y+1/2,0;-mx,0,-mz) (0,-y,0;mx,0,mz) (1/2,y+1/2,1/2;mx,0,-mz) (1/2,y,1/2;-mx,0,mz) (0,-y+1/2,0;-mx,0,-mz) 4d (0,0,1/2;mx,0,mz) (1/2,1/2,0;mx,0,-mz) (1/2,0,0;-mx,0,mz) (0,1/2,1/2;-mx,0,-mz) 4c (0,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) 4b (0,0,0;mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) (1/2,0,1/2;-mx,0,mz) (0,1/2,0;-mx,0,-mz) 4a (0,1/4,0;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (0,3/4,0;0,0,0) ---------- OG: 55.10.450 P_2cb'a'm UNI: 58.401 Pnnm.1'_c[Pbam] BNS: 58.401 P_cnnm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (1|0,0,1)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 8h (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x+1/2,-y+1/2,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (1/2,1,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,3/2;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1;0,0,-mz) (0,1/2,1;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,0;0,0,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 8g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) ---------- OG: 56.1.451 Pccn UNI: 56.365 Pccn.1 BNS: 56.365 Pccn Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) ---------- OG: 56.2.452 Pccn1' UNI: 56.366 Pccn.1' BNS: 56.366 Pccn1' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,0,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4d (1/4,3/4,z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 56.3.453 Pc'cn UNI: 56.367 Pc'cn BNS: 56.367 Pc'cn Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (3/4,1/4,-z;-mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;-mx,-my,0) (1/4,1/4,z+1/2;-mx,my,0) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 56.4.454 Pccn' UNI: 56.368 Pccn' BNS: 56.368 Pccn' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 56.5.455 Pc'c'n UNI: 56.369 Pc'c'n BNS: 56.369 Pc'c'n Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,1,0)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) ---------- OG: 56.6.456 Pc'cn' UNI: 56.370 Pc'cn' BNS: 56.370 Pc'cn' Operators: (1|0,0,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2) (2z|1/2,1/2,0)' (-1|0,0,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;mx,my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,1/4,-z;mx,my,0) (1/4,3/4,z+1/2;-mx,my,0) 4c (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;-mx,my,0) (3/4,3/4,-z;mx,my,0) (1/4,1/4,z+1/2;-mx,my,0) 4b (0,0,1/2;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;mx,my,-mz) ---------- OG: 56.7.457 Pc'c'n' UNI: 56.371 Pc'c'n' BNS: 56.371 Pc'c'n' Operators: (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4d (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 57.1.458 Pbcm UNI: 57.377 Pbcm.1 BNS: 57.377 Pbcm Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) ---------- OG: 57.2.459 Pbcm1' UNI: 57.378 Pbcm.1' BNS: 57.378 Pbcm1' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|0,0,0)' (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;0,0,0) (x,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) 4d (x,y,1/4;0,0,0) (x,-y+1/2,3/4;0,0,0) (-x,y+1/2,1/4;0,0,0) (-x,-y,3/4;0,0,0) 4c (x,1/4,0;0,0,0) (-x,3/4,1/2;0,0,0) (-x,3/4,0;0,0,0) (x,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 57.3.460 Pb'cm UNI: 57.379 Pb'cm BNS: 57.379 Pb'cm Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;-mx,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 57.4.461 Pbc'm UNI: 57.380 Pbc'm BNS: 57.380 Pbc'm Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2) (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,1/2,0) (my|0,1/2,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,my,-mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,-my,mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 57.5.462 Pbcm' UNI: 57.381 Pbcm' BNS: 57.381 Pbcm' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2) (-1|0,0,0)' (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;-mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (-x,-y,3/4;-mx,-my,0) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,-my,mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 57.6.463 Pb'c'm UNI: 57.382 Pb'c'm BNS: 57.382 Pb'c'm Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 4d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,mz) (-x,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (x,1/4,1/2;0,-my,mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (0,0,1/2;-mx,-my,mz) ---------- OG: 57.7.464 Pbc'm' UNI: 57.383 Pbc'm' BNS: 57.383 Pbc'm' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;mx,-my,0) (-x,-y,3/4;mx,my,0) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;mx,0,0) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (0,0,1/2;mx,my,-mz) ---------- OG: 57.8.465 Pb'cm' UNI: 57.384 Pb'cm' BNS: 57.384 Pb'cm' Operators: (1|0,0,0) (2x|0,1/2,0)' (2y|0,1/2,1/2) (2z|0,0,1/2)' (-1|0,0,0) (mx|0,1/2,0)' (my|0,1/2,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;-mx,my,0) (-x,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) 4c (x,1/4,0;0,my,mz) (-x,3/4,1/2;0,my,-mz) (-x,3/4,0;0,my,mz) (x,1/4,1/2;0,my,-mz) 4b (1/2,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;mx,my,-mz) ---------- OG: 57.9.466 Pb'c'm' UNI: 57.385 Pb'c'm' BNS: 57.385 Pb'c'm' Operators: (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0)' (mx|0,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 4d (x,y,1/4;mx,my,0) (x,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) 4c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 4b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 57.10.467 P_2abcm UNI: 57.386 Pbcm.1'_a[Pbcm] BNS: 57.386 P_abcm OG-BNS transformation: (0,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1,0,0)' (2x|1,1/2,0)' (2y|1,1/2,1/2)' (2z|1,0,1/2)' (-1|1,0,0)' (mx|1,1/2,0)' (my|1,1/2,1/2)' (mz|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;0,0,mz) (x,-y+1/2,-1/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1,y,1/4;0,0,-mz) (x+1,-y+1/2,-1/4;0,0,mz) (-x+1,y+1/2,1/4;0,0,mz) (-x+1,-y,3/4;0,0,-mz) 8c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,-1/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1,1/4,0;-mx,0,0) (-x+1,3/4,1/2;mx,0,0) (-x+1,-1/4,0;-mx,0,0) (x+1,1/4,1/2;mx,0,0) 8b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1,0,0;-mx,-my,-mz) (1,1/2,0;-mx,my,mz) (1,1/2,1/2;mx,-my,mz) (1,0,1/2;mx,my,-mz) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y,1/4;0,0,-mz) (x+1/2,-y+1/2,3/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 8c (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8b (1/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,0,0;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) ---------- OG: 57.11.468 P_2abc'm UNI: 62.452 Pnma.1'_c[Pbma] BNS: 62.452 P_cnma OG-BNS transformation: (1/2,0,0;b,c,2a) Operators (OG): (1|0,0,0) (2x|1,1/2,0) (2y|0,1/2,1/2) (2z|1,0,1/2) (-1|1,0,0) (mx|0,1/2,0) (my|1,1/2,1/2) (mz|0,0,1/2) (1|1,0,0)' (2x|0,1/2,0)' (2y|1,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|1,1/2,0)' (my|0,1/2,1/2)' (mz|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (2,0,0)+ 16e (x,y,z;mx,my,mz) (x+1,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1,-y,z+1/2;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;0,0,mz) (x+1,-y+1/2,-1/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x+1,-y,3/4;0,0,mz) (x+1,y,1/4;0,0,-mz) (x,-y+1/2,-1/4;0,0,mz) (-x+1,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8c (x,1/4,0;0,my,mz) (x+1,1/4,0;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1,-1/4,1/2;0,-my,mz) (-x+1,-1/4,0;0,my,mz) (-x,3/4,0;0,-my,-mz) (x+1,1/4,1/2;0,my,-mz) (x,1/4,1/2;0,-my,mz) 8b (1/2,0,0;mx,my,mz) (3/2,1/2,0;mx,-my,-mz) (-1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (3/2,0,0;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (-1/2,0,1/2;mx,my,-mz) 8a (0,0,0;0,0,0) (1,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (-1|0,0,0) (mz|1/2,0,1/2) (mx|1/2,1/2,1/2) (my|0,1/2,0) (1|0,0,1/2)' (2z|1/2,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (-1|0,0,1/2)' (mz|1/2,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) 8d (x,1/4,z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (x,1/4,z+1/2;0,-my,0) (-x+1/2,3/4,z;0,my,0) (x+1/2,1/4,-z;0,my,0) (-x,3/4,-z+1/2;0,-my,0) 8c (1/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,1/2,-z+1/2;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,0,-z;mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) (1/4,1/2,z+1/2;mx,-my,0) (1/4,1/2,z;-mx,my,0) 8b (0,0,0;mx,my,mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,0;mx,my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) 8a (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) ---------- OG: 57.12.469 P_2abcm' UNI: 61.438 Pbca.1'_a[Pbcm] BNS: 61.438 P_abca OG-BNS transformation: (1/2,0,0;2a,b,c) Operators (OG): (1|0,0,0) (2x|1,1/2,0) (2y|1,1/2,1/2) (2z|0,0,1/2) (-1|1,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|1,0,1/2) (1|1,0,0)' (2x|0,1/2,0)' (2y|0,1/2,1/2)' (2z|1,0,1/2)' (-1|0,0,0)' (mx|1,1/2,0)' (my|1,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (x+1,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;mx,my,0) (x+1,-y+1/2,-1/4;mx,-my,0) (-x+1,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) (-x+1,-y,-1/4;mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1,y,1/4;-mx,-my,0) 8c (x,1/4,0;0,my,mz) (x+1,1/4,0;0,-my,-mz) (-x+1,3/4,1/2;0,my,-mz) (-x,-1/4,1/2;0,-my,mz) (-x+1,-1/4,0;0,my,mz) (-x,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1,1/4,1/2;0,-my,mz) 8b (1/2,0,0;mx,my,mz) (3/2,1/2,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (-1/2,0,1/2;-mx,-my,mz) (3/2,0,0;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (-1/2,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 8a (0,0,0;0,0,0) (1,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,0,0)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,0,0)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y,1/4;-mx,-my,0) 8c (x,1/4,0;0,my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,3/4,1/2;0,-my,mz) (-x,3/4,0;0,my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,1/4,1/2;0,-my,mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,0,0;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (0,0,1/2;mx,my,-mz) 8a (3/4,0,0;0,0,0) (1/4,1/2,0;0,0,0) (1/4,1/2,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) ---------- OG: 57.13.470 P_2abc'm' UNI: 60.427 Pbcn.1'_b[Pmca] BNS: 60.427 P_bbcn OG-BNS transformation: (0,0,0;c,2a,b) Operators (OG): (1|0,0,0) (2x|0,1/2,0) (2y|1,1/2,1/2) (2z|1,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|1,1/2,1/2) (mz|1,0,1/2) (1|1,0,0)' (2x|1,1/2,0)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|1,0,0)' (mx|1,1/2,0)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (2,0,0)+ (0,1,0)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y,-z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (-x+1,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8d (x,y,1/4;mx,my,0) (x,-y+1/2,-1/4;mx,-my,0) (-x+1,y+1/2,1/4;-mx,my,0) (-x+1,-y,3/4;-mx,-my,0) (-x,-y,-1/4;mx,my,0) (-x,y+1/2,1/4;mx,-my,0) (x+1,-y+1/2,3/4;-mx,my,0) (x+1,y,1/4;-mx,-my,0) 8c (x,1/4,0;mx,0,0) (-x+1,-1/4,1/2;-mx,0,0) (-x,-1/4,0;mx,0,0) (x+1,1/4,1/2;-mx,0,0) (x+1,1/4,0;-mx,0,0) (-x,-1/4,1/2;mx,0,0) (-x+1,-1/4,0;-mx,0,0) (x,1/4,1/2;mx,0,0) 8b (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) (-1/2,1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) (3/2,0,1/2;0,0,0) 8a (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (1,1/2,1/2;-mx,my,-mz) (1,0,1/2;-mx,-my,mz) (1,0,0;-mx,-my,-mz) (1,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (0,0,1/2;mx,my,-mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (2x|1/2,1/2,0) (-1|0,0,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (1|0,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (2x|1/2,0,0)' (-1|0,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' (mx|1/2,0,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) 8d (1/4,y,z;0,my,mz) (3/4,y,-z+1/2;0,my,-mz) (1/4,-y+1/2,z+1/2;0,-my,mz) (3/4,-y+1/2,-z;0,-my,-mz) (3/4,-y,-z;0,my,mz) (1/4,-y,z+1/2;0,my,-mz) (3/4,y+1/2,-z+1/2;0,-my,mz) (1/4,y+1/2,z;0,-my,-mz) 8c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 8b (0,1/4,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,1/4,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,3/4,0;0,0,0) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,0;-mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) (1/2,0,0;-mx,my,mz) ---------- OG: 58.1.471 Pnnm UNI: 58.393 Pnnm.1 BNS: 58.393 Pnnm Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 58.2.472 Pnnm1' UNI: 58.394 Pnnm.1' BNS: 58.394 Pnnm1' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8h (x,y,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x,y,-z;0,0,0) 4g (x,y,0;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 58.3.473 Pn'nm UNI: 58.395 Pn'nm BNS: 58.395 Pn'nm Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 4f (0,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 58.4.474 Pnnm' UNI: 58.396 Pnnm' BNS: 58.396 Pnnm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 58.5.475 Pn'n'm UNI: 58.397 Pn'n'm BNS: 58.397 Pn'n'm Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 4g (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 58.6.476 Pnn'm' UNI: 58.398 Pnn'm' BNS: 58.398 Pnn'm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,-1,0)+ (1,0,0)+ (0,-1,1)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 4f (0,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) 4e (0,0,z;mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) 2d (0,1/2,1/2;mx,my,0) (1/2,0,0;mx,-my,0) 2c (0,1/2,0;mx,my,0) (1/2,0,1/2;mx,-my,0) 2b (0,0,1/2;mx,my,0) (1/2,1/2,0;mx,-my,0) 2a (0,0,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) ---------- OG: 58.7.477 Pn'n'm' UNI: 58.399 Pn'n'm' BNS: 58.399 Pn'n'm' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 4g (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 59.1.478 Pmmn UNI: 59.405 Pmmn.1 BNS: 59.405 Pmmn Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- OG: 59.2.479 Pmmn1' UNI: 59.406 Pmmn.1' BNS: 59.406 Pmmn1' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4f (x,1/4,z;0,0,0) (x+1/2,3/4,-z;0,0,0) (-x,3/4,-z;0,0,0) (-x+1/2,1/4,z;0,0,0) 4e (1/4,y,z;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y+1/2,-z;0,0,0) (1/4,-y+1/2,z;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- OG: 59.3.480 Pm'mn UNI: 59.407 Pm'mn BNS: 59.407 Pm'mn Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,my,0) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,my,-mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,my,0) (3/4,1/4,-z;0,-my,0) 2a (1/4,1/4,z;0,my,0) (3/4,3/4,-z;0,-my,0) ---------- OG: 59.4.481 Pmmn' UNI: 59.408 Pmmn' BNS: 59.408 Pmmn' Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,-my,0) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) 2a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) ---------- OG: 59.5.482 Pm'm'n UNI: 59.409 Pm'm'n BNS: 59.409 Pm'm'n Operators: (1|0,0,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,1,0)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;-mx,0,mz) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) 2a (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) ---------- OG: 59.6.483 Pmm'n' UNI: 59.410 Pmm'n' BNS: 59.410 Pmm'n' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) 4e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 4d (0,0,1/2;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 2b (1/4,3/4,z;mx,0,0) (3/4,1/4,-z;mx,0,0) 2a (1/4,1/4,z;mx,0,0) (3/4,3/4,-z;mx,0,0) ---------- OG: 59.7.484 Pm'm'n' UNI: 59.411 Pm'm'n' BNS: 59.411 Pm'm'n' Operators: (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (x,1/4,z;mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) 4e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,-mz) 2a (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) ---------- OG: 59.8.485 P_2cmmn UNI: 59.413 Pmmn.1'_c[Pmmn] BNS: 59.413 P_cmmn OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,1/2,1)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|1/2,0,1)' (my|0,1/2,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,-1/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,1/4,z+1;0,-my,0) (x+1/2,-1/4,-z+1;0,my,0) (-x,3/4,-z+1;0,-my,0) (-x+1/2,1/4,z+1;0,my,0) 8e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (-1/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y,z+1;-mx,0,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y+1/2,-z+1;mx,0,0) (1/4,-y+1/2,z+1;mx,0,0) 8d (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,1;-mx,my,mz) (0,1/2,1;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4b (1/4,3/4,z;0,0,0) (3/4,-3/4,-z;0,0,0) (1/4,3/4,z+1;0,0,0) (3/4,-3/4,-z+1;0,0,0) 4a (1/4,1/4,z;0,0,0) (3/4,-1/4,-z;0,0,0) (1/4,1/4,z+1;0,0,0) (3/4,-1/4,-z+1;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x,3/4,-z+1/2;0,-my,0) (-x+1/2,1/4,z+1/2;0,my,0) 8e (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) 8d (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4b (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 4a (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) ---------- OG: 59.9.486 P_2cm'mn UNI: 62.450 Pnma.1'_a[Pnmm] BNS: 62.450 P_anma OG-BNS transformation: (1/2,1/2,1/2;2c,-b,a) Operators (OG): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,1) (2z|1/2,1/2,1) (-1|0,0,1) (mx|1/2,0,1) (my|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1)' (2x|1/2,0,1)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,0,0)' (my|0,1/2,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,0,2)+ (0,-1,0)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (x,1/4,z;0,my,0) (x+1/2,-1/4,-z;0,-my,0) (-x,3/4,-z+1;0,my,0) (-x+1/2,1/4,z+1;0,-my,0) (x,1/4,z+1;0,-my,0) (x+1/2,-1/4,-z+1;0,my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,my,0) 8e (1/4,y,z;0,my,mz) (3/4,-y,-z;0,-my,-mz) (-1/4,y+1/2,-z+1;0,my,-mz) (1/4,-y+1/2,z+1;0,-my,mz) (-1/4,-y,-z+1;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y+1/2,z;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8d (0,0,1/2;mx,my,mz) (1/2,0,-1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,3/2;-mx,-my,mz) (0,0,3/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,-1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 8c (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) (1/2,0,1;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 4b (1/4,3/4,z;0,my,0) (3/4,-3/4,-z;0,-my,0) (-1/4,5/4,-z+1;0,my,0) (1/4,-1/4,z+1;0,-my,0) 4a (1/4,1/4,z;0,my,0) (3/4,-1/4,-z;0,-my,0) (-1/4,3/4,-z+1;0,my,0) (1/4,1/4,z+1;0,-my,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2y|0,1/2,0) (2x|1/2,1/2,1/2) (-1|0,0,0) (mz|1/2,0,1/2) (my|0,1/2,0) (mx|1/2,1/2,1/2) (1|1/2,0,0)' (2z|0,0,1/2)' (2y|1/2,1/2,0)' (2x|0,1/2,1/2)' (-1|1/2,0,0)' (mz|0,0,1/2)' (my|1/2,1/2,0)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,z;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y,-z;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) 8f (x,1/4,z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (x+1/2,1/4,z;0,-my,0) (-x,3/4,z+1/2;0,my,0) (-x+1/2,3/4,-z;0,-my,0) (x,1/4,-z+1/2;0,my,0) 8e (x,y,3/4;mx,my,0) (-x+1/2,-y,1/4;-mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,-y,1/4;mx,my,0) (x+1/2,y,3/4;-mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) 8d (0,1/2,1/2;mx,my,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,my,-mz) (1/2,0,1/2;mx,-my,mz) (0,0,0;-mx,my,mz) 8c (3/4,1/2,1/2;0,0,0) (3/4,1/2,0;0,0,0) (1/4,0,1/2;0,0,0) (1/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,1/2,0;0,0,0) (3/4,0,1/2;0,0,0) (3/4,0,0;0,0,0) 4b (x,3/4,3/4;0,my,0) (-x+1/2,1/4,1/4;0,-my,0) (-x,1/4,1/4;0,my,0) (x+1/2,3/4,3/4;0,-my,0) 4a (x,1/4,3/4;0,my,0) (-x+1/2,3/4,1/4;0,-my,0) (-x,3/4,1/4;0,my,0) (x+1/2,1/4,3/4;0,-my,0) ---------- OG: 59.10.487 P_2cm'm'n UNI: 56.373 Pccn.1'_c[Pmmn] BNS: 56.373 P_cccn OG-BNS transformation: (1/2,1/2,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,0,1) (2y|0,1/2,1) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1) (my|0,1/2,1) (mz|1/2,1/2,0) (1|0,0,1)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1)' (-1|0,0,1)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (x,1/4,z;mx,0,mz) (x+1/2,-1/4,-z+1;mx,0,-mz) (-x,3/4,-z+1;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x+1/2,1/4,z+1;mx,0,-mz) (x,1/4,z+1;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8e (1/4,y,z;0,my,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y+1/2,-z+1;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (-1/4,-y,-z;0,my,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y+1/2,z+1;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8c (0,0,0;mx,my,mz) (1/2,0,1;mx,-my,-mz) (0,1/2,1;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1;mx,my,-mz) 4b (1/4,3/4,z;0,0,mz) (3/4,-3/4,-z+1;0,0,-mz) (-1/4,-3/4,-z;0,0,mz) (1/4,3/4,z+1;0,0,-mz) 4a (1/4,1/4,z;0,0,mz) (3/4,-1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|0,0,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (x,3/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x,3/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8e (3/4,y,z;0,my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (1/4,-y,-z;0,my,mz) (3/4,y,z+1/2;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) 8d (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) 8c (1/2,1/2,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (0,0,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 4b (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 4a (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) ---------- OG: 60.1.488 Pbcn UNI: 60.417 Pbcn.1 BNS: 60.417 Pbcn Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) ---------- OG: 60.2.489 Pbcn1' UNI: 60.418 Pbcn.1' BNS: 60.418 Pbcn1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z+1/2;0,0,0) 4c (0,y,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 60.3.490 Pb'cn UNI: 60.419 Pb'cn BNS: 60.419 Pb'cn Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2) (mz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 60.4.491 Pbc'n UNI: 60.420 Pbc'n BNS: 60.420 Pbc'n Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2) (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0) (my|0,0,1/2)' (mz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 60.5.492 Pbcn' UNI: 60.421 Pbcn' BNS: 60.421 Pbcn' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2) (-1|0,0,0)' (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;mx,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 60.6.493 Pb'c'n UNI: 60.422 Pb'c'n BNS: 60.422 Pb'c'n Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,1,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;-mx,0,mz) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,1/2;-mx,-my,mz) ---------- OG: 60.7.494 Pbc'n' UNI: 60.423 Pbc'n' BNS: 60.423 Pbc'n' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) ---------- OG: 60.8.495 Pb'cn' UNI: 60.424 Pb'cn' BNS: 60.424 Pb'cn' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,0,1/2) (2z|1/2,1/2,1/2)' (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,0,1/2) (mz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,my,0) 4b (0,1/2,0;mx,my,mz) (1/2,0,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;mx,my,-mz) ---------- OG: 60.9.496 Pb'c'n' UNI: 60.425 Pb'c'n' BNS: 60.425 Pb'c'n' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 61.1.497 Pbca UNI: 61.433 Pbca.1 BNS: 61.433 Pbca Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) ---------- OG: 61.2.498 Pbca1' UNI: 61.434 Pbca.1' BNS: 61.434 Pbca1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 61.3.499 Pb'ca UNI: 61.435 Pb'ca BNS: 61.435 Pb'ca Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 61.4.500 Pb'c'a UNI: 61.436 Pb'c'a BNS: 61.436 Pb'c'a Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) ---------- OG: 61.5.501 Pb'c'a' UNI: 61.437 Pb'c'a' BNS: 61.437 Pb'c'a' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 62.1.502 Pnma UNI: 62.441 Pnma.1 BNS: 62.441 Pnma Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) ---------- OG: 62.2.503 Pnma1' UNI: 62.442 Pnma.1' BNS: 62.442 Pnma1' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 4c (x,1/4,z;0,0,0) (x+1/2,1/4,-z+1/2;0,0,0) (-x,3/4,-z;0,0,0) (-x+1/2,3/4,z+1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 62.3.504 Pn'ma UNI: 62.443 Pn'ma BNS: 62.443 Pn'ma Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,3/4,z+1/2;0,my,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 62.4.505 Pnm'a UNI: 62.444 Pnm'a BNS: 62.444 Pnm'a Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|0,1/2,0)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 62.5.506 Pnma' UNI: 62.445 Pnma' BNS: 62.445 Pnma' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x,3/4,-z;0,-my,0) (-x+1/2,3/4,z+1/2;0,-my,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 62.6.507 Pn'm'a UNI: 62.446 Pn'm'a BNS: 62.446 Pn'm'a Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,0;-mx,-my,mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,0,1/2;-mx,-my,mz) ---------- OG: 62.7.508 Pnm'a' UNI: 62.447 Pnm'a' BNS: 62.447 Pnm'a' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,-1,0)+ (1,0,0)+ (0,-1,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;mx,-my,mz) (1/2,0,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,0,1/2;mx,my,-mz) ---------- OG: 62.8.509 Pn'ma' UNI: 62.448 Pn'ma' BNS: 62.448 Pn'ma' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|0,1/2,0) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|1/2,1/2,1/2)' (my|0,1/2,0) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,my,0) 4b (0,0,1/2;mx,my,mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,0;mx,my,-mz) 4a (0,0,0;mx,my,mz) (1/2,1/2,1/2;-mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;mx,my,-mz) ---------- OG: 62.9.510 Pn'm'a' UNI: 62.449 Pn'm'a' BNS: 62.449 Pn'm'a' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 4c (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) 4b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 63.1.511 Cmcm UNI: 63.457 Cmcm.1 BNS: 63.457 Cmcm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,1/2;-mx,-my,mz) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) ---------- OG: 63.2.512 Cmcm1' UNI: 63.458 Cmcm.1' BNS: 63.458 Cmcm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) 8g (x,y,1/4;0,0,0) (x,-y,3/4;0,0,0) (-x,y,1/4;0,0,0) (-x,-y,3/4;0,0,0) 8f (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z+1/2;0,0,0) (0,-y,z+1/2;0,0,0) 8e (x,0,0;0,0,0) (-x,0,1/2;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 63.3.513 Cm'cm UNI: 63.459 Cm'cm BNS: 63.459 Cm'cm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2) (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1/2;0,-my,mz) (0,-y,z+1/2;0,my,-mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,mz) (0,-y,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 63.4.514 Cmc'm UNI: 63.460 Cmc'm BNS: 63.460 Cmc'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2) (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|0,0,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ (1/2,0,1/2)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 63.5.515 Cmcm' UNI: 63.461 Cmcm' BNS: 63.461 Cmcm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;-mx,my,0) (-x,y,1/4;mx,-my,0) (-x,-y,3/4;-mx,-my,0) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;-mx,0,0) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,my,-mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;mx,0,0) (0,-y,3/4;-mx,0,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 63.6.516 Cm'c'm UNI: 63.462 Cm'c'm BNS: 63.462 Cm'c'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2)' (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;-mx,-my,mz) 8g (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z+1/2;0,-my,mz) (0,-y,z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (3/4,1/4,1/2;mx,-my,mz) (3/4,3/4,1/2;-mx,-my,mz) 4c (0,y,1/4;0,0,mz) (0,-y,3/4;0,0,mz) 4b (0,1/2,0;0,my,mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (0,0,1/2;0,-my,mz) ---------- OG: 63.7.517 Cmc'm' UNI: 63.463 Cmc'm' BNS: 63.463 Cmc'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,1/4;mx,-my,0) (-x,-y,3/4;mx,my,0) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (3/4,1/4,1/2;mx,-my,mz) (3/4,3/4,1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) 4b (0,1/2,0;mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;mx,0,0) ---------- OG: 63.8.518 Cm'cm' UNI: 63.464 Cm'cm' BNS: 63.464 Cm'cm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,1/2) (2z|0,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|0,0,1/2) (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;-mx,my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;mx,my,0) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,my,-mz) 8e (x,0,0;0,my,mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x,0,1/2;0,my,-mz) 8d (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (3/4,1/4,1/2;-mx,my,-mz) (3/4,3/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,my,0) 4b (0,1/2,0;0,my,mz) (0,1/2,1/2;0,my,-mz) 4a (0,0,0;0,my,mz) (0,0,1/2;0,my,-mz) ---------- OG: 63.9.519 Cm'c'm' UNI: 63.465 Cm'c'm' BNS: 63.465 Cm'c'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 63.10.520 C_Pmcm UNI: 51.301 Pmma.1'_A[Amma] BNS: 51.301 P_Amma OG-BNS transformation: (0,0,0;c,a,b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x,-y,-1/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y+1/2,-1/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) 4b (0,1/2,0;mx,0,0) (0,-1/2,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (1/2,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (2z|1/2,0,0) (2x|1/2,0,0) (-1|0,0,0) (my|0,0,0) (mz|1/2,0,0) (mx|1/2,0,0) (1|0,1/2,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8g (1/4,y,z;mx,0,0) (3/4,y,-z;-mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,-y,-z;mx,0,0) (1/4,y+1/2,z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) (3/4,-y+1/2,-z+1/2;-mx,0,0) 8f (x,0,z;0,my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) (x+1/2,1/2,-z+1/2;0,my,0) 8e (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (0,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (0,-y+1/2,1/2;0,-my,0) (1/2,y+1/2,1/2;0,my,0) 8d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4c (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4b (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (0,1/2,0;0,-my,0) (1/2,1/2,0;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (0,1/2,1/2;0,-my,0) (1/2,1/2,1/2;0,my,0) ---------- OG: 63.11.521 C_Pm'cm UNI: 57.391 Pbcm.1'_C[Cmcm] BNS: 57.391 P_Cbcm OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x,-y,-1/4;0,0,-mz) (-x+1/2,y+1/2,1/4;0,0,-mz) (-x+1/2,-y+1/2,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y+1/2,-1/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z+1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,-1/4,0;mx,-my,-mz) (1/4,3/4,1/2;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,0;-mx,my,mz) (-1/4,1/4,1/2;mx,-my,mz) (-1/4,-1/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,0,mz) (0,-y,-1/4;0,0,-mz) (1/2,y+1/2,1/4;0,0,-mz) (1/2,-y+1/2,3/4;0,0,mz) 4b (0,1/2,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|1/2,0,0)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x,-y+1/2,3/4;0,0,-mz) (-x,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8f (3/4,y,z;0,my,mz) (3/4,-y+1/2,-z;0,-my,-mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (1/4,-y,-z;0,my,mz) (1/4,y+1/2,z;0,-my,-mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) 8e (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x+1/2,3/4,0;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,0;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4c (3/4,y,1/4;0,0,mz) (3/4,-y+1/2,3/4;0,0,-mz) (1/4,y+1/2,1/4;0,0,-mz) (1/4,-y,3/4;0,0,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 63.12.522 C_Pmc'm UNI: 59.414 Pmmn.1'_B[Bmmb] BNS: 59.414 P_Bmmn OG-BNS transformation: (-1/4,1/4,1/2;a,-c,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|1/2,1/2,0) (mx|0,0,0) (my|1/2,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x+1/2,-y+1/2,-1/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x+1/2,-y+1/2,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x,-y,-1/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) 8f (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,1/2,1/2;0,my,-mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,-mz) (-1/4,1/4,1/2;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,0;-mx,my,mz) (1/4,3/4,1/2;mx,-my,mz) (-1/4,-1/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,0,0) (1/2,-y+1/2,-1/4;0,0,0) (1/2,y+1/2,1/4;0,0,0) (0,-y,-1/4;0,0,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2z|1/2,1/2,0) (2y|0,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (mz|1/2,1/2,0) (my|0,1/2,0) (1|1/2,0,1/2)' (2x|0,0,1/2)' (2z|0,1/2,1/2)' (2y|1/2,1/2,1/2)' (-1|1/2,0,1/2)' (mx|0,0,1/2)' (mz|0,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8g (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x+1/2,1/4,z;0,-my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x,1/4,z+1/2;0,my,0) (-x+1/2,3/4,-z+1/2;0,-my,0) 8f (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (3/4,y,z+1/2;-mx,0,0) (1/4,-y,-z+1/2;-mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) (1/4,y+1/2,-z+1/2;mx,0,0) 8e (x,1/2,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,0,1/4;0,my,-mz) (-x,1/2,1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,0,1/4;0,-my,mz) (x,0,3/4;0,my,-mz) 8d (1/2,1/2,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,0,0;-mx,-my,mz) (1/2,0,0;-mx,my,-mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,my,-mz) (0,0,1/2;mx,-my,mz) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 4b (1/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) 4a (1/4,1/2,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) ---------- OG: 63.13.523 C_Pmcm' UNI: 62.453 Pnma.1'_A[Amma] BNS: 62.453 P_Anma OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1/2) (2z|0,0,1/2) (-1|1/2,1/2,0) (mx|0,0,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,-1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) (-x+1/2,-y+1/2,-1/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8d (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,-mz) (1/4,3/4,1/2;-mx,my,-mz) (-1/4,-1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,0;-mx,my,mz) (-1/4,1/4,1/2;mx,-my,mz) (1/4,1/4,1/2;mx,my,-mz) 4c (0,y,1/4;mx,0,0) (1/2,-y+1/2,-1/4;mx,0,0) (1/2,y+1/2,1/4;-mx,0,0) (0,-y,3/4;-mx,0,0) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (2z|1/2,0,1/2) (2x|1/2,1/2,1/2) (-1|0,0,0) (my|0,1/2,0) (mz|1/2,0,1/2) (mx|1/2,1/2,1/2) (1|0,1/2,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (2x|1/2,0,0)' (-1|0,1/2,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,0)' (mx|1/2,0,0)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) 8g (1/4,y,z;0,my,mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y,z+1/2;0,-my,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,-y,-z;0,my,mz) (1/4,-y+1/2,z;0,my,-mz) (3/4,y,-z+1/2;0,-my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) 8f (x,3/4,z;0,my,0) (-x,1/4,-z;0,my,0) (-x+1/2,1/4,z+1/2;0,-my,0) (x+1/2,3/4,-z+1/2;0,-my,0) (x,1/4,z+1/2;0,-my,0) (-x,3/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z;0,my,0) (x+1/2,1/4,-z;0,my,0) 8e (0,y,3/4;mx,0,mz) (0,y+1/2,1/4;-mx,0,-mz) (1/2,-y,1/4;-mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (0,-y,1/4;mx,0,mz) (0,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) 8d (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,-my,-mz) (0,0,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) (1/2,0,0;-mx,my,mz) 4c (1/4,3/4,z;0,my,0) (3/4,1/4,-z;0,my,0) (1/4,1/4,z+1/2;0,-my,0) (3/4,3/4,-z+1/2;0,-my,0) 4b (0,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) ---------- OG: 63.14.524 C_Pm'c'm UNI: 62.454 Pnma.1'_B[Bbmm] BNS: 62.454 P_Bnma OG-BNS transformation: (0,0,0;b,c,a) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8g (x,y,1/4;0,0,mz) (x+1/2,-y+1/2,-1/4;0,0,-mz) (-x+1/2,y+1/2,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x,-y,-1/4;0,0,mz) (-x,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1/2,1/2,1/2;0,my,-mz) (x,0,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (0,y,1/4;0,0,mz) (1/2,-y+1/2,-1/4;0,0,-mz) (1/2,y+1/2,1/4;0,0,-mz) (0,-y,3/4;0,0,mz) 4b (0,1/2,0;0,my,mz) (1/2,0,0;0,-my,-mz) (1/2,1,1/2;0,my,-mz) (0,-1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2z|1/2,0,1/2) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (-1|0,0,0) (mz|1/2,0,1/2) (mx|1/2,1/2,1/2) (my|0,1/2,0) (1|1/2,0,1/2)' (2z|0,0,0)' (2x|0,1/2,0)' (2y|1/2,1/2,1/2)' (-1|1/2,0,1/2)' (mz|0,0,0)' (mx|0,1/2,0)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,y,-z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8g (x,1/4,z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,z+1/2;0,-my,0) (-x,3/4,z;0,my,0) (x,1/4,-z;0,my,0) (-x+1/2,3/4,-z+1/2;0,-my,0) 8f (x,y,0;mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x,-y,0;mx,my,0) (x+1/2,y,1/2;-mx,-my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x,-y+1/2,0;-mx,my,0) 8e (0,0,z;mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,0,-z;mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,1/2,z;-mx,my,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) 4c (x,1/4,0;0,my,0) (-x+1/2,3/4,1/2;0,-my,0) (x+1/2,1/4,1/2;0,-my,0) (-x,3/4,0;0,my,0) 4b (1/2,0,0;mx,my,0) (0,0,1/2;-mx,-my,0) (0,1/2,1/2;mx,-my,0) (1/2,1/2,0;-mx,my,0) 4a (0,0,0;mx,my,0) (1/2,0,1/2;-mx,-my,0) (1/2,1/2,1/2;mx,-my,0) (0,1/2,0;-mx,my,0) ---------- OG: 63.15.525 C_Pmc'm' UNI: 58.402 Pnnm.1'_B[Bbmm] BNS: 58.402 P_Bnnm OG-BNS transformation: (0,0,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,-1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,-1/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (1/2,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 8e (x,0,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;mx,0,0) (0,-y,-1/4;mx,0,0) (1/2,y+1/2,1/4;-mx,0,0) (1/2,-y+1/2,3/4;-mx,0,0) 4b (0,1/2,0;mx,0,0) (1/2,1,1/2;-mx,0,0) (1/2,1,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,0,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (-1|0,0,0) (mz|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (2x|0,1/2,0)' (2y|0,1/2,0)' (-1|1/2,0,1/2)' (mz|1/2,0,1/2)' (mx|0,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 8g (x,1/4,z;mx,0,mz) (-x,3/4,z;-mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x+1/2,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x,1/4,-z;-mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) 8f (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,y,1/2;0,0,-mz) (-x+1/2,-y,1/2;0,0,-mz) (x,-y+1/2,0;0,0,mz) (-x,y+1/2,0;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z;0,0,mz) 8d (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) 4c (x,1/4,0;0,0,mz) (-x,3/4,0;0,0,mz) (x+1/2,1/4,1/2;0,0,-mz) (-x+1/2,3/4,1/2;0,0,-mz) 4b (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,0;0,0,mz) ---------- OG: 63.16.526 C_Pm'cm' UNI: 60.431 Pbcn.1'_C[Cmcm] BNS: 60.431 P_Cbcn OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,-1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,-1/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (-1/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,my,mz) (1/2,0,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8e (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x+1/2,1/2,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,0,1/2;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 8d (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,my,mz) (1/2,0,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) ---------- OG: 63.17.527 C_Pm'c'm' UNI: 52.318 Pnna.1'_B[Bbmm] BNS: 52.318 P_Bnna OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8g (x,y,1/4;mx,my,0) (x,-y,-1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,3/4;-mx,-my,0) (-x+1/2,-y+1/2,-1/4;mx,my,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8e (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x,0,1/2;mx,0,0) 8d (1/4,1/4,0;mx,my,mz) (1/4,-1/4,0;mx,-my,-mz) (-1/4,1/4,1/2;-mx,my,-mz) (-1/4,-1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,0;-mx,my,mz) (1/4,3/4,1/2;mx,-my,mz) (1/4,1/4,1/2;mx,my,-mz) 4c (0,y,1/4;0,my,0) (0,-y,3/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) 4b (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (-1|0,0,0) (mz|1/2,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,0,1/2)' (2z|0,0,1/2)' (2x|1/2,1/2,0)' (2y|0,1/2,0)' (-1|1/2,0,1/2)' (mz|0,0,1/2)' (mx|1/2,1/2,0)' (my|0,1/2,0)' Wyckoff positions (BNS): 16h (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) 8g (x,1/4,z;mx,0,mz) (-x+1/2,3/4,z;-mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x+1/2,3/4,-z+1/2;-mx,0,-mz) (-x,3/4,-z;mx,0,mz) (x+1/2,1/4,-z;-mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) 8f (x,y,3/4;mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (x,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x,-y,1/4;mx,my,0) (x+1/2,y,1/4;-mx,-my,0) (-x,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) 8e (3/4,0,z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8d (0,0,0;mx,my,mz) (1/2,0,0;-mx,-my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (0,0,1/2;mx,my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) 4c (x,1/4,3/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) 4b (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4a (3/4,0,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) ---------- OG: 64.1.528 Cmca UNI: 64.469 Cmca.1 BNS: 64.469 Cmca Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,my,-mz) (1/4,3/4,1/2;-mx,-my,mz) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- OG: 64.2.529 Cmca1' UNI: 64.470 Cmca.1' BNS: 64.470 Cmca1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16g (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) 8f (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z+1/2;0,0,0) (1/2,-y,z+1/2;0,0,0) 8e (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 8d (x,0,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 64.3.530 Cm'ca UNI: 64.471 Cm'ca BNS: 64.471 Cm'ca Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 64.4.531 Cmc'a UNI: 64.472 Cmc'a BNS: 64.472 Cmc'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ (1/2,0,1/2)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 64.5.532 Cmca' UNI: 64.473 Cmca' BNS: 64.473 Cmca' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 64.6.533 Cm'c'a UNI: 64.474 Cm'c'a BNS: 64.474 Cm'c'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,2)+ (0,-2,0)+ (1/2,1/2,1)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;-mx,-my,mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,-my,mz) (1/2,-y,z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,3/4,1/2;-mx,-my,mz) 4b (1/2,0,0;0,my,mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,0,1/2;0,-my,mz) ---------- OG: 64.7.534 Cmc'a' UNI: 64.475 Cmc'a' BNS: 64.475 Cmc'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;mx,-my,-mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,3/4,1/2;mx,my,-mz) 4b (1/2,0,0;mx,0,0) (0,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;mx,0,0) ---------- OG: 64.8.535 Cm'ca' UNI: 64.476 Cm'ca' BNS: 64.476 Cm'ca' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,1/2) (2z|1/2,0,1/2)' (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,1/2) (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,my,-mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;0,my,mz) (-x+1/2,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,1/2;0,my,-mz) 8c (1/4,1/4,0;mx,my,mz) (1/4,3/4,0;-mx,my,mz) (1/4,1/4,1/2;-mx,my,-mz) (1/4,3/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,my,mz) (0,0,1/2;0,my,-mz) 4a (0,0,0;0,my,mz) (1/2,0,1/2;0,my,-mz) ---------- OG: 64.9.536 Cm'c'a' UNI: 64.477 Cm'c'a' BNS: 64.477 Cm'c'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 64.10.537 C_Pmca UNI: 55.362 Pbam.1'_A[Acam] BNS: 55.362 P_Abam OG-BNS transformation: (0,0,0;c,-b,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1,1/2,1/2) (2z|1,1/2,1/2) (-1|0,0,0) (mx|0,0,0) (my|1,1/2,1/2) (mz|1,1/2,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1,y+1/2,-z+1/2;-mx,0,0) (1,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y+1/2,3/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (5/4,-y+1/2,3/4;-mx,0,-mz) (5/4,y+1/2,1/4;-mx,0,mz) 8d (x,0,0;mx,0,0) (-x+1,1/2,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (5/4,1/4,1/2;0,0,0) (5/4,3/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1,1/2,0;-mx,0,0) (0,0,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1,1/2,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1/2,0,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|1/2,1/2,0) (2x|1/2,1/2,0) (-1|0,0,0) (mz|0,0,0) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,1/2)' (2y|1/2,0,1/2)' (2x|1/2,0,1/2)' (-1|0,1/2,1/2)' (mz|0,1/2,1/2)' (my|1/2,0,1/2)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,y+1/2,-z+1/2;mx,my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 8f (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,-mz) (x,y+1/2,1/2;0,0,-mz) (-x,-y+1/2,1/2;0,0,-mz) (-x+1/2,y,1/2;0,0,mz) (x+1/2,-y,1/2;0,0,mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y,1/4;-mx,0,mz) (1/4,y+1/2,3/4;-mx,0,-mz) (3/4,-y+1/2,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (1/4,y,3/4;-mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y+1/2,1/4;mx,0,-mz) 8d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8c (0,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,1/2,0;0,0,-mz) (1/2,0,0;0,0,mz) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) ---------- OG: 64.11.538 C_Pm'ca UNI: 54.349 Pcca.1'_A[Abma] BNS: 54.349 P_Acca OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1,1/2,1/2) (mz|1,1/2,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1,1/2,1/2)' (2z|1,1/2,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1,-y+1/2,z+1/2;0,my,-mz) (1,y+1/2,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,-y+1/2,-1/4;0,my,0) (5/4,y+1/2,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,3/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,-1/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,my,-mz) (1/4,-1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,0;-mx,my,mz) (3/4,3/4,1/2;mx,-my,mz) (3/4,1/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2z|1/2,0,0) (2x|1/2,0,1/2) (-1|0,0,0) (my|0,0,1/2) (mz|1/2,0,0) (mx|1/2,0,1/2) (1|0,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (-1|0,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8f (x,3/4,z;mx,0,mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x,1/4,-z;mx,0,mz) (x,1/4,z+1/2;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) 8e (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,z;0,0,mz) 8d (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8c (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,0,0;-mx,-my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) (1/2,1/2,0;-mx,my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) ---------- OG: 64.12.539 C_Pmc'a UNI: 62.455 Pnma.1'_C[Ccmb] BNS: 62.455 P_Cnma OG-BNS transformation: (1/4,1/4,0;b,-a,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1,1/2,1/2) (2z|1/2,0,1/2) (-1|1/2,1/2,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1,y+1/2,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (1/4,-y+1/2,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (5/4,y+1/2,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1,1/2,1/2;0,-my,mz) 8c (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,-mz) (3/4,3/4,1/2;-mx,my,-mz) (1/4,-1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,0;-mx,my,mz) (1/4,1/4,1/2;mx,-my,mz) (3/4,1/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,1/2,0) (2x|1/2,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (my|0,1/2,0) (mx|1/2,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2y|1/2,0,0)' (2x|0,0,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (my|1/2,0,0)' (mx|0,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (x,1/4,z;0,my,0) (-x,3/4,-z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z;0,-my,0) (-x+1/2,1/4,-z;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x,1/4,z+1/2;0,my,0) 8e (x,0,1/4;0,my,mz) (-x,1/2,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,0,3/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,1/2,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,0,1/4;0,-my,mz) 8d (3/4,y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,-mz) (1/4,-y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,-mz) (3/4,y+1/2,1/2;mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 8c (0,0,0;mx,my,mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,0;mx,-my,mz) (0,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,my,-mz) 4b (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 64.13.540 C_Pmca' UNI: 57.390 Pbcm.1'_B[Bbcm] BNS: 57.390 P_Bbcm OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,0,1/2) (2z|1,1/2,1/2) (-1|1/2,1/2,0) (mx|0,0,0) (my|1,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1,1/2,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,0,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1,-y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1,y+1/2,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (1/4,-y+1/2,-1/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (5/4,y+1/2,1/4;0,my,0) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1,1/2,1/2;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;mx,my,mz) (3/4,1/4,0;mx,-my,-mz) (1/4,1/4,1/2;-mx,my,-mz) (3/4,1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (1/4,-1/4,0;-mx,my,mz) (3/4,3/4,1/2;mx,-my,mz) (1/4,-1/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (2x|0,1/2,0) (2y|0,1/2,1/2) (-1|0,0,0) (mz|0,0,1/2) (mx|0,1/2,0) (my|0,1/2,1/2) (1|1/2,0,1/2)' (2z|1/2,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (-1|1/2,0,1/2)' (mz|1/2,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z+1/2;-mx,-my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 8f (x,y,3/4;0,0,mz) (-x,-y,1/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (x+1/2,y,1/4;0,0,-mz) (-x+1/2,-y,3/4;0,0,-mz) (x+1/2,-y+1/2,3/4;0,0,mz) (-x+1/2,y+1/2,1/4;0,0,mz) 8e (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x+1/2,3/4,0;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;mx,0,0) 8d (3/4,0,z;mx,my,0) (1/4,0,z+1/2;-mx,-my,0) (3/4,1/2,-z;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (1/4,0,-z;mx,my,0) (3/4,0,-z+1/2;-mx,-my,0) (1/4,1/2,z;mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 8c (0,0,0;mx,my,mz) (0,0,1/2;-mx,-my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,0,0;mx,my,-mz) (1/2,1/2,1/2;-mx,my,mz) (1/2,1/2,0;mx,-my,mz) 4b (3/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) 4a (3/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) ---------- OG: 64.14.541 C_Pm'c'a UNI: 56.374 Pccn.1'_A[Abma] BNS: 56.374 P_Accn OG-BNS transformation: (0,0,0;c,a,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,0,1/2) (2z|1,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,0,1/2) (mz|1,1/2,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1,1/2,1/2)' (2z|1/2,0,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1,1/2,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (1,-y+1/2,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1,y+1/2,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (5/4,y+1/2,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (1/4,-y+1/2,-1/4;0,-my,0) (3/4,y,1/4;0,my,0) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1,1/2,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1,1/2,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) (5/4,3/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (1,1/2,0;0,-my,-mz) (0,0,1/2;0,my,-mz) (1/2,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,0,1/2;0,my,-mz) (1,1/2,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2x|1/2,0,1/2) (-1|0,0,0) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mx|1/2,0,1/2) (1|0,1/2,1/2)' (2y|0,0,0)' (2z|1/2,0,1/2)' (2x|1/2,1/2,0)' (-1|0,1/2,1/2)' (my|0,0,0)' (mz|1/2,0,1/2)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8f (x,0,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) 8e (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 8d (0,y,0;mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,0;-mx,0,mz) (1/2,-y,1/2;mx,0,-mz) (0,-y,0;mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) (1/2,y+1/2,0;-mx,0,mz) (1/2,y,1/2;mx,0,-mz) 8c (0,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4b (0,1/2,0;mx,0,mz) (0,0,1/2;-mx,0,-mz) (1/2,0,0;-mx,0,mz) (1/2,1/2,1/2;mx,0,-mz) 4a (0,0,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) (1/2,1/2,0;-mx,0,mz) (1/2,0,1/2;mx,0,-mz) ---------- OG: 64.15.542 C_Pmc'a' UNI: 53.335 Pmna.1'_C[Cmca] BNS: 53.335 P_Cmna OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1,1/2,1/2)' (2z|1,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1,1/2,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1,y+1/2,-z+1/2;mx,0,0) (1,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,-1/4;0,my,0) (1/4,-y+1/2,-1/4;0,-my,0) (1/4,y+1/2,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (1,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1,1/2,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (0,y+1/2,-z+1/2;mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 8e (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y+1/2,3/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (1/4,y+1/2,1/4;0,my,0) 8d (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x,1/2,1/2;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) ---------- OG: 64.16.543 C_Pm'ca' UNI: 61.439 Pbca.1'_C[Cmca] BNS: 61.439 P_Cbca OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|1,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|1,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (5/4,-y+1/2,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (5/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (1,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,y+1/2,-z+1/2;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,3/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (1/4,-y+1/2,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x,1/2,1/2;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 8c (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (1/2,0,0;0,my,mz) (0,1/2,0;0,-my,-mz) (1/2,1/2,1/2;0,my,-mz) (0,0,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,1/2;0,-my,mz) ---------- OG: 64.17.544 C_Pm'c'a' UNI: 60.429 Pbcn.1'_A[Abma] BNS: 60.429 P_Abcn OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1,1/2,1/2) (2z|1,1/2,1/2) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|1,1/2,1/2)' (mz|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16g (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1,y+1/2,-z+1/2;mx,my,-mz) 8f (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1,y+1/2,-z+1/2;0,my,-mz) (1,-y+1/2,z+1/2;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8e (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (3/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y+1/2,3/4;-mx,0,mz) (1/4,-y+1/2,-1/4;mx,0,mz) (1/4,y+1/2,1/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8d (x,0,0;mx,0,0) (-x+1,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8c (1/4,1/4,0;mx,my,mz) (1/4,-1/4,0;mx,-my,-mz) (3/4,3/4,1/2;-mx,my,-mz) (3/4,1/4,1/2;-mx,-my,mz) (3/4,3/4,0;-mx,-my,-mz) (3/4,1/4,0;-mx,my,mz) (1/4,1/4,1/2;mx,-my,mz) (1/4,-1/4,1/2;mx,my,-mz) 4b (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (2x|1/2,1/2,0) (-1|0,0,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (1|0,1/2,1/2)' (2y|0,1/2,0)' (2z|1/2,0,0)' (2x|1/2,0,1/2)' (-1|0,1/2,1/2)' (my|0,1/2,0)' (mz|1/2,0,0)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) 8f (x,3/4,z;mx,0,mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,1/4,-z;mx,0,mz) (x,1/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) (-x+1/2,1/4,z;mx,0,-mz) 8e (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (1/4,1/2,z+1/2;-mx,-my,0) (3/4,1/2,-z;mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,1/2,-z+1/2;-mx,-my,0) (1/4,1/2,z;mx,-my,0) 8d (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 8c (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,0,0;mx,my,-mz) (1/2,0,1/2;-mx,my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4a (0,3/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- OG: 65.1.545 Cmmm UNI: 65.481 Cmmm.1 BNS: 65.481 Cmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 65.2.546 Cmmm1' UNI: 65.482 Cmmm.1' BNS: 65.482 Cmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16r (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 8q (x,y,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,1/2;0,0,0) 8p (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 8o (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 8n (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 8m (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 65.3.547 Cm'mm UNI: 65.483 Cm'mm BNS: 65.483 Cm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z;-mx,my,0) 4l (0,1/2,z;0,my,0) (0,1/2,-z;0,-my,0) 4k (0,0,z;0,my,0) (0,0,-z;0,-my,0) 4j (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 4i (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 65.4.548 Cmmm' UNI: 65.484 Cmmm' BNS: 65.484 Cmmm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) 8o (x,0,z;0,my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,-my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,-mz) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;-mx,0,0) 4h (x,0,1/2;0,my,0) (-x,0,1/2;0,-my,0) 4g (x,0,0;0,my,0) (-x,0,0;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 65.5.549 Cm'm'm UNI: 65.485 Cm'm'm BNS: 65.485 Cm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 8o (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4j (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 2d (0,0,1/2;0,0,mz) 2c (1/2,0,1/2;0,0,mz) 2b (1/2,0,0;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 65.6.550 Cmm'm' UNI: 65.486 Cmm'm' BNS: 65.486 Cmm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,0) (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;mx,-my,0) (-x,-y,0;mx,my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) 4l (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) 4k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,1/2;mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) 4h (x,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;mx,0,0) 4f (1/4,1/4,1/2;mx,my,0) (1/4,3/4,1/2;mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) 2d (0,0,1/2;mx,0,0) 2c (1/2,0,1/2;mx,0,0) 2b (1/2,0,0;mx,0,0) 2a (0,0,0;mx,0,0) ---------- OG: 65.7.551 Cm'm'm' UNI: 65.487 Cm'm'm' BNS: 65.487 Cm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) 2b (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 65.8.552 C_2cmmm UNI: 65.488 Cmmm.1'_c[Cmmm] BNS: 65.488 C_cmmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z+1;mx,0,0) (0,-y,z+1;mx,0,0) 16m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,1/4,z+1;0,0,mz) 8l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (0,-1/2,-z+1;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1;0,0,0) (0,-y,1;0,0,0) 8h (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (-x,0,1;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,0;0,0,-mz) (1/4,1/4,1;0,0,-mz) (1/4,-1/4,1;0,0,mz) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8j (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 8h (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,1/4,1/2;0,0,-mz) (1/4,3/4,1/2;0,0,mz) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 65.9.553 C_Pmmm UNI: 47.255 Pmmm.1'_C[Cmmm] BNS: 47.255 P_Cmmm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,-1/2;0,0,mz) (-x+1/2,y+1/2,-1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (1/2,1,z;0,0,0) (1/2,0,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,-1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,-1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4j (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4i (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 4g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 65.10.554 C_Immm UNI: 71.538 Immm.1'_c[Cmmm] BNS: 71.538 I_cmmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z+1;mx,0,0) (0,-y,z+1;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (0,-1/2,-z+1;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (0,y,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1;0,0,0) (0,-y,1;0,0,0) 8h (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (-x,0,1;0,0,0) 8f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,-1/2;mx,-my,0) (-1/4,1/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8k (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8j (0,y,1/4;mx,0,0) (0,-y,3/4;mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,1/4;-mx,0,0) 8i (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 8h (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) 8f (1/4,1/4,1/4;mx,my,0) (1/4,3/4,3/4;mx,-my,0) (3/4,1/4,3/4;-mx,my,0) (3/4,3/4,1/4;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 65.11.555 C_2cm'm'm UNI: 66.498 Cccm.1'_c[Cmmm] BNS: 66.498 C_cccm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8l (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 8j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,3/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,1;0,0,-mz) (1/4,1/4,1;0,0,-mz) (1/4,-1/4,0;0,0,mz) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,z;0,0,mz) 8l (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,1/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 65.12.556 C_2cmm'm' UNI: 63.466 Cmcm.1'_c[Cmmm] BNS: 63.466 C_cmcm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (-1|0,0,0) (mx|0,0,0) (my|0,0,1) (mz|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,1)' (mx|0,0,1)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,3/2;0,0,mz) (x,y,3/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,-1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 16p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,1;-mx,my,0) (-x,-y,1;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,1;-mx,my,0) (x,y,1;-mx,-my,0) 16o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z+1;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z+1;-mx,0,mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1;-mx,0,0) (0,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z+1;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) (1/4,1/4,-z+1;-mx,-my,0) 8l (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z+1;-mx,0,0) (0,-1/2,z+1;-mx,0,0) 8k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (0,0,-z+1;-mx,0,0) (0,0,z+1;-mx,0,0) 8j (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (0,y,3/2;0,0,0) (0,-y,1/2;0,0,0) 8i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (0,y,1;-mx,0,0) (0,-y,1;-mx,0,0) 8h (x,0,1/2;0,0,mz) (x,0,-1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,3/2;0,0,mz) 8g (x,0,0;mx,0,0) (-x,0,1;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1;-mx,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,3/2;0,0,0) 8e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (-1/4,1/4,1;-mx,my,0) (-1/4,-1/4,1;-mx,-my,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4b (1/2,0,0;mx,0,0) (-1/2,0,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|0,0,1/2) (mz|0,0,1/2) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16q (x,y,1/4;0,0,mz) (x,-y,3/4;0,0,-mz) (-x,y,1/4;0,0,-mz) (-x,-y,3/4;0,0,mz) (x,y,3/4;0,0,-mz) (x,-y,1/4;0,0,mz) (-x,y,3/4;0,0,mz) (-x,-y,1/4;0,0,-mz) 16p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,1/2;-mx,-my,0) 16o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z+1/2;-mx,0,mz) 16n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z+1/2;-mx,-my,0) 8l (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) (0,1/2,-z+1/2;-mx,0,0) (0,1/2,z+1/2;-mx,0,0) 8k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (0,0,-z+1/2;-mx,0,0) (0,0,z+1/2;-mx,0,0) 8j (0,y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) (0,-y,1/4;0,0,0) 8i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (0,y,1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 8h (x,0,1/4;0,0,mz) (x,0,3/4;0,0,-mz) (-x,0,1/4;0,0,-mz) (-x,0,3/4;0,0,mz) 8g (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) (3/4,1/4,1/2;-mx,my,0) (3/4,3/4,1/2;-mx,-my,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) ---------- OG: 65.13.557 C_Pm'mm UNI: 51.302 Pmma.1'_B[Bmmm] BNS: 51.302 P_Bmma OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,0) (2z|1/2,1/2,0) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x+1/2,y+1/2,-1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,-1/2;0,0,mz) (-x,y,-1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x+1/2,-y+1/2,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x+1/2,1/2,-z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1/2,-z;0,my,-mz) (1/2,-y+1/2,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) 8m (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,-1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 4l (0,1/2,z;0,my,0) (0,-1/2,-z;0,-my,0) (1/2,1,-z;0,my,0) (1/2,0,z;0,-my,0) 4k (0,0,z;0,my,0) (0,0,-z;0,-my,0) (1/2,1/2,-z;0,my,0) (1/2,1/2,z;0,-my,0) 4j (0,y,1/2;0,0,mz) (0,-y,-1/2;0,0,-mz) (1/2,y+1/2,-1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,0;0,0,mz) 4h (x,0,1/2;0,0,0) (-x+1/2,1/2,-1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x,0,-1/2;0,0,0) 4g (x,0,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x,0,0;0,0,0) 4f (1/4,1/4,1/2;0,0,mz) (1/4,3/4,-1/2;0,0,-mz) (3/4,3/4,1/2;0,0,-mz) (-1/4,1/4,-1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (3/4,3/4,0;0,0,-mz) (-1/4,1/4,0;0,0,mz) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,0) (2x|1/2,0,0) (2y|0,0,0) (-1|0,0,0) (mz|1/2,0,0) (mx|1/2,0,0) (my|0,0,0) (1|1/2,0,1/2)' (2z|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (-1|1/2,0,1/2)' (mz|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8q (x,1/2,z;0,my,0) (-x+1/2,1/2,z;0,-my,0) (x+1/2,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) (x,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) 8p (x,0,z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (x+1/2,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) (x,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) 8o (3/4,y,z;mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (1/4,y,z+1/2;-mx,0,0) (1/4,-y,z+1/2;mx,0,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y,-z+1/2;mx,0,0) 8n (x,y,3/4;mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;mx,my,0) (x+1/2,y,1/4;-mx,-my,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) 8m (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,y,1/2;0,my,0) 4l (1/4,y,3/4;mx,0,0) (1/4,-y,3/4;-mx,0,0) (3/4,-y,1/4;mx,0,0) (3/4,y,1/4;-mx,0,0) 4k (3/4,y,3/4;mx,0,0) (3/4,-y,3/4;-mx,0,0) (1/4,-y,1/4;mx,0,0) (1/4,y,1/4;-mx,0,0) 4j (x,1/2,3/4;0,my,0) (-x+1/2,1/2,3/4;0,-my,0) (x+1/2,1/2,1/4;0,-my,0) (-x,1/2,1/4;0,my,0) 4i (x,0,3/4;0,my,0) (-x+1/2,0,3/4;0,-my,0) (x+1/2,0,1/4;0,-my,0) (-x,0,1/4;0,my,0) 4h (3/4,1/2,z;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,1/2,z+1/2;0,0,0) (3/4,1/2,-z+1/2;0,0,0) 4g (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,0,z+1/2;0,0,0) (3/4,0,-z+1/2;0,0,0) 4f (0,1/2,0;0,my,0) (1/2,1/2,0;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) 4e (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,0,1/2;0,-my,0) (0,0,1/2;0,my,0) 2d (3/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) 2c (3/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) 2b (3/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 2a (3/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) ---------- OG: 65.14.558 C_Pmmm' UNI: 59.415 Pmmn.1'_C[Cmmm] BNS: 59.415 P_Cmmn OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|1/2,1/2,0) (mx|0,0,0) (my|0,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1/2,-y+1/2,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,0,z;0,my,0) (x+1/2,1/2,-z;0,-my,0) (-x+1/2,1/2,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1/2,1/2,z;0,my,0) 8n (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y+1/2,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (1/2,1,z;0,0,0) (0,-1/2,-z;0,0,0) 4k (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z;0,0,0) (0,0,-z;0,0,0) 4j (0,y,1/2;mx,0,0) (1/2,-y+1/2,-1/2;mx,0,0) (1/2,y+1/2,-1/2;-mx,0,0) (0,-y,1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (1/2,-y+1/2,0;mx,0,0) (1/2,y+1/2,0;-mx,0,0) (0,-y,0;-mx,0,0) 4h (x,0,1/2;0,my,0) (x+1/2,1/2,-1/2;0,-my,0) (-x+1/2,1/2,-1/2;0,my,0) (-x,0,1/2;0,-my,0) 4g (x,0,0;0,my,0) (x+1/2,1/2,0;0,-my,0) (-x+1/2,1/2,0;0,my,0) (-x,0,0;0,-my,0) 4f (1/4,1/4,1/2;mx,my,0) (3/4,1/4,-1/2;mx,-my,0) (1/4,3/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (3/4,1/4,0;mx,-my,0) (1/4,3/4,0;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (1,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,0;mx,-my,0) (x,-y+1/2,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,1/4,z;0,my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x+1/2,3/4,z;0,-my,0) (x,1/4,-z;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x,3/4,z;0,my,0) 8n (1/4,y,z;mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,y+1/2,z;-mx,0,0) (1/4,-y+1/2,-z;-mx,0,0) (1/4,y,-z;mx,0,0) (3/4,-y,z;mx,0,0) 8m (1/2,1/2,z;mx,my,0) (0,1/2,-z;mx,-my,0) (1/2,0,-z;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (0,1/2,z;mx,-my,0) (1/2,0,z;-mx,my,0) (0,0,-z;-mx,-my,0) 4l (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) 4k (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) (1/4,1/4,-z;0,0,0) 4j (1/4,y,1/2;mx,0,0) (3/4,-y,1/2;mx,0,0) (3/4,y+1/2,1/2;-mx,0,0) (1/4,-y+1/2,1/2;-mx,0,0) 4i (1/4,y,0;mx,0,0) (3/4,-y,0;mx,0,0) (3/4,y+1/2,0;-mx,0,0) (1/4,-y+1/2,0;-mx,0,0) 4h (x,1/4,1/2;0,my,0) (x+1/2,3/4,1/2;0,-my,0) (-x,3/4,1/2;0,my,0) (-x+1/2,1/4,1/2;0,-my,0) 4g (x,1/4,0;0,my,0) (x+1/2,3/4,0;0,-my,0) (-x,3/4,0;0,my,0) (-x+1/2,1/4,0;0,-my,0) 4f (1/2,1/2,1/2;mx,my,0) (0,1/2,1/2;mx,-my,0) (1/2,0,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (0,1/2,0;mx,-my,0) (1/2,0,0;-mx,my,0) (0,0,0;-mx,-my,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 65.15.559 C_Pm'm'm UNI: 55.363 Pbam.1'_C[Cmmm] BNS: 55.363 P_Cbam OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,-1/2;0,0,-mz) (-x+1/2,y+1/2,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,-1/2;0,0,mz) (-x,y,-1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (0,y,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z;0,0,-mz) 4k (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,0,mz) (1/2,-y+1/2,-1/2;0,0,-mz) (1/2,y+1/2,-1/2;0,0,-mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (x+1/2,1/2,-1/2;0,0,-mz) (-x+1/2,1/2,-1/2;0,0,-mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (x+1/2,1/2,0;0,0,-mz) (-x+1/2,1/2,0;0,0,-mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,-1/2;0,0,0) (1/4,3/4,-1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) 2d (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (1,1/2,-1/2;0,0,-mz) 2b (1/2,0,0;0,0,mz) (1,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8q (x,y,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8o (x,0,z;mx,0,mz) (x+1/2,1/2,-z;mx,0,-mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (1/2,-y+1/2,-z;0,-my,-mz) (1/2,y+1/2,-z;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (0,y,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4k (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,1/2;0,0,mz) 4i (0,y,0;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,0;0,0,mz) 4h (x,0,1/2;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,1/2;0,0,mz) 4g (x,0,0;0,0,mz) (x+1/2,1/2,0;0,0,-mz) (-x+1/2,1/2,0;0,0,-mz) (-x,0,0;0,0,mz) 4f (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,0;0,0,0) 2d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 65.16.560 C_Pmm'm' UNI: 53.334 Pmna.1'_B[Bmmm] BNS: 53.334 P_Bmna OG-BNS transformation: (0,0,0;a,-c,b) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y+1/2,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,1/2,-z;-mx,0,-mz) (-x+1/2,1/2,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,-z;-mx,0,0) (1/2,-y+1/2,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 8m (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,3/4,z;0,0,mz) 4l (0,1/2,z;mx,0,0) (0,-1/2,-z;mx,0,0) (1/2,1,-z;-mx,0,0) (1/2,0,z;-mx,0,0) 4k (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,1/2,-z;-mx,0,0) (1/2,1/2,z;-mx,0,0) 4j (0,y,1/2;mx,0,0) (0,-y,-1/2;mx,0,0) (1/2,y+1/2,-1/2;-mx,0,0) (1/2,-y+1/2,1/2;-mx,0,0) 4i (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y+1/2,0;-mx,0,0) (1/2,-y+1/2,0;-mx,0,0) 4h (x,0,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,1/2,-1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,0;0,0,0) 2d (0,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,1/2,0;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,1/2,0;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2z|1/2,0,1/2) (2y|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (mz|1/2,0,1/2) (my|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2z|0,0,0)' (2y|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (mz|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,y,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) 8q (x,1/2,z;mx,0,mz) (x,1/2,-z;mx,0,-mz) (-x+1/2,1/2,z+1/2;-mx,0,mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 8p (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) (x+1/2,0,z+1/2;-mx,0,-mz) 8o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,y,1/2;-mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) 8n (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,-y,z;mx,0,0) (0,y,-z;mx,0,0) 8m (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 4l (0,y,1/2;mx,0,0) (0,-y,1/2;mx,0,0) (1/2,-y,0;-mx,0,0) (1/2,y,0;-mx,0,0) 4k (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,-y,1/2;-mx,0,0) (1/2,y,1/2;-mx,0,0) 4j (0,1/2,z;mx,0,0) (0,1/2,-z;mx,0,0) (1/2,1/2,z+1/2;-mx,0,0) (1/2,1/2,-z+1/2;-mx,0,0) 4i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,z+1/2;-mx,0,0) (1/2,0,-z+1/2;-mx,0,0) 4h (x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 4f (1/4,1/2,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4e (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 2d (0,1/2,0;mx,0,0) (1/2,1/2,1/2;-mx,0,0) 2c (1/2,1/2,0;mx,0,0) (0,1/2,1/2;-mx,0,0) 2b (1/2,0,0;mx,0,0) (0,0,1/2;-mx,0,0) 2a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- OG: 65.17.561 C_Pm'm'm' UNI: 50.287 Pban.1'_C[Cmmm] BNS: 50.287 P_Cban OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x+1/2,-y+1/2,-1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,-1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (x+1/2,-y+1/2,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,-z;mx,0,mz) (-x+1/2,1/2,z;mx,0,-mz) (x+1/2,1/2,z;-mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 8n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,-z;0,-my,mz) 8m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,1/4,-z;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 4l (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4j (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,-y+1/2,-1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 4i (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,0;0,-my,0) 4h (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 4g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) 4f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,-1/2;mx,-my,0) (-1/4,1/4,-1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (-1/4,1/4,0;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 2c (1/2,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 2b (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16r (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8q (x,y,1/2;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8p (x,y,0;mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x+1/2,y,0;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,0;mx,-my,0) (x+1/2,-y,0;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8o (x,1/4,z;mx,0,mz) (x,1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8n (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z;0,-my,-mz) (1/4,y,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,z;0,-my,-mz) (3/4,-y,z;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8m (1/2,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z;mx,-my,0) (0,1/2,z;-mx,my,0) (0,0,-z;-mx,-my,0) 4l (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 4k (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) 4j (1/4,y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y+1/2,1/2;0,-my,0) 4i (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) 4h (x,1/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) 4g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) 4f (1/2,1/2,1/2;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (0,0,1/2;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (1/2,0,0;mx,-my,0) (0,1/2,0;-mx,my,0) (0,0,0;-mx,-my,0) 2d (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2c (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 65.18.562 C_Im'mm UNI: 74.562 Imma.1'_b[Bmmm] BNS: 74.562 I_bmma OG-BNS transformation: (0,0,1/2;b,2c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (-1|0,0,1) (mx|0,0,1) (my|0,0,0) (mz|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,-1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,3/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,1;0,0,mz) (x,y,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 16o (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z+1;0,my,0) (-x,0,z+1;0,-my,0) (x,0,z+1;0,-my,0) (x,0,-z+1;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 16n (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z+1;0,-my,mz) (0,-y,-z+1;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;0,0,mz) (-1/4,1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z+1;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (1/4,-1/4,z+1;0,0,mz) 8l (0,1/2,z;0,my,0) (0,-1/2,-z;0,-my,0) (0,1/2,-z+1;0,my,0) (0,-1/2,z+1;0,-my,0) 8k (0,0,z;0,my,0) (0,0,-z;0,-my,0) (0,0,-z+1;0,my,0) (0,0,z+1;0,-my,0) 8j (0,y,1/2;0,my,0) (0,-y,3/2;0,-my,0) (0,-y,1/2;0,my,0) (0,y,-1/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,1;0,0,mz) 8h (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,1/2;0,my,0) (-x,0,3/2;0,-my,0) 8g (x,0,0;0,0,0) (-x,0,1;0,0,0) (x,0,1;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,0,mz) (-1/4,1/4,1;0,0,-mz) (1/4,1/4,1;0,0,-mz) (-1/4,1/4,0;0,0,mz) 4d (0,0,1/2;0,my,0) (0,0,3/2;0,-my,0) 4c (1/2,0,1/2;0,my,0) (-1/2,0,3/2;0,-my,0) 4b (1/2,0,0;0,0,0) (-1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,1/2,0) (2x|0,0,0) (2y|0,1/2,0) (-1|0,0,0) (mz|0,1/2,0) (mx|0,0,0) (my|0,1/2,0) (1|0,1/2,0)' (2z|0,0,0)' (2x|0,1/2,0)' (2y|0,0,0)' (-1|0,1/2,0)' (mz|0,0,0)' (mx|0,1/2,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (-x,-y+1/2,z;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y+1/2,-z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y,z;mx,my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,y,-z;mx,my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 16q (x,0,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (x,0,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,0,-z;mx,0,mz) (x,1/2,-z;-mx,0,mz) (-x,0,z;mx,0,-mz) (x,1/2,z;-mx,0,-mz) 16p (x,3/4,z;0,my,0) (-x,3/4,z;0,-my,0) (x,1/4,-z;0,-my,0) (-x,1/4,-z;0,my,0) (x,1/4,z;0,-my,0) (-x,1/4,z;0,my,0) (x,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) 16o (0,y,z;mx,0,0) (0,-y+1/2,z;-mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,y+1/2,z;-mx,0,0) (0,-y,z;mx,0,0) (0,-y+1/2,-z;-mx,0,0) (0,y,-z;mx,0,0) 16n (x,y,0;mx,my,0) (-x,-y+1/2,0;-mx,-my,0) (x,-y,0;mx,-my,0) (-x,y+1/2,0;-mx,my,0) (-x,-y,0;mx,my,0) (x,y+1/2,0;-mx,-my,0) (-x,y,0;mx,-my,0) (x,-y+1/2,0;-mx,my,0) 16m (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 8l (1/2,y,0;mx,0,0) (1/2,-y+1/2,0;-mx,0,0) (1/2,-y,0;mx,0,0) (1/2,y+1/2,0;-mx,0,0) 8k (0,y,0;mx,0,0) (0,-y+1/2,0;-mx,0,0) (0,-y,0;mx,0,0) (0,y+1/2,0;-mx,0,0) 8j (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) 8i (x,3/4,0;0,my,0) (-x,3/4,0;0,-my,0) (x,1/4,0;0,-my,0) (-x,1/4,0;0,my,0) 8h (0,0,z;mx,0,0) (0,1/2,z;-mx,0,0) (0,0,-z;mx,0,0) (0,1/2,-z;-mx,0,0) 8g (0,3/4,z;0,0,0) (0,1/4,-z;0,0,0) (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 8f (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8e (1/4,3/4,1/4;0,my,0) (1/4,1/4,3/4;0,-my,0) (1/4,1/4,1/4;0,-my,0) (1/4,3/4,3/4;0,my,0) 4d (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) 4c (0,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 4b (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 4a (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) ---------- OG: 65.19.563 C_Im'm'm UNI: 72.546 Ibam.1'_c[Cmmm] BNS: 72.546 I_cbam OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) 16q (x,y,1/2;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (0,y,-z+1;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (0,-y,z+1;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1;mx,-my,0) (-1/4,1/4,-z+1;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z+1;mx,-my,0) (1/4,-1/4,z+1;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 8j (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (0,-y,-1/2;0,my,0) (0,y,3/2;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1;0,0,-mz) (0,y,1;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x,0,3/2;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/2;mx,my,0) (1/4,-1/4,1/2;mx,-my,0) (-1/4,1/4,1/2;-mx,my,0) (-1/4,-1/4,1/2;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) (-1/4,1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,0,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32r (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16q (x,y,1/4;mx,my,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) 16p (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) 16o (x,0,z;mx,0,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16n (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16m (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8l (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8i (0,y,0;0,0,mz) (0,-y,1/2;0,0,-mz) (0,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8h (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8g (x,0,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;mx,my,0) (1/4,3/4,1/4;mx,-my,0) (3/4,1/4,1/4;-mx,my,0) (3/4,3/4,1/4;-mx,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 66.1.564 Cccm UNI: 66.491 Cccm.1 BNS: 66.491 Cccm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 4f (1/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 66.2.565 Cccm1' UNI: 66.492 Cccm.1' BNS: 66.492 Cccm1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16m (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 8l (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 8k (1/4,1/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 8j (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 8i (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8h (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 8g (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 66.3.566 Cc'cm UNI: 66.493 Cc'cm BNS: 66.493 Cc'cm Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) ---------- OG: 66.4.567 Cccm' UNI: 66.494 Cccm' BNS: 66.494 Cccm' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 8g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 4f (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 66.5.568 Cc'c'm UNI: 66.495 Cc'c'm BNS: 66.495 Cc'c'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (0,1,1)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 4f (1/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 66.6.569 Ccc'm' UNI: 66.496 Ccc'm' BNS: 66.496 Ccc'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) 8j (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;mx,-my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;mx,0,-mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;mx,my,0) (1/4,1/4,1/2;mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,3/4,1/2;mx,-my,0) 4d (0,1/2,0;mx,my,0) (0,1/2,1/2;mx,-my,0) 4c (0,0,0;mx,my,0) (0,0,1/2;mx,-my,0) 4b (0,1/2,1/4;mx,0,0) (0,1/2,3/4;mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;mx,0,0) ---------- OG: 66.7.570 Cc'c'm' UNI: 66.497 Cc'c'm' BNS: 66.497 Cc'c'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 66.8.571 C_Pccm UNI: 49.275 Pccm.1'_C[Cccm] BNS: 49.275 P_Cccm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (-1/4,1/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,-1/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,-3/4,1/2;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (0,-1/2,1/2;0,0,-mz) (1/2,1,0;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,1,1/4;0,0,0) (1/2,0,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (1/2,y+1/2,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) ---------- OG: 66.9.572 C_Pc'cm UNI: 53.333 Pmna.1'_A[Amaa] BNS: 53.333 P_Amna OG-BNS transformation: (1/4,1/4,0;c,a,b) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,1/2,1/2) (2z|1/2,1/2,0) (-1|1/2,1/2,0) (mx|1/2,1/2,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (1,0,0)+ (0,1,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8k (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,1/4,z+1/2;0,0,mz) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (1/2,1,-z+1/2;-mx,my,0) (1/2,0,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,1/2,z+1/2;mx,-my,0) (0,0,z+1/2;-mx,my,0) (0,0,-z;-mx,-my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8g (x,0,1/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,-1/4;mx,0,0) (x,0,-1/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x+1/2,1/2,-1/4;mx,0,0) 4f (1/4,3/4,0;0,0,mz) (1/4,-3/4,1/2;0,0,-mz) (3/4,5/4,0;0,0,-mz) (3/4,-1/4,1/2;0,0,mz) 4e (1/4,1/4,0;0,0,mz) (1/4,-1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,mz) 4d (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4b (0,1/2,1/4;mx,0,0) (1/2,0,1/4;-mx,0,0) (1/2,0,-1/4;mx,0,0) (0,1/2,-1/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,0,0) (1/2,1/2,-1/4;mx,0,0) (0,0,-1/4;-mx,0,0) Operators (BNS): (1|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (2x|0,0,0) (-1|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (mx|0,0,0) (1|0,1/2,1/2)' (2y|1/2,1/2,0)' (2z|1/2,1/2,0)' (2x|0,1/2,1/2)' (-1|0,1/2,1/2)' (my|1/2,1/2,0)' (mz|1/2,1/2,0)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) 8l (0,y,z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,z;mx,0,0) (0,-y+1/2,-z+1/2;-mx,0,0) 8k (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (-x,1/2,1/2;-mx,0,0) (x+1/2,1/2,0;mx,0,0) 8j (x,3/4,1/4;0,my,mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (x,1/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,my,-mz) (x+1/2,3/4,1/4;0,-my,mz) (-x,3/4,1/4;0,-my,-mz) 8i (x,3/4,3/4;0,my,mz) (-x+1/2,3/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (x,1/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,mz) (x+1/2,1/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) 8h (1/4,3/4,z;mx,my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (1/4,1/4,-z;mx,-my,0) (3/4,1/4,-z;mx,my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) (3/4,3/4,z;mx,-my,0) 8g (1/4,y,3/4;0,my,0) (1/4,-y,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y,3/4;0,-my,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,-y+1/2,3/4;0,my,0) (3/4,-y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,my,0) 4f (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;mx,0,0) 4e (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,1/2,0;mx,0,0) 4d (0,3/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) 4c (0,3/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) 4b (1/4,3/4,1/4;0,my,0) (1/4,1/4,3/4;0,-my,0) (3/4,1/4,3/4;0,my,0) (3/4,3/4,1/4;0,-my,0) 4a (1/4,3/4,3/4;0,my,0) (1/4,1/4,1/4;0,-my,0) (3/4,1/4,1/4;0,my,0) (3/4,3/4,3/4;0,-my,0) ---------- OG: 66.10.573 C_Pccm' UNI: 56.375 Pccn.1'_C[Cccm] BNS: 56.375 P_Cccn OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|1/2,1/2,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (-1/4,1/4,z+1/2;mx,-my,0) (1/4,-1/4,z+1/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,-1/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1/2,1/2,-1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,-1/4;0,-my,mz) 4f (1/4,3/4,0;mx,my,0) (3/4,-1/4,1/2;mx,-my,0) (1/4,5/4,1/2;-mx,my,0) (-1/4,-3/4,0;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (3/4,1/4,1/2;mx,-my,0) (1/4,3/4,1/2;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 4d (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,-1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (1/2,1/2,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (0,0,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8j (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8i (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8h (3/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y+1/2,1/4;-mx,0,-mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y+1/2,3/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 8g (x,3/4,1/4;0,my,mz) (x+1/2,1/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (-x+1/2,3/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) (x+1/2,1/4,3/4;0,-my,mz) 4f (0,1/2,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) 4e (0,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (1/2,1/2,0;-mx,-my,0) 4d (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) 4a (3/4,3/4,1/4;0,0,mz) (1/4,1/4,1/4;0,0,-mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) ---------- OG: 66.11.574 C_Pc'c'm UNI: 58.403 Pnnm.1'_C[Cccm] BNS: 58.403 P_Cnnm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x,0,-1/4;0,-my,mz) 4f (1/4,3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) (1/4,5/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,1,0;0,0,-mz) (0,-1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,-1/2,-1/4;0,0,mz) (1/2,1,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8l (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8k (1/4,1/4,z;mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (3/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;mx,0,mz) (1/2,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,1/2,3/4;0,my,-mz) (x,0,3/4;0,-my,mz) 4f (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4e (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) ---------- OG: 66.12.575 C_Pcc'm' UNI: 52.317 Pnna.1'_A[Amaa] BNS: 52.317 P_Anna OG-BNS transformation: (0,0,0;c,-b,a) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (-1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,-1/4,z+1/2;0,0,mz) 8j (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (1/2,1,-z+1/2;-mx,my,0) (1/2,0,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (1/2,1,-z;-mx,-my,0) 8i (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (1/2,1/2,z;-mx,-my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (1/2,1/2,-z;-mx,-my,0) 8h (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y+1/2,-1/4;-mx,0,mz) 8g (x,0,1/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x+1/2,1/2,-1/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x+1/2,1/2,-1/4;-mx,0,0) (x,0,-1/4;mx,0,0) 4f (1/4,3/4,0;0,0,0) (1/4,5/4,1/2;0,0,0) (-1/4,-3/4,0;0,0,0) (3/4,-1/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4d (0,1/2,0;mx,my,0) (0,-1/2,1/2;mx,-my,0) (1/2,1,1/2;-mx,my,0) (1/2,0,0;-mx,-my,0) 4c (0,0,0;mx,my,0) (0,0,1/2;mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (1/2,1/2,0;-mx,-my,0) 4b (0,1/2,1/4;mx,0,0) (1/2,0,1/4;-mx,0,0) (0,-1/2,-1/4;mx,0,0) (1/2,1,-1/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,0,0) (0,0,-1/4;mx,0,0) (1/2,1/2,-1/4;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,0) (2y|1/2,1/2,1/2) (2x|0,1/2,1/2) (-1|0,0,0) (mz|1/2,0,0) (my|1/2,1/2,1/2) (mx|0,1/2,1/2) (1|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (2y|1/2,0,0)' (2x|0,0,0)' (-1|0,1/2,1/2)' (mz|1/2,1/2,1/2)' (my|1/2,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 8l (0,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y+1/2,-z+1/2;0,-my,-mz) (0,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y+1/2,z+1/2;0,-my,-mz) 8k (x,3/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 8j (x,1/2,0;0,my,mz) (-x+1/2,1/2,0;0,-my,mz) (-x+1/2,0,1/2;0,my,-mz) (x,0,1/2;0,-my,-mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,0;0,-my,mz) (x+1/2,0,1/2;0,my,-mz) (-x,0,1/2;0,-my,-mz) 8i (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x+1/2,1/2,1/2;0,my,-mz) (x,1/2,1/2;0,-my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,0;0,-my,mz) (x+1/2,1/2,1/2;0,my,-mz) (-x,1/2,1/2;0,-my,-mz) 8h (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y+1/2,1/2;mx,0,-mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;-mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (3/4,y+1/2,1/2;mx,0,-mz) 8g (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (3/4,0,z;0,0,mz) 4f (0,1/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) 4e (0,3/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4d (0,1/2,0;0,my,mz) (1/2,1/2,0;0,-my,mz) (1/2,0,1/2;0,my,-mz) (0,0,1/2;0,-my,-mz) 4c (0,0,0;0,my,mz) (1/2,0,0;0,-my,mz) (1/2,1/2,1/2;0,my,-mz) (0,1/2,1/2;0,-my,-mz) 4b (1/4,1/2,0;0,0,mz) (1/4,0,1/2;0,0,-mz) (3/4,1/2,0;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (1/4,1/2,1/2;0,0,-mz) (3/4,0,0;0,0,mz) (3/4,1/2,1/2;0,0,-mz) ---------- OG: 66.13.576 C_Pc'c'm' UNI: 48.263 Pnnn.1'_C[Cccm] BNS: 48.263 P_Cnnn OG-BNS transformation: (-1/4,-1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|1/2,1/2,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16m (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,0;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z+1/2;mx,-my,0) (-1/4,1/4,-z+1/2;-mx,my,0) (-1/4,-1/4,z;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) 8j (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,1,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8h (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,-y+1/2,-1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,-1/4;mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,3/4;mx,0,0) 4f (1/4,3/4,0;mx,my,0) (1/4,-3/4,1/2;mx,-my,0) (-1/4,3/4,1/2;-mx,my,0) (-1/4,-3/4,0;-mx,-my,0) 4e (1/4,1/4,0;mx,my,0) (1/4,-1/4,1/2;mx,-my,0) (-1/4,1/4,1/2;-mx,my,0) (-1/4,-1/4,0;-mx,-my,0) 4d (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (1/2,1,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16m (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8l (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y+1/2,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y+1/2,0;-mx,-my,0) 8k (1/2,1/2,z;mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,z+1/2;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (0,0,-z;-mx,-my,0) 8j (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8i (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8h (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,y+1/2,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (1/4,y,3/4;0,my,0) 8g (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 4f (1/2,0,0;mx,my,0) (1/2,1/2,1/2;mx,-my,0) (0,0,1/2;-mx,my,0) (0,1/2,0;-mx,-my,0) 4e (1/2,1/2,0;mx,my,0) (1/2,0,1/2;mx,-my,0) (0,1/2,1/2;-mx,my,0) (0,0,0;-mx,-my,0) 4d (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4b (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) ---------- OG: 67.1.577 Cmma UNI: 67.501 Cmma.1 BNS: 67.501 Cmma Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) 8m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (3/4,y,1/2;0,-my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,my,0) (1/4,3/4,1/2;0,-my,0) 4e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;-mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- OG: 67.2.578 Cmma1' UNI: 67.502 Cmma.1' BNS: 67.502 Cmma1' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16o (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y,-z;0,0,0) 8n (x,1/4,z;0,0,0) (x,3/4,-z;0,0,0) (-x+1/2,1/4,-z;0,0,0) (-x+1/2,3/4,z;0,0,0) 8m (0,y,z;0,0,0) (0,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) 8l (1/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (3/4,0,-z;0,0,0) (3/4,0,z;0,0,0) 8k (1/4,y,1/2;0,0,0) (1/4,-y,1/2;0,0,0) (3/4,-y,1/2;0,0,0) (3/4,y,1/2;0,0,0) 8j (1/4,y,0;0,0,0) (1/4,-y,0;0,0,0) (3/4,-y,0;0,0,0) (3/4,y,0;0,0,0) 8i (x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) 8h (x,0,0;0,0,0) (-x+1/2,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,0;0,0,0) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- OG: 67.3.579 Cm'ma UNI: 67.503 Cm'ma BNS: 67.503 Cm'ma Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 8m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,my,-mz) 8l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,0,z;-mx,my,0) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;-mx,0,0) 4g (0,1/4,z;0,my,0) (0,3/4,-z;0,-my,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) ---------- OG: 67.4.580 Cmma' UNI: 67.504 Cmma' BNS: 67.504 Cmma' Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0) (-1|0,0,0)' (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;0,my,0) (x,3/4,-z;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,-my,0) 8m (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,mz) (3/4,0,-z;0,0,-mz) (3/4,0,z;0,0,-mz) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;mx,0,-mz) 8i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) 8h (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,0;0,my,-mz) 4g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (3/4,0,0;0,0,-mz) ---------- OG: 67.5.581 Cm'm'a UNI: 67.505 Cm'm'a BNS: 67.505 Cm'm'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,2)+ (2,0,0)+ (1/2,1/2,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 8n (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x+1/2,3/4,z;-mx,0,mz) 8m (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,mz) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;-mx,0,mz) (3/4,-y,1/2;mx,0,mz) (3/4,y,1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;-mx,0,mz) 8i (x,0,1/2;0,my,mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,1/2;0,my,mz) (x+1/2,0,1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (x+1/2,0,0;0,-my,mz) 4g (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,mz) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,3/4,1/2;-mx,0,mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,3/4,0;-mx,0,mz) 4d (0,0,1/2;0,my,mz) (1/2,0,1/2;0,-my,mz) 4c (0,0,0;0,my,mz) (1/2,0,0;0,-my,mz) 4b (1/4,0,1/2;0,0,mz) (3/4,0,1/2;0,0,mz) 4a (1/4,0,0;0,0,mz) (3/4,0,0;0,0,mz) ---------- OG: 67.6.582 Cmm'a' UNI: 67.506 Cmm'a' BNS: 67.506 Cmm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) 8m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,1/2;mx,0,mz) (3/4,y,1/2;mx,0,-mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;mx,0,0) 4g (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,3/4,1/2;mx,0,-mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,3/4,0;mx,0,-mz) 4d (0,0,1/2;mx,0,0) (1/2,0,1/2;mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;mx,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,0,1/2;mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,0,0;mx,0,0) ---------- OG: 67.7.583 Cm'm'a' UNI: 67.507 Cm'm'a' BNS: 67.507 Cm'm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,3/4,z;-mx,0,mz) 8m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,-mz) (3/4,0,z;0,0,mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y,0;0,my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,0;mx,0,0) 4g (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,-mz) 4f (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) 4a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) ---------- OG: 67.8.584 C_2cmma UNI: 67.508 Cmma.1'_c[Cmma] BNS: 67.508 C_cmma OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|1/2,0,1)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|1/2,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,-1/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,-1/4,z;0,-my,0) (x,1/4,z+1;0,-my,0) (x,-1/4,-z+1;0,my,0) (-x+1/2,1/4,-z+1;0,-my,0) (-x+1/2,-1/4,z+1;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z+1;mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (-1/4,0,z;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z+1;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (-1/4,0,z+1;0,0,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,1;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y,1;0,my,0) 16i (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,1;mx,0,0) (-x,0,1;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;0,0,0) (0,-1/4,-z;0,0,0) (0,1/4,z+1;0,0,0) (0,-1/4,-z+1;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,-1/4,0;0,-my,0) (1/4,1/4,1;0,-my,0) (1/4,-1/4,1;0,my,0) 8d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1;-mx,0,0) (1/2,0,1;mx,0,0) 8b (1/4,0,1/2;0,0,mz) (1/4,0,-1/2;0,0,-mz) (-1/4,0,-1/2;0,0,mz) (-1/4,0,1/2;0,0,-mz) 8a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (1/4,0,1;0,0,0) (-1/4,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,3/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (1/4,0,-z+1/2;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,z+1/2;0,0,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (1/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (3/4,y,3/4;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 16i (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x+1/2,0,3/4;0,my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x,0,1/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x+1/2,0,3/4;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 8g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) (0,3/4,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) (1/4,1/4,1/2;0,-my,0) (1/4,3/4,1/2;0,my,0) 8d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,1/2;mx,0,0) 8b (1/4,0,1/4;0,0,mz) (1/4,0,3/4;0,0,-mz) (3/4,0,3/4;0,0,mz) (3/4,0,1/4;0,0,-mz) 8a (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) ---------- OG: 67.9.585 C_Pmma UNI: 49.274 Pccm.1'_B[Bmcm] BNS: 49.274 P_Bccm OG-BNS transformation: (0,0,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1,1/2,0)' (2z|1,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1,1/2,0)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) (1,y+1/2,-z;mx,0,0) (1,-y+1/2,z;mx,0,0) 8l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,1/2,-z;0,0,mz) (1/4,1/2,-z;0,0,-mz) (5/4,1/2,z;0,0,mz) 8k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (3/4,y,-1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y+1/2,1/2;0,my,0) (1/4,-y+1/2,-1/2;0,-my,0) (5/4,y+1/2,-1/2;0,my,0) 8j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (3/4,y+1/2,0;0,-my,0) (3/4,-y+1/2,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (5/4,y+1/2,0;0,my,0) 8i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1,1/2,-1/2;mx,0,0) (-x+1/2,1/2,-1/2;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1,1/2,0;mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (x+1,1/2,0;mx,0,0) 4g (0,1/4,z;mx,0,0) (0,-1/4,-z;mx,0,0) (1/2,1/4,-z;-mx,0,0) (1/2,-1/4,z;-mx,0,0) 4f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (3/4,1/4,-1/2;0,0,0) 4e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 4d (0,0,1/2;mx,0,0) (1/2,0,-1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1,1/2,-1/2;mx,0,0) 4c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (1/2,1/2,0;-mx,0,0) (1,1/2,0;mx,0,0) 4b (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (3/4,1/2,1/2;0,0,0) (1/4,1/2,-1/2;0,0,0) 4a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (mz|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,0,1/2)' (2z|1/2,0,1/2)' (2x|1/2,0,0)' (2y|1/2,0,0)' (-1|1/2,0,1/2)' (mz|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8n (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,-z;0,my,mz) (1/4,y,-z;0,-my,mz) (3/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 8m (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (x+1/2,y,1/2;0,0,-mz) (-x+1/2,-y,1/2;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) 8l (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 8k (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (x,1/2,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,1/4;mx,0,0) 8j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,0,3/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x+1/2,0,1/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4g (1/4,y,0;0,0,mz) (3/4,-y,0;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) 4f (1/4,1/2,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 4e (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) ---------- OG: 67.10.586 C_Imma UNI: 72.547 Ibam.1'_b[Bmcm] BNS: 72.547 I_bbam OG-BNS transformation: (0,0,0;b,2c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|1/2,0,1)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|0,0,1)' (my|1/2,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,2)+ (1,0,0)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z+1;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z+1;mx,0,0) 16l (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z+1;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (3/4,0,z+1;0,0,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (-1/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,1;0,my,0) (-1/4,-y,1;0,-my,0) (3/4,y,1;0,my,0) 16i (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,1;mx,0,0) (-x,0,1;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;mx,0,0) (0,-1/4,-z;mx,0,0) (1/2,1/4,-z;-mx,0,0) (1/2,-1/4,z;-mx,0,0) 8f (1/4,1/4,1/2;mx,0,mz) (1/4,-1/4,-1/2;mx,0,-mz) (1/4,1/4,-1/2;-mx,0,-mz) (1/4,-1/4,1/2;-mx,0,mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) 8d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,0,1;-mx,0,0) (1/2,0,1;mx,0,0) 8b (1/4,0,1/2;0,0,mz) (1/4,0,-1/2;0,0,-mz) (-1/4,0,-1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 8a (1/4,0,0;0,0,0) (-1/4,0,0;0,0,0) (1/4,0,1;0,0,0) (-1/4,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (mz|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,1/2,0)' (2z|0,1/2,0)' (2x|1/2,0,0)' (2y|1/2,0,0)' (-1|0,1/2,0)' (mz|0,1/2,0)' (mx|1/2,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y+1/2,z;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,-z;-mx,-my,-mz) (x,y+1/2,-z;mx,my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 16n (1/4,y,z;0,my,mz) (3/4,-y,z;0,-my,mz) (1/4,-y,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y,-z;0,my,mz) (1/4,y,-z;0,-my,mz) (3/4,y,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) 16m (x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (x,y+1/2,0;0,0,-mz) (-x,-y+1/2,0;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) 16l (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (0,y+1/2,1/4;0,-my,0) (1/2,-y,3/4;0,my,0) (0,-y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,my,0) 16k (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) (x,3/4,1/4;0,-my,-mz) (-x,1/4,1/4;0,my,-mz) (-x,3/4,3/4;0,my,mz) (x,1/4,3/4;0,-my,mz) (-x,1/4,3/4;0,-my,-mz) (x,3/4,3/4;0,my,-mz) 16j (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x,1/2,1/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x,1/2,3/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 16i (0,1/4,z;mx,my,0) (0,3/4,z;-mx,-my,0) (0,3/4,-z+1/2;mx,-my,0) (0,1/4,-z+1/2;-mx,my,0) (0,3/4,-z;mx,my,0) (0,1/4,-z;-mx,-my,0) (0,1/4,z+1/2;mx,-my,0) (0,3/4,z+1/2;-mx,my,0) 16h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,mz) 8g (1/4,y,0;0,0,mz) (3/4,-y,0;0,0,mz) (1/4,-y,1/2;0,0,-mz) (3/4,y,1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,my,mz) (3/4,3/4,1/4;0,-my,mz) (1/4,3/4,1/4;0,-my,-mz) (3/4,1/4,1/4;0,my,-mz) 8e (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) 8d (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 8c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,1/2,0;0,0,-mz) (1/2,0,0;0,0,mz) 8b (0,1/4,1/4;0,my,0) (0,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (0,1/4,3/4;0,-my,0) 8a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) ---------- OG: 67.11.587 C_2cm'ma UNI: 64.478 Cmca.1'_c[Cmmb] BNS: 64.478 C_cmca OG-BNS transformation: (1/4,1/4,1/2;b,-a,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1) (2z|1/2,0,1) (-1|0,0,1) (mx|0,0,1) (my|1/2,0,0) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,0,1)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,-1/4,-z;0,-my,0) (-x+1/2,1/4,-z+1;0,my,0) (-x+1/2,-1/4,z+1;0,-my,0) (x,1/4,z+1;0,-my,0) (x,-1/4,-z+1;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,-1/4,z;0,my,0) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y,-z+1;0,my,-mz) (1/2,-y,z+1;0,-my,mz) (0,-y,-z+1;0,my,mz) (0,y,z+1;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (1/4,0,-z+1;-mx,my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z+1;mx,my,0) (-1/4,0,z+1;mx,-my,0) (3/4,0,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) 16k (1/4,y,1/2;0,my,0) (1/4,-y,-1/2;0,-my,0) (-1/4,-y,1/2;0,my,0) (-1/4,y,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y,1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 16j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (1/4,y,1;-mx,0,-mz) (1/4,-y,1;-mx,0,mz) (-1/4,-y,1;mx,0,mz) (-1/4,y,1;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 16i (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x+1/2,0,1/2;0,my,-mz) (-x+1/2,0,3/2;0,-my,mz) (-x,0,1/2;0,my,mz) (-x,0,3/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 16h (x,0,0;mx,0,0) (-x+1/2,0,1;-mx,0,0) (-x,0,1;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,0,1;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1/2,0,1;mx,0,0) 8g (0,1/4,z;0,my,0) (0,-1/4,-z;0,-my,0) (1/2,1/4,-z+1;0,my,0) (1/2,-1/4,z+1;0,-my,0) 8f (1/4,1/4,1/2;0,my,0) (1/4,-1/4,-1/2;0,-my,0) (1/4,1/4,3/2;0,-my,0) (1/4,-1/4,1/2;0,my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (1/4,-1/4,1;0,0,0) 8d (0,0,1/2;0,my,mz) (0,0,-1/2;0,-my,-mz) (1/2,0,1/2;0,my,-mz) (1/2,0,3/2;0,-my,mz) 8c (0,0,0;0,0,0) (1/2,0,1;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) 8b (1/4,0,1/2;0,my,0) (1/4,0,-1/2;0,-my,0) (-1/4,0,1/2;0,my,0) (-1/4,0,3/2;0,-my,0) 8a (1/4,0,0;mx,0,0) (1/4,0,1;-mx,0,0) (-1/4,0,1;mx,0,0) (3/4,0,0;-mx,0,0) Operators (BNS): (1|0,0,0) (2y|1/2,0,1/2) (2x|0,0,0) (2z|1/2,0,1/2) (-1|0,0,0) (my|1/2,0,1/2) (mx|0,0,0) (mz|1/2,0,1/2) (1|0,0,1/2)' (2y|1/2,0,0)' (2x|0,0,1/2)' (2z|1/2,0,0)' (-1|0,0,1/2)' (my|1/2,0,0)' (mx|0,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (0,y,z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y,z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 16m (x,1/4,z;mx,0,mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (-x,1/4,z;mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) 16l (3/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (3/4,0,-z;mx,-my,0) (3/4,0,z+1/2;-mx,-my,0) (1/4,0,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) (1/4,0,z;mx,-my,0) (1/4,0,-z+1/2;-mx,-my,0) 16k (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16j (x,0,3/4;0,my,mz) (-x+1/2,0,3/4;0,my,-mz) (x,0,1/4;0,-my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,0,1/4;0,my,mz) (x+1/2,0,1/4;0,my,-mz) (-x,0,3/4;0,-my,-mz) (x+1/2,0,3/4;0,-my,mz) 16i (3/4,y,0;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (3/4,-y,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) (1/4,y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 16h (3/4,y,3/4;0,my,0) (3/4,-y,1/4;0,-my,0) (1/4,-y,1/4;0,my,0) (1/4,y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (1/4,-y,3/4;0,-my,0) (1/4,y,1/4;0,my,0) 8g (0,1/4,z;mx,0,0) (1/2,1/4,-z+1/2;-mx,0,0) (0,3/4,-z;mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 8f (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8e (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) 8d (3/4,1/4,0;mx,0,mz) (3/4,1/4,1/2;-mx,0,-mz) (3/4,3/4,0;mx,0,-mz) (3/4,3/4,1/2;-mx,0,mz) 8c (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8b (3/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) (1/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) 8a (3/4,0,3/4;0,my,0) (3/4,0,1/4;0,-my,0) (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) ---------- OG: 67.12.588 C_2cm'm'a UNI: 68.518 Ccca.1'_c[Cmmb] BNS: 68.518 C_ccca OG-BNS transformation: (1/2,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|1/2,0,1) (2z|1/2,0,0) (-1|0,0,0) (mx|0,0,1) (my|1/2,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|1/2,0,1)' (-1|0,0,1)' (mx|0,0,0)' (my|1/2,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ (-1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,-1/4,-z+1;mx,0,-mz) (-x+1/2,1/4,-z+1;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z+1;mx,0,-mz) (x+1/2,-1/4,z+1;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (1/2,y,-z+1;0,my,-mz) (1/2,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (1/2,-y,z+1;0,my,-mz) (1/2,y,-z;0,-my,mz) 16l (1/4,0,z;0,0,mz) (1/4,0,-z+1;0,0,-mz) (-1/4,0,-z;0,0,mz) (3/4,0,z+1;0,0,-mz) (1/4,0,z+1;0,0,-mz) (1/4,0,-z;0,0,mz) (-1/4,0,-z+1;0,0,-mz) (3/4,0,z;0,0,mz) 16k (1/4,y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (-1/4,-y,-1/2;0,my,0) (-1/4,y,3/2;0,-my,0) (1/4,y,3/2;0,-my,0) (1/4,-y,-1/2;0,my,0) (-1/4,-y,1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 16j (1/4,y,0;mx,0,mz) (1/4,-y,1;mx,0,-mz) (1/4,y,1;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) (-1/4,-y,0;mx,0,mz) (-1/4,y,1;mx,0,-mz) (3/4,-y,1;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,3/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,-1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x+1/2,0,1;0,my,-mz) (-x+1/2,0,0;0,-my,mz) (-x,0,0;0,my,mz) (-x,0,1;0,-my,-mz) (x+1/2,0,1;0,my,-mz) (x+1/2,0,0;0,-my,mz) 8g (0,1/4,z;0,0,mz) (1/2,1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,-1/4,z+1;0,0,-mz) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,1/4,3/2;0,0,0) 8e (1/4,1/4,0;mx,0,mz) (1/4,-1/4,1;mx,0,-mz) (1/4,1/4,1;-mx,0,-mz) (1/4,-1/4,0;-mx,0,mz) 8d (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) 8c (0,0,0;0,my,mz) (0,0,1;0,-my,-mz) (1/2,0,1;0,my,-mz) (1/2,0,0;0,-my,mz) 8b (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (1/4,0,3/2;0,0,0) (-1/4,0,1/2;0,0,0) 8a (1/4,0,0;0,0,mz) (1/4,0,1;0,0,-mz) (-1/4,0,0;0,0,mz) (3/4,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2x|0,1/2,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (my|1/2,1/2,1/2) (mx|1/2,0,1/2) (mz|1/2,0,0) (1|0,0,1/2)' (2y|0,0,0)' (2x|0,1/2,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (my|1/2,1/2,0)' (mx|1/2,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32o (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16n (1/4,y,z;0,my,mz) (3/4,y,-z+1/2;0,my,-mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,-y+1/2,z;0,-my,mz) (1/4,-y+1/2,-z;0,my,mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,y,-z;0,-my,mz) 16m (x,1/2,z;mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,-z;mx,0,mz) (x+1/2,0,z+1/2;-mx,0,-mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,-z;-mx,0,mz) 16l (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (0,1/4,-z;0,0,mz) (1/2,1/4,-z+1/2;0,0,-mz) (1/2,1/4,z;0,0,mz) 16k (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (x+1/2,1/4,1/4;mx,0,0) 16j (x,1/4,0;0,my,mz) (-x,1/4,1/2;0,my,-mz) (x,1/4,1/2;0,-my,-mz) (-x,1/4,0;0,-my,mz) (-x+1/2,1/4,0;0,my,mz) (x+1/2,1/4,1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,-mz) (x+1/2,1/4,0;0,-my,mz) 16i (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (0,y,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 16h (0,y,0;mx,0,mz) (0,y,1/2;-mx,0,-mz) (0,-y+1/2,1/2;mx,0,-mz) (0,-y+1/2,0;-mx,0,mz) (1/2,-y+1/2,0;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (1/2,y,1/2;mx,0,-mz) (1/2,y,0;-mx,0,mz) 8g (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 8e (1/4,1/4,0;0,my,mz) (3/4,1/4,1/2;0,my,-mz) (1/4,1/4,1/2;0,-my,-mz) (3/4,1/4,0;0,-my,mz) 8d (0,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8c (0,1/2,0;mx,0,mz) (0,1/2,1/2;-mx,0,-mz) (0,0,1/2;mx,0,-mz) (0,0,0;-mx,0,mz) 8b (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 8a (0,1/4,0;0,0,mz) (0,1/4,1/2;0,0,-mz) (1/2,1/4,0;0,0,mz) (1/2,1/4,1/2;0,0,-mz) ---------- OG: 67.13.589 C_Pm'ma UNI: 54.350 Pcca.1'_B[Bmcm] BNS: 54.350 P_Bcca OG-BNS transformation: (1/4,1/4,0;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1,1/2,0) (2z|1,1/2,0) (-1|1/2,1/2,0) (mx|1/2,1/2,0) (my|1/2,0,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1,1/2,0)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1,y+1/2,-z;-mx,my,-mz) (-x+1,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1,-y+1/2,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1,3/4,-z;-mx,0,-mz) (-x+1,1/4,z;-mx,0,mz) (-x+1/2,1/4,-z;mx,0,mz) (-x+1/2,3/4,z;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 8m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1,y+1/2,-z;0,my,-mz) (1,-y+1/2,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y+1/2,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) 8l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (1/4,1/2,-z;mx,my,0) (1/4,1/2,z;mx,-my,0) (3/4,0,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) 8k (1/4,y,1/2;mx,0,mz) (1/4,-y,-1/2;mx,0,-mz) (3/4,y+1/2,-1/2;-mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y+1/2,-1/2;mx,0,mz) (1/4,y+1/2,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y+1/2,0;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (1/4,-y+1/2,0;mx,0,mz) (1/4,y+1/2,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (3/4,y,0;-mx,0,mz) 8i (x,0,1/2;mx,0,0) (-x+1,1/2,-1/2;-mx,0,0) (-x+1/2,1/2,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,0,-1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1,1/2,1/2;mx,0,0) 8h (x,0,0;mx,0,0) (-x+1,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,0;-mx,0,0) (x+1,1/2,0;mx,0,0) 4g (0,1/4,z;0,0,mz) (1,3/4,-z;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,-1/4,z;0,0,-mz) 4f (1/4,1/4,1/2;mx,0,mz) (1/4,-1/4,-1/2;mx,0,-mz) (3/4,3/4,-1/2;-mx,0,-mz) (3/4,1/4,1/2;-mx,0,mz) 4e (1/4,1/4,0;mx,0,mz) (1/4,-1/4,0;mx,0,-mz) (3/4,3/4,0;-mx,0,-mz) (3/4,1/4,0;-mx,0,mz) 4d (0,0,1/2;0,0,0) (1,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;mx,0,0) (3/4,1/2,-1/2;-mx,0,0) (1/4,1/2,-1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 4a (1/4,0,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (1/4,1/2,0;mx,0,0) (3/4,0,0;-mx,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,0,0) (2x|1/2,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (mz|1/2,0,0) (mx|1/2,0,1/2) (my|0,0,1/2) (1|1/2,0,1/2)' (2z|0,0,1/2)' (2x|0,0,0)' (2y|1/2,0,0)' (-1|1/2,0,1/2)' (mz|0,0,1/2)' (mx|0,0,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (-x+1/2,-y,z;-mx,-my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y,-z;-mx,-my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8n (0,y,z;0,my,mz) (1/2,-y,z;0,-my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,y,z+1/2;0,-my,-mz) (0,-y,z+1/2;0,my,-mz) 8m (x,y,3/4;mx,my,0) (-x+1/2,-y,3/4;-mx,-my,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;mx,my,0) (x+1/2,y,1/4;-mx,-my,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) 8l (3/4,y,0;mx,0,mz) (3/4,-y,0;-mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,0;mx,0,mz) (1/4,y,0;-mx,0,mz) (3/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) 8k (x,1/2,0;0,my,mz) (-x+1/2,1/2,0;0,-my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,1/2,0;0,my,mz) (x+1/2,1/2,0;0,-my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,1/2;0,my,-mz) 8j (x,0,0;0,my,mz) (-x+1/2,0,0;0,-my,mz) (x+1/2,0,1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,my,mz) (x+1/2,0,0;0,-my,mz) (-x+1/2,0,1/2;0,-my,-mz) (x,0,1/2;0,my,-mz) 8i (3/4,1/2,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,z;0,0,mz) 8h (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (1/4,0,z;0,0,mz) 4g (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) 4f (0,1/2,0;0,my,mz) (1/2,1/2,0;0,-my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,1/2;0,my,-mz) 4e (0,0,0;0,my,mz) (1/2,0,0;0,-my,mz) (1/2,0,1/2;0,-my,-mz) (0,0,1/2;0,my,-mz) 4d (3/4,1/2,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) 4c (3/4,0,3/4;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) 4b (3/4,1/2,0;0,0,mz) (1/4,1/2,1/2;0,0,-mz) (1/4,1/2,0;0,0,mz) (3/4,1/2,1/2;0,0,-mz) 4a (3/4,0,0;0,0,mz) (1/4,0,1/2;0,0,-mz) (1/4,0,0;0,0,mz) (3/4,0,1/2;0,0,-mz) ---------- OG: 67.14.590 C_Pmm'a UNI: 51.303 Pmma.1'_C[Cmma] BNS: 51.303 P_Cmma OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|1,1/2,0) (-1|1/2,1/2,0) (mx|0,0,0) (my|1,1/2,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1,1/2,0)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,0,0)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8n (x,1/4,z;0,my,0) (x+1/2,1/4,-z;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1,1/4,z;0,-my,0) (x+1/2,3/4,z;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1,3/4,-z;0,-my,0) (-x+1/2,-1/4,z;0,my,0) 8m (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1,-y+1/2,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1,y+1/2,-z;mx,0,0) (1/2,-y,z;mx,0,0) 8l (1/4,0,z;mx,my,0) (3/4,1/2,-z;mx,-my,0) (1/4,0,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (1/4,1/2,-z;mx,my,0) (-1/4,0,z;mx,-my,0) (5/4,1/2,z;-mx,my,0) (3/4,0,-z;-mx,-my,0) 8k (1/4,y,1/2;0,my,0) (3/4,-y+1/2,-1/2;0,-my,0) (1/4,-y+1/2,-1/2;0,my,0) (-1/4,y,1/2;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (1/4,-y,-1/2;0,my,0) (-1/4,-y,-1/2;0,-my,0) (1/4,y+1/2,1/2;0,my,0) 8j (1/4,y,0;0,my,0) (3/4,-y+1/2,0;0,-my,0) (1/4,-y+1/2,0;0,my,0) (-1/4,y,0;0,-my,0) (3/4,y+1/2,0;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,0;0,-my,0) (1/4,y+1/2,0;0,my,0) 8i (x,0,1/2;0,my,mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1/2,0,-1/2;0,my,-mz) (-x+1,1/2,1/2;0,-my,mz) (-x+1/2,1/2,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1,1/2,1/2;0,my,-mz) (x+1/2,0,-1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1,1/2,0;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1,1/2,0;0,my,-mz) (x+1/2,0,0;0,-my,mz) 4g (0,1/4,z;0,0,0) (1/2,1/4,-z;0,0,0) (1/2,3/4,z;0,0,0) (0,-1/4,-z;0,0,0) 4f (1/4,1/4,1/2;0,my,0) (3/4,1/4,-1/2;0,-my,0) (3/4,3/4,1/2;0,-my,0) (1/4,-1/4,-1/2;0,my,0) 4e (1/4,1/4,0;0,my,0) (3/4,1/4,0;0,-my,0) (3/4,3/4,0;0,-my,0) (1/4,-1/4,0;0,my,0) 4d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1,1/2,0;0,0,0) 4b (1/4,0,1/2;0,my,0) (3/4,1/2,-1/2;0,-my,0) (1/4,1/2,-1/2;0,my,0) (-1/4,0,1/2;0,-my,0) 4a (1/4,0,0;0,my,0) (3/4,1/2,0;0,-my,0) (1/4,1/2,0;0,my,0) (-1/4,0,0;0,-my,0) Operators (BNS): (1|0,0,0) (2x|1/2,0,0) (2y|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (mx|1/2,0,0) (my|0,0,0) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,1/2,0)' (2y|1/2,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|0,1/2,0)' (my|1/2,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8n (x,0,z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,1/2,z;0,-my,0) (x,1/2,-z;0,my,0) (-x+1/2,1/2,-z;0,-my,0) (-x,1/2,z;0,my,0) 8m (3/4,y,z;mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y,-z;-mx,0,0) (3/4,-y,z;-mx,0,0) (1/4,y+1/2,z;-mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;mx,0,0) 8l (0,3/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (0,3/4,-z;-mx,my,0) (1/2,1/4,z;-mx,-my,0) (0,1/4,-z;mx,my,0) (1/2,3/4,z;mx,-my,0) (0,1/4,z;-mx,my,0) (1/2,3/4,-z;-mx,-my,0) 8k (0,y,1/2;0,my,0) (1/2,-y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) (1/2,-y+1/2,1/2;0,-my,0) (0,y+1/2,1/2;0,my,0) 8j (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (0,-y+1/2,0;0,my,0) (1/2,-y+1/2,0;0,-my,0) (0,y+1/2,0;0,my,0) 8i (x,3/4,1/2;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,1/4,1/2;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8h (x,3/4,0;0,my,mz) (x+1/2,1/4,0;0,-my,-mz) (-x,3/4,0;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,0;0,-my,-mz) (x,1/4,0;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) 4g (3/4,0,z;0,0,0) (1/4,0,-z;0,0,0) (1/4,1/2,z;0,0,0) (3/4,1/2,-z;0,0,0) 4f (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) 4e (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,1/2,0;0,-my,0) (0,1/2,0;0,my,0) 4d (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) 4b (0,3/4,1/2;0,my,0) (1/2,1/4,1/2;0,-my,0) (0,1/4,1/2;0,my,0) (1/2,3/4,1/2;0,-my,0) 4a (0,3/4,0;0,my,0) (1/2,1/4,0;0,-my,0) (0,1/4,0;0,my,0) (1/2,3/4,0;0,-my,0) ---------- OG: 67.15.591 C_Pmma' UNI: 57.389 Pbcm.1'_A[Acmm] BNS: 57.389 P_Abcm OG-BNS transformation: (1/4,1/4,0;c,-b,a) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1,1/2,0) (2z|1/2,0,0) (-1|1/2,1/2,0) (mx|0,0,0) (my|1/2,0,0) (mz|1,1/2,0) (1|1/2,1/2,0)' (2x|0,0,0)' (2y|1/2,0,0)' (2z|1,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|1,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8n (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z;mx,0,-mz) (-x+1,3/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z;-mx,0,mz) (-x+1/2,1/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1,3/4,-z;-mx,0,mz) 8m (0,y,z;mx,0,0) (1/2,-y+1/2,-z;mx,0,0) (1,y+1/2,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1,-y+1/2,z;mx,0,0) 8l (1/4,0,z;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,-z;0,0,mz) (3/4,0,z;0,0,-mz) (3/4,1/2,z;0,0,-mz) (1/4,0,-z;0,0,mz) (-1/4,0,-z;0,0,-mz) (5/4,1/2,z;0,0,mz) 8k (1/4,y,1/2;mx,0,mz) (3/4,-y+1/2,-1/2;mx,0,-mz) (3/4,y+1/2,-1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,-y+1/2,-1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (5/4,y+1/2,-1/2;-mx,0,mz) 8j (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;mx,0,-mz) (3/4,y+1/2,0;-mx,0,-mz) (1/4,-y,0;-mx,0,mz) (1/4,-y+1/2,0;mx,0,mz) (-1/4,y,0;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (5/4,y+1/2,0;-mx,0,mz) 8i (x,0,1/2;0,my,mz) (x+1/2,1/2,-1/2;0,-my,-mz) (-x+1,1/2,-1/2;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x+1/2,1/2,-1/2;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,1/2;0,my,-mz) (x+1,1/2,-1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1,1/2,0;0,my,-mz) (-x+1/2,0,0;0,-my,mz) (-x+1/2,1/2,0;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x+1,1/2,0;0,-my,mz) 4g (0,1/4,z;mx,0,0) (1/2,1/4,-z;mx,0,0) (1,3/4,-z;-mx,0,0) (1/2,-1/4,z;-mx,0,0) 4f (1/4,1/4,1/2;mx,0,mz) (3/4,1/4,-1/2;mx,0,-mz) (3/4,3/4,-1/2;-mx,0,-mz) (1/4,-1/4,1/2;-mx,0,mz) 4e (1/4,1/4,0;mx,0,mz) (3/4,1/4,0;mx,0,-mz) (3/4,3/4,0;-mx,0,-mz) (1/4,-1/4,0;-mx,0,mz) 4d (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1,1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (1,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (1/4,0,1/2;0,0,mz) (3/4,1/2,-1/2;0,0,-mz) (1/4,1/2,-1/2;0,0,mz) (3/4,0,1/2;0,0,-mz) 4a (1/4,0,0;0,0,mz) (3/4,1/2,0;0,0,-mz) (1/4,1/2,0;0,0,mz) (3/4,0,0;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,1/2) (2y|0,1/2,1/2) (2x|0,1/2,0) (-1|0,0,0) (mz|0,0,1/2) (my|0,1/2,1/2) (mx|0,1/2,0) (1|0,1/2,1/2)' (2z|0,1/2,0)' (2y|0,0,0)' (2x|0,0,1/2)' (-1|0,1/2,1/2)' (mz|0,1/2,0)' (my|0,0,0)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x,y,-z+1/2;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x,y+1/2,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8n (x,0,z;mx,0,mz) (-x,0,z+1/2;-mx,0,mz) (-x,1/2,-z+1/2;-mx,0,-mz) (x,1/2,-z;mx,0,-mz) (-x,0,-z;mx,0,mz) (x,0,-z+1/2;-mx,0,mz) (x,1/2,z+1/2;-mx,0,-mz) (-x,1/2,z;mx,0,-mz) 8m (x,y,3/4;0,0,mz) (-x,-y,1/4;0,0,mz) (-x,y+1/2,3/4;0,0,-mz) (x,-y+1/2,1/4;0,0,-mz) (x,y+1/2,1/4;0,0,-mz) (-x,-y+1/2,3/4;0,0,-mz) (-x,y,1/4;0,0,mz) (x,-y,3/4;0,0,mz) 8l (x,1/4,0;mx,0,0) (-x,3/4,1/2;-mx,0,0) (-x,3/4,0;mx,0,0) (x,1/4,1/2;-mx,0,0) (x,3/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (x,3/4,0;mx,0,0) 8k (1/2,y,0;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,0;mx,0,-mz) (1/2,-y,0;mx,0,mz) (1/2,y,1/2;-mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (1/2,y+1/2,0;mx,0,-mz) 8j (0,y,0;mx,0,mz) (0,-y,1/2;-mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y+1/2,0;mx,0,-mz) (0,-y,0;mx,0,mz) (0,y,1/2;-mx,0,mz) (0,-y+1/2,1/2;-mx,0,-mz) (0,y+1/2,0;mx,0,-mz) 8i (1/2,1/4,z;mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (1/2,3/4,-z+1/2;-mx,my,0) (1/2,1/4,-z;mx,-my,0) (1/2,3/4,-z;mx,my,0) (1/2,1/4,-z+1/2;-mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) (1/2,3/4,z;mx,-my,0) 8h (0,1/4,z;mx,my,0) (0,3/4,z+1/2;-mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (0,1/4,-z;mx,-my,0) (0,3/4,-z;mx,my,0) (0,1/4,-z+1/2;-mx,-my,0) (0,1/4,z+1/2;-mx,my,0) (0,3/4,z;mx,-my,0) 4g (x,0,3/4;0,0,mz) (-x,0,1/4;0,0,mz) (-x,1/2,3/4;0,0,-mz) (x,1/2,1/4;0,0,-mz) 4f (1/2,0,0;mx,0,mz) (1/2,0,1/2;-mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) (1/2,1/2,0;mx,0,-mz) 4e (0,0,0;mx,0,mz) (0,0,1/2;-mx,0,mz) (0,1/2,1/2;-mx,0,-mz) (0,1/2,0;mx,0,-mz) 4d (1/2,1/4,3/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4c (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (0,1/4,1/4;0,0,0) 4b (1/2,1/4,0;mx,0,0) (1/2,3/4,1/2;-mx,0,0) (1/2,3/4,0;mx,0,0) (1/2,1/4,1/2;-mx,0,0) 4a (0,1/4,0;mx,0,0) (0,3/4,1/2;-mx,0,0) (0,3/4,0;mx,0,0) (0,1/4,1/2;-mx,0,0) ---------- OG: 67.16.592 C_Imm'a UNI: 74.561 Imma.1'_c[Cmma] BNS: 74.561 I_cmma OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|1/2,0,0) (2z|1/2,0,1) (-1|0,0,1) (mx|0,0,0) (my|1/2,0,1) (mz|1/2,0,0) (1|0,0,1)' (2x|0,0,0)' (2y|1/2,0,1)' (2z|1/2,0,0)' (-1|0,0,0)' (mx|0,0,1)' (my|1/2,0,0)' (mz|1/2,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z+1;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,-1/4,-z+1;0,-my,0) (-x+1/2,1/4,-z;0,my,0) (-x+1/2,-1/4,z+1;0,-my,0) (x,1/4,z+1;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1/2,1/4,-z+1;0,-my,0) (-x+1/2,-1/4,z;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z+1;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z+1;-mx,0,0) (0,y,z+1;-mx,0,0) (0,-y,-z;-mx,0,0) (1/2,y,-z+1;mx,0,0) (1/2,-y,z;mx,0,0) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1;mx,-my,0) (1/4,0,-z;-mx,my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z+1;mx,my,0) (-1/4,0,z;mx,-my,0) (3/4,0,z+1;-mx,my,0) (3/4,0,-z;-mx,-my,0) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,3/2;-mx,0,mz) (-1/4,-y,1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,3/2;-mx,0,-mz) (3/4,y,-1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1;0,-my,0) (-1/4,-y,1;0,my,0) (-1/4,y,0;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,0;0,-my,0) (-1/4,y,1;0,my,0) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (x+1/2,0,3/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (x+1/2,0,1/2;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1/2,0,1;0,-my,mz) (-x,0,1;0,my,mz) (-x,0,0;0,-my,-mz) (x+1/2,0,1;0,my,-mz) (x+1/2,0,0;0,-my,mz) 8g (0,1/4,z;0,0,0) (0,-1/4,-z+1;0,0,0) (0,1/4,z+1;0,0,0) (0,-1/4,-z;0,0,0) 8f (1/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (1/4,-1/4,3/2;0,0,0) 8e (1/4,1/4,0;0,my,0) (1/4,-1/4,1;0,-my,0) (1/4,1/4,1;0,-my,0) (1/4,-1/4,0;0,my,0) 8d (0,0,1/2;mx,0,0) (1/2,0,-1/2;-mx,0,0) (0,0,3/2;-mx,0,0) (1/2,0,1/2;mx,0,0) 8c (0,0,0;0,0,0) (0,0,1;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1;0,0,0) 8b (1/4,0,1/2;mx,0,0) (1/4,0,-1/2;-mx,0,0) (-1/4,0,1/2;mx,0,0) (3/4,0,3/2;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1;0,-my,0) (-1/4,0,1;0,my,0) (-1/4,0,0;0,-my,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x,1/4,z;0,-my,0) (x,1/4,z+1/2;0,-my,0) (x,3/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z;0,-my,0) (-x+1/2,3/4,z;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (0,-y,-z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) 16l (1/4,0,z;mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,1/2,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z;mx,-my,0) (1/4,1/2,z;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 16k (1/4,y,0;mx,0,mz) (1/4,-y,0;mx,0,-mz) (3/4,y+1/2,0;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (3/4,y,0;mx,0,-mz) (1/4,-y+1/2,0;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 16j (1/4,y,3/4;0,my,0) (1/4,-y,1/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y,3/4;0,-my,0) (1/4,y,1/4;0,-my,0) (1/4,-y,3/4;0,my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 16i (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) (x,0,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16h (x,0,3/4;0,my,mz) (x,0,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,1/2,3/4;0,-my,mz) (-x,0,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,1/2,3/4;0,my,-mz) (x,1/2,1/4;0,-my,mz) 8g (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) (0,3/4,-z+1/2;0,0,0) 8f (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) 8e (1/4,1/4,3/4;0,my,0) (1/4,3/4,1/4;0,-my,0) (1/4,1/4,1/4;0,-my,0) (1/4,3/4,3/4;0,my,0) 8d (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) (0,0,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8c (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 8b (1/4,0,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (3/4,0,0;mx,0,0) (1/4,1/2,0;-mx,0,0) 8a (1/4,0,3/4;0,my,0) (1/4,0,1/4;0,-my,0) (3/4,0,1/4;0,my,0) (3/4,0,3/4;0,-my,0) ---------- OG: 67.17.593 C_Im'ma' UNI: 73.553 Ibca.1'_c[Cmma] BNS: 73.553 I_cbca OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|1/2,0,0) (2z|1/2,0,1) (-1|0,0,0) (mx|0,0,1) (my|1/2,0,0) (mz|1/2,0,1) (1|0,0,1)' (2x|0,0,0)' (2y|1/2,0,1)' (2z|1/2,0,0)' (-1|0,0,1)' (mx|0,0,0)' (my|1/2,0,1)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ (1/2,1/2,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y,z+1;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y,-z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,-1/4,-z+1;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x+1/2,-1/4,z+1;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z+1;mx,0,-mz) (x+1/2,-1/4,z;-mx,0,-mz) (x+1/2,1/4,-z+1;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z+1;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z+1;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z+1;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1;mx,-my,0) (1/4,0,-z;-mx,my,0) (1/4,0,z+1;-mx,-my,0) (-1/4,0,-z;mx,my,0) (-1/4,0,z+1;mx,-my,0) (3/4,0,z;-mx,my,0) (3/4,0,-z+1;-mx,-my,0) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y,-1/2;-mx,0,-mz) (1/4,-y,3/2;-mx,0,mz) (-1/4,-y,-1/2;mx,0,mz) (-1/4,y,3/2;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1;0,-my,0) (-1/4,-y,0;0,my,0) (-1/4,y,1;0,-my,0) (1/4,y,1;0,-my,0) (1/4,-y,0;0,my,0) (-1/4,-y,1;0,-my,0) (-1/4,y,0;0,my,0) 16i (x,0,1/2;mx,0,0) (-x+1/2,0,-1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x,0,3/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (x+1/2,0,3/2;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x+1/2,0,1;0,-my,mz) (-x,0,0;0,my,mz) (-x,0,1;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x+1/2,0,1;0,-my,mz) 8g (0,1/4,z;0,0,mz) (0,-1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (0,1/4,z+1;0,0,-mz) 8f (1/4,1/4,1/2;mx,0,mz) (1/4,-1/4,1/2;mx,0,-mz) (1/4,1/4,-1/2;-mx,0,-mz) (1/4,-1/4,3/2;-mx,0,mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,1/4,1;0,0,0) 8d (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8c (0,0,0;0,my,mz) (0,0,1;0,-my,-mz) (1/2,0,0;0,my,-mz) (1/2,0,1;0,-my,mz) 8b (1/4,0,1/2;mx,0,0) (1/4,0,-1/2;-mx,0,0) (-1/4,0,-1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1;0,-my,0) (-1/4,0,0;0,my,0) (-1/4,0,1;0,-my,0) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|1/2,0,0)' (-1|0,0,1/2)' (mx|0,0,0)' (my|0,1/2,0)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 16n (x,1/4,z;mx,0,mz) (x,3/4,-z+1/2;mx,0,-mz) (-x+1/2,1/4,-z;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z;-mx,0,-mz) (x,3/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z+1/2;0,-my,-mz) (1/2,y,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (0,-y,-z;0,my,mz) (0,y,z+1/2;0,-my,-mz) (1/2,-y,z;0,my,-mz) (0,y+1/2,-z;0,-my,mz) 16l (1/4,0,z;mx,my,0) (1/4,0,-z+1/2;mx,-my,0) (1/4,0,-z;-mx,my,0) (3/4,1/2,z;-mx,-my,0) (3/4,0,-z;mx,my,0) (3/4,0,z+1/2;mx,-my,0) (3/4,0,z;-mx,my,0) (1/4,1/2,-z;-mx,-my,0) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,1/4;mx,0,-mz) (1/4,y,3/4;-mx,0,-mz) (3/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,3/4;mx,0,-mz) (3/4,-y,1/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 16j (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,1/2;0,-my,0) (1/4,y,1/2;0,-my,0) (1/4,-y,0;0,my,0) (3/4,-y,1/2;0,-my,0) (3/4,y,0;0,my,0) 16i (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x+1/2,0,1/4;-mx,0,0) (x,0,3/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (-x,0,1/4;-mx,0,0) (x,1/2,1/4;mx,0,0) 16h (x,0,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x+1/2,0,0;0,my,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (-x,0,1/2;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x,1/2,0;0,-my,mz) 8g (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;mx,0,mz) (1/4,3/4,1/4;mx,0,-mz) (1/4,1/4,3/4;-mx,0,-mz) (3/4,1/4,1/4;-mx,0,mz) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 8d (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8c (0,0,0;0,my,mz) (0,0,1/2;0,-my,-mz) (1/2,0,0;0,my,-mz) (0,1/2,0;0,-my,mz) 8b (1/4,0,1/4;mx,0,0) (1/4,0,3/4;-mx,0,0) (3/4,0,3/4;mx,0,0) (3/4,0,1/4;-mx,0,0) 8a (1/4,0,0;0,my,0) (1/4,0,1/2;0,-my,0) (3/4,0,0;0,my,0) (3/4,0,1/2;0,-my,0) ---------- OG: 68.1.594 Ccca UNI: 68.511 Ccca.1 BNS: 68.511 Ccca Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;mx,-my,-mz) (3/4,3/4,1/2;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- OG: 68.2.595 Ccca1' UNI: 68.512 Ccca.1' BNS: 68.512 Ccca1' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16i (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y+1/2,z;0,0,0) (-x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z;0,0,0) 8h (1/4,0,z;0,0,0) (1/4,1/2,-z+1/2;0,0,0) (1/4,1/2,-z;0,0,0) (1/4,0,z+1/2;0,0,0) 8g (0,1/4,z;0,0,0) (0,1/4,-z+1/2;0,0,0) (1/2,1/4,-z;0,0,0) (1/2,1/4,z+1/2;0,0,0) 8f (0,y,1/4;0,0,0) (0,-y+1/2,1/4;0,0,0) (1/2,-y+1/2,3/4;0,0,0) (1/2,y,3/4;0,0,0) 8e (x,1/4,1/4;0,0,0) (-x,1/4,1/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- OG: 68.3.596 Cc'ca UNI: 68.513 Cc'ca BNS: 68.513 Cc'ca Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2) (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (0,-1/2,1/2)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (3/4,0,-z;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;-mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;mx,0,0) (1/2,1/4,1/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) ---------- OG: 68.4.597 Ccca' UNI: 68.514 Ccca' BNS: 68.514 Ccca' Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0) (-1|1/2,1/2,0)' (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,-mz) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,3/4;mx,0,-mz) 8e (x,1/4,1/4;0,my,mz) (-x,1/4,1/4;0,-my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) 8d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,mz) (1/2,1/4,1/4;0,0,-mz) 4a (0,1/4,1/4;0,0,mz) (1/2,1/4,3/4;0,0,-mz) ---------- OG: 68.5.598 Cc'c'a UNI: 68.515 Cc'c'a BNS: 68.515 Cc'c'a Operators: (1|0,0,0) (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,2)+ (0,-2,0)+ (1/2,1/2,1)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;-mx,-my,mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,3/4;mx,0,mz) (1/2,y,3/4;-mx,0,mz) 8e (x,1/4,1/4;0,my,mz) (-x,1/4,1/4;0,-my,mz) (-x+1/2,1/4,3/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,mz) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;-mx,-my,mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;-mx,my,mz) (3/4,3/4,1/2;mx,-my,mz) (3/4,3/4,0;-mx,-my,mz) 4b (0,1/4,3/4;0,0,mz) (1/2,1/4,1/4;0,0,mz) 4a (0,1/4,1/4;0,0,mz) (1/2,1/4,3/4;0,0,mz) ---------- OG: 68.6.599 Ccc'a' UNI: 68.516 Ccc'a' BNS: 68.516 Ccc'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (1/4,1/2,-z;mx,my,0) (1/4,0,z+1/2;mx,-my,0) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,1/4,-z;mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,3/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8c (1/4,3/4,0;mx,my,mz) (1/4,3/4,1/2;mx,-my,-mz) (3/4,3/4,1/2;mx,-my,mz) (3/4,3/4,0;mx,my,-mz) 4b (0,1/4,3/4;mx,0,0) (1/2,1/4,1/4;mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,1/4,3/4;mx,0,0) ---------- OG: 68.7.600 Cc'c'a' UNI: 68.517 Cc'c'a' BNS: 68.517 Cc'c'a' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,-my,0) (1/2,y,3/4;0,my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 8c (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- OG: 68.8.601 C_Pcca UNI: 50.286 Pban.1'_A[Acaa] BNS: 50.286 P_Aban OG-BNS transformation: (0,1/2,0;c,-b,a) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1,1,0) (mx|1,1/2,1/2) (my|1,1,1/2) (mz|1,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1,-y+1,-z;mx,my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;mx,my,0) (1/4,1/2,-z+1/2;mx,-my,0) (-1/4,0,-z+1/2;-mx,my,0) (-1/4,1/2,z;-mx,-my,0) (3/4,1,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) (5/4,1,z+1/2;-mx,my,0) (5/4,1/2,-z;-mx,-my,0) 8g (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1,3/4,-z;0,0,mz) (1,3/4,z+1/2;0,0,-mz) (1/2,3/4,z;0,0,-mz) (1/2,3/4,-z+1/2;0,0,mz) (1/2,1/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1,-y+1,-1/4;0,my,0) (1,y+1/2,-1/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1,1/4;0,my,0) (1/2,-y+1/2,-1/4;0,-my,0) (1/2,y,-1/4;0,my,0) 8e (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1,3/4,-1/4;mx,0,0) (x+1,3/4,-1/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (-x+1/2,1/4,-1/4;-mx,0,0) (x+1/2,1/4,-1/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (0,0,1/2;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1,1/2;-mx,my,mz) (1/2,1/2,1/2;mx,-my,mz) (1/2,1,0;mx,my,-mz) 8c (1/4,3/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,5/4,1/2;0,0,0) (5/4,1/4,1/2;0,0,0) (5/4,5/4,0;0,0,0) 4b (0,1/4,3/4;0,0,0) (1,3/4,-3/4;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/4,-3/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1,3/4,-1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,1/2,0) (2y|1/2,0,0) (2x|0,1/2,0) (-1|0,0,0) (mz|1/2,1/2,0) (my|1/2,0,0) (mx|0,1/2,0) (1|0,1/2,1/2)' (2z|1/2,0,1/2)' (2y|1/2,1/2,1/2)' (2x|0,0,1/2)' (-1|0,1/2,1/2)' (mz|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,y,-z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8h (x,1/2,1/4;0,my,mz) (-x+1/2,0,1/4;0,-my,mz) (-x+1/2,1/2,3/4;0,my,-mz) (x,0,3/4;0,-my,-mz) (-x,1/2,3/4;0,my,mz) (x+1/2,0,3/4;0,-my,mz) (x+1/2,1/2,1/4;0,my,-mz) (-x,0,1/4;0,-my,-mz) 8g (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x,3/4,1/2;-mx,0,0) (-x+1/2,3/4,1/2;mx,0,0) (-x,1/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;mx,0,0) 8f (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (1/4,y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (3/4,-y+1/2,1/2;0,-my,0) (3/4,y,1/2;0,my,0) 8e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8d (0,1/2,0;mx,my,mz) (1/2,0,0;-mx,-my,mz) (1/2,1/2,0;-mx,my,-mz) (0,0,0;mx,-my,-mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/2,1/2;mx,my,-mz) (1/2,0,1/2;mx,-my,mz) (0,1/2,1/2;-mx,my,mz) 8c (0,3/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 68.9.602 C_Pc'ca UNI: 54.351 Pcca.1'_C[Cccb] BNS: 54.351 P_Ccca OG-BNS transformation: (1/4,1/4,1/2;b,-a,c) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,1,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1,1,1/2) (mz|1,1/2,0) (1|1/2,1/2,0)' (2x|1/2,1,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1,1,0)' (mx|1,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (x+1,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1,-y+1,-z;-mx,-my,-mz) (-x+1,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (5/4,1,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (-1/4,0,-z+1/2;0,0,mz) (3/4,1,-z;0,0,-mz) (3/4,1/2,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z;-mx,-my,0) (1/2,1/4,-z;mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) (1,3/4,z+1/2;-mx,my,0) (1,3/4,-z;-mx,-my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (1/2,y,3/4;mx,0,-mz) (1,-y+1,3/4;-mx,0,-mz) (1,y+1/2,-1/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,-1/4;mx,0,0) (x+1,3/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1,3/4,-1/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) 8d (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1,1,1/2;0,0,0) (1,1/2,0;0,0,0) 8c (1/4,3/4,0;mx,my,mz) (1/4,-1/4,1/2;mx,-my,-mz) (1/4,5/4,1/2;-mx,my,-mz) (1/4,1/4,0;-mx,-my,mz) (3/4,5/4,0;-mx,-my,-mz) (3/4,1/4,1/2;-mx,my,mz) (-1/4,3/4,1/2;mx,-my,mz) (-1/4,-1/4,0;mx,my,-mz) 4b (0,1/4,3/4;mx,0,0) (1/2,3/4,-1/4;-mx,0,0) (1/2,1/4,-3/4;mx,0,0) (1,3/4,5/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) (1/2,1/4,-1/4;mx,0,0) (1,3/4,3/4;-mx,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2x|1/2,0,1/2) (2z|1/2,0,0) (-1|0,0,0) (my|0,0,1/2) (mx|1/2,0,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2x|0,1/2,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,y+1/2,-z;mx,my,-mz) 8h (3/4,0,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (1/4,1/2,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (3/4,1/2,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;-mx,my,0) (1/2,3/4,-z+1/2;mx,-my,0) (1/2,3/4,z;-mx,-my,0) (0,3/4,-z;mx,my,0) (0,3/4,z+1/2;-mx,my,0) (1/2,1/4,z+1/2;mx,-my,0) (1/2,1/4,-z;-mx,-my,0) 8f (x,1/4,3/4;0,my,mz) (-x,1/4,3/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,-mz) (-x+1/2,3/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (x,3/4,1/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 8e (0,y,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y,1/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (3/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 8c (1/2,0,1/2;mx,my,mz) (1/2,0,0;-mx,my,-mz) (0,0,0;mx,-my,-mz) (0,0,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,-my,-mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;-mx,my,mz) (1/2,1/2,1/2;mx,my,-mz) 4b (0,1/4,1/4;0,my,0) (1/2,3/4,1/4;0,-my,0) (0,3/4,3/4;0,my,0) (1/2,1/4,3/4;0,-my,0) 4a (0,1/4,3/4;0,my,0) (1/2,3/4,3/4;0,-my,0) (0,3/4,1/4;0,my,0) (1/2,1/4,1/4;0,-my,0) ---------- OG: 68.10.603 C_Pcca' UNI: 60.430 Pbcn.1'_B[Bbcb] BNS: 60.430 P_Bbcn OG-BNS transformation: (1/4,1/4,1/2;b,c,a) Operators (OG): (1|0,0,0) (2x|1/2,1,1/2) (2y|1/2,1/2,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1,1/2,1/2) (my|1,1,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|0,1/2,1/2)' (2y|0,0,1/2)' (2z|1/2,1,0)' (-1|1,1,0)' (mx|1/2,0,1/2)' (my|1/2,1/2,1/2)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16i (x,y,z;mx,my,mz) (x+1/2,-y+1,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1,-y+1,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z;mx,my,-mz) (-x+1,-y+1,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8h (1/4,0,z;mx,my,0) (3/4,1,-z+1/2;mx,-my,0) (1/4,1/2,-z+1/2;-mx,my,0) (-1/4,1/2,z;-mx,-my,0) (1/4,1/2,-z;mx,my,0) (3/4,1/2,z+1/2;mx,-my,0) (5/4,1,z+1/2;-mx,my,0) (3/4,0,-z;-mx,-my,0) 8g (0,1/4,z;0,0,mz) (1/2,3/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1,3/4,z+1/2;0,0,-mz) (1/2,3/4,z;0,0,-mz) (0,1/4,-z+1/2;0,0,mz) (1,3/4,-z;0,0,-mz) (1/2,1/4,z+1/2;0,0,mz) 8f (0,y,1/4;mx,0,mz) (1/2,-y+1,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (0,-y+1/2,1/4;-mx,0,mz) (1/2,-y+1/2,-1/4;mx,0,mz) (1,y+1/2,3/4;mx,0,-mz) (1,-y+1,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8e (x,1/4,1/4;0,my,mz) (x+1/2,3/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x,1/4,1/4;0,-my,mz) (-x+1/2,1/4,-1/4;0,my,mz) (-x+1,3/4,3/4;0,-my,-mz) (x+1,3/4,3/4;0,my,-mz) (x+1/2,1/4,-1/4;0,-my,mz) 8d (0,0,0;0,0,0) (1/2,1,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (1,1,1/2;0,0,0) (1/2,0,0;0,0,0) 8c (1/4,3/4,0;mx,my,mz) (3/4,1/4,1/2;mx,-my,-mz) (1/4,5/4,1/2;-mx,my,-mz) (-1/4,-1/4,0;-mx,-my,mz) (3/4,5/4,0;-mx,-my,-mz) (1/4,-1/4,1/2;-mx,my,mz) (-1/4,3/4,1/2;mx,-my,mz) (1/4,1/4,0;mx,my,-mz) 4b (0,1/4,3/4;0,0,mz) (1/2,3/4,-1/4;0,0,-mz) (1/2,1/4,-3/4;0,0,mz) (1,3/4,5/4;0,0,-mz) 4a (0,1/4,1/4;0,0,mz) (1/2,3/4,1/4;0,0,-mz) (1/2,1/4,-1/4;0,0,mz) (1,3/4,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|1/2,1/2,1/2) (2x|1/2,1/2,0) (2y|0,0,1/2) (-1|0,0,0) (mz|1/2,1/2,1/2) (mx|1/2,1/2,0) (my|0,0,1/2) (1|1/2,0,1/2)' (2z|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,0)' (-1|1/2,0,1/2)' (mz|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (-x,-y+1/2,z;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,y+1/2,-z;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) 8h (3/4,y,0;mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (1/4,y,1/2;-mx,0,-mz) (1/4,-y,0;mx,0,mz) (1/4,y+1/2,1/2;-mx,0,mz) (3/4,y+1/2,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,-mz) 8g (0,y,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,y,1/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y,3/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8f (x,3/4,3/4;0,my,mz) (-x+1/2,3/4,1/4;0,-my,mz) (x+1/2,3/4,1/4;0,-my,-mz) (-x,3/4,3/4;0,my,-mz) (-x,1/4,1/4;0,my,mz) (x+1/2,1/4,3/4;0,-my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x,1/4,1/4;0,my,-mz) 8e (0,3/4,z;mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (1/2,3/4,-z;mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (0,1/4,-z;mx,my,0) (1/2,1/4,-z+1/2;-mx,-my,0) (1/2,1/4,z;mx,-my,0) (0,1/4,z+1/2;-mx,my,0) 8d (3/4,1/2,3/4;0,0,0) (3/4,0,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,1/2,1/4;0,0,0) 8c (1/2,1/2,0;mx,my,mz) (0,0,1/2;-mx,-my,mz) (0,0,0;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (0,1/2,1/2;-mx,-my,-mz) (1/2,0,0;mx,my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,0;mx,-my,mz) 4b (0,1/4,3/4;0,my,0) (1/2,1/4,1/4;0,-my,0) (0,3/4,1/4;0,my,0) (1/2,3/4,3/4;0,-my,0) 4a (0,3/4,3/4;0,my,0) (1/2,3/4,1/4;0,-my,0) (0,1/4,1/4;0,my,0) (1/2,1/4,3/4;0,-my,0) ---------- OG: 68.11.604 C_Pcc'a' UNI: 52.319 Pnna.1'_C[Ccca] BNS: 52.319 P_Cnna OG-BNS transformation: (0,1/2,1/2;a,b,c) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,1,0) (-1|1,1,0) (mx|1,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,1,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|1,1,1/2)' (mz|1,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z;-mx,-my,mz) (-x+1,-y+1,-z;mx,my,mz) (-x+1,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y+1,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1,-y+1,z+1/2;mx,-my,mz) (x+1,y+1/2,-z;mx,my,-mz) 8h (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,1,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) (3/4,1/2,z;0,0,-mz) (3/4,1,-z+1/2;0,0,mz) (1/4,1/2,-z;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8g (0,1/4,z;mx,my,0) (0,1/4,-z+1/2;mx,-my,0) (1/2,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z;-mx,-my,0) (1,3/4,-z;mx,my,0) (1,3/4,z+1/2;mx,-my,0) (1/2,1/4,z+1/2;-mx,my,0) (1/2,1/4,-z;-mx,-my,0) 8f (0,y,1/4;mx,0,mz) (0,-y+1/2,1/4;mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1,1/4;-mx,0,mz) (1,-y+1,-1/4;mx,0,mz) (1,y+1/2,3/4;mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y,-1/4;-mx,0,mz) 8e (x,1/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1,3/4,-1/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (-x+1/2,1/4,-1/4;-mx,0,0) (x+1,3/4,3/4;mx,0,0) 8d (0,0,0;mx,my,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,1/2,1/2;-mx,my,-mz) (1/2,1,0;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,1,1/2;-mx,my,mz) (0,0,1/2;mx,-my,mz) (0,1/2,0;mx,my,-mz) 8c (1/4,3/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,5/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,5/4,1/2;0,0,0) (3/4,-1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4b (0,1/4,3/4;mx,0,0) (1/2,3/4,-1/4;-mx,0,0) (1,3/4,-3/4;mx,0,0) (1/2,1/4,5/4;-mx,0,0) 4a (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) (1,3/4,-1/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,0)' (2x|1/2,0,1/2)' (2y|0,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,0)' (mx|1/2,0,1/2)' (my|0,0,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8h (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (3/4,1/2,-z;0,0,mz) (3/4,0,z+1/2;0,0,-mz) (3/4,0,z;0,0,-mz) (3/4,1/2,-z+1/2;0,0,mz) (1/4,0,-z;0,0,-mz) (1/4,1/2,z+1/2;0,0,mz) 8g (0,3/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (1/2,1/4,-z+1/2;-mx,my,0) (1/2,1/4,z;-mx,-my,0) (0,1/4,-z;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (1/2,3/4,z+1/2;-mx,my,0) (1/2,3/4,-z;-mx,-my,0) 8f (0,y,3/4;mx,0,mz) (0,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) (0,-y,1/4;mx,0,mz) (0,y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,-mz) (1/2,y,1/4;-mx,0,mz) 8e (x,3/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (x,1/4,1/4;mx,0,0) 8d (0,1/2,1/2;mx,my,mz) (0,0,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,mz) (1/2,0,1/2;-mx,-my,-mz) (1/2,1/2,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 8c (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (0,3/4,1/4;mx,0,0) (1/2,1/4,1/4;-mx,0,0) (0,1/4,3/4;mx,0,0) (1/2,3/4,3/4;-mx,0,0) 4a (0,3/4,3/4;mx,0,0) (1/2,1/4,3/4;-mx,0,0) (0,1/4,1/4;mx,0,0) (1/2,3/4,1/4;-mx,0,0) ---------- OG: 69.1.605 Fmmm UNI: 69.521 Fmmm.1 BNS: 69.521 Fmmm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 8d (1/4,0,1/4;0,my,0) (1/4,0,3/4;0,-my,0) 8c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 69.2.606 Fmmm1' UNI: 69.522 Fmmm.1' BNS: 69.522 Fmmm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 16o (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 16n (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 16m (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 16l (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (x,3/4,1/4;0,0,0) 16k (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 16j (1/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,1/4,z;0,0,0) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 69.3.607 Fm'mm UNI: 69.523 Fm'mm BNS: 69.523 Fm'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ (1/2,1/2,0)+ (0,1/2,1/2)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (x,3/4,1/4;-mx,0,0) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z;-mx,-my,0) (1/4,3/4,z;-mx,my,0) 8i (0,0,z;0,my,0) (0,0,-z;0,-my,0) 8h (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;mx,0,0) (1/4,3/4,1/4;-mx,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 69.4.608 Fm'm'm UNI: 69.524 Fm'm'm BNS: 69.524 Fm'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (1/2,1/2,1)+ (1/2,3/2,0)+ (0,1,1)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 16n (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (x,1/4,3/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 8h (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 8g (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 8d (1/4,0,1/4;mx,0,mz) (3/4,0,1/4;-mx,0,mz) 8c (0,1/4,1/4;0,my,mz) (0,3/4,1/4;0,-my,mz) 4b (0,0,1/2;0,0,mz) 4a (0,0,0;0,0,mz) ---------- OG: 69.5.609 Fm'm'm' UNI: 69.525 Fm'm'm' BNS: 69.525 Fm'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 16l (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (x,3/4,1/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 8h (0,y,0;0,my,0) (0,-y,0;0,-my,0) 8g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 69.6.610 F_Cmmm UNI: 65.490 Cmmm.1'_A[Fmmm] BNS: 65.490 C_Ammm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,0,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) (-x,-1/4,-1/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x,-1/4,1/4;0,my,-mz) (x,1/4,-1/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,-1/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) (-1/4,-1/4,-1/4;0,0,mz) (-1/4,1/4,1/4;0,0,-mz) 8e (1/4,1/4,0;0,0,mz) (1/4,-1/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) (3/4,-1/4,1/2;0,0,mz) 8d (1/4,0,1/4;0,0,0) (1/4,0,-1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (-1/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (0,1/4,-1/4;0,0,0) (0,-1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,0,1;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,1/2)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x+1/2,-y,1/2;0,0,mz) (-x+1/2,y,1/2;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x+1/2,0,-z+1/2;0,my,0) (-x+1/2,0,-z+1/2;0,-my,0) (-x+1/2,0,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,y,-z+1/2;mx,0,0) (1/2,-y,z+1/2;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x,1/4,3/4;0,my,-mz) (-x,3/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x,3/4,1/4;0,my,-mz) (x,1/4,3/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,y,3/4;-mx,0,-mz) (3/4,-y,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) (1/4,-y,1/4;-mx,0,-mz) (1/4,y,3/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8h (0,y,0;0,0,0) (0,-y,0;0,0,0) (0,y+1/2,1/2;0,0,0) (1/2,-y,1/2;0,0,0) 8g (x,0,0;0,0,0) (-x,0,0;0,0,0) (x,1/2,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) 8e (1/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) (3/4,3/4,1/2;0,0,mz) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 69.7.611 F_Cm'mm UNI: 63.468 Cmcm.1'_A[Fmmm] BNS: 63.468 C_Amcm OG-BNS transformation: (1/4,0,1/4;b,-a,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,1/2,1/2) (2z|0,1/2,1/2) (-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|0,0,0) (mz|0,0,0) (1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y+1/2,-z+1/2;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y+1/2,1/2;0,0,-mz) (-x,-y+1/2,1/2;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x,-y+1/2,1/2;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 16n (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,1/2,-z+1/2;0,my,0) (-x,1/2,z+1/2;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x,1/2,-z+1/2;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z+1/2;0,my,-mz) (0,-y+1/2,z+1/2;0,-my,mz) (0,-y+1/2,-z+1/2;0,my,mz) (0,y+1/2,z+1/2;0,-my,-mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,3/4,1/4;0,my,-mz) (-x,1/4,3/4;0,-my,mz) (-x,1/4,1/4;0,my,mz) (-x,3/4,3/4;0,-my,-mz) (x,-1/4,1/4;0,my,-mz) (x,1/4,-1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y+1/2,1/4;0,my,0) (-1/4,y+1/2,3/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (1/4,-y+1/2,1/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (-1/4,3/4,-z+1/2;-mx,my,0) (-1/4,1/4,z+1/2;-mx,-my,0) (-1/4,1/4,-z+1/2;mx,my,0) (-1/4,3/4,z+1/2;mx,-my,0) (1/4,-1/4,z;-mx,my,0) (1/4,1/4,-z;-mx,-my,0) 8i (0,0,z;0,my,0) (0,0,-z;0,-my,0) (0,1/2,-z+1/2;0,my,0) (0,1/2,z+1/2;0,-my,0) 8h (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) (0,y+1/2,1/2;0,0,-mz) (0,-y+1/2,1/2;0,0,mz) 8g (x,0,0;0,0,0) (-x,1/2,1/2;0,0,0) (x,1/2,1/2;0,0,0) (-x,0,0;0,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) (-1/4,1/4,1/4;0,my,0) (-1/4,3/4,3/4;0,-my,0) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,0,-1/4;0,-my,0) (1/4,1/2,3/4;0,-my,0) (1/4,1/2,1/4;0,my,0) 8c (0,1/4,1/4;0,my,mz) (0,-1/4,-1/4;0,-my,-mz) (0,3/4,1/4;0,my,-mz) (0,1/4,3/4;0,-my,mz) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,1/2) (2x|0,0,0) (2z|0,0,1/2) (-1|0,0,0) (my|0,0,1/2) (mx|0,0,0) (mz|0,0,1/2) (1|0,1/2,1/2)' (2y|1/2,0,0)' (2x|1/2,0,1/2)' (2z|1/2,0,0)' (-1|1/2,0,1/2)' (my|1/2,0,0)' (mx|1/2,0,1/2)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,y,-z;mx,my,-mz) 16o (x,y,3/4;0,0,mz) (-x,y,3/4;0,0,-mz) (x,-y,1/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x,y+1/2,1/4;0,0,-mz) (-x+1/2,y,1/4;0,0,mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,-y,3/4;0,0,-mz) 16n (0,y,z;mx,0,0) (0,y,-z+1/2;-mx,0,0) (0,-y,-z;mx,0,0) (0,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (1/2,-y,z;mx,0,0) 16m (x,1/4,z;mx,0,mz) (-x,1/4,-z+1/2;-mx,0,-mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) (-x,1/4,z;mx,0,-mz) (x,1/4,-z+1/2;-mx,0,mz) 16l (1/4,y,0;mx,0,mz) (3/4,y,1/2;-mx,0,-mz) (1/4,-y,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (3/4,-y,0;mx,0,mz) (1/4,-y,1/2;-mx,0,-mz) (3/4,y,0;mx,0,-mz) (1/4,y,1/2;-mx,0,mz) 16k (x,0,0;mx,0,0) (-x,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x,0,1/2;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x+1/2,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x+1/2,0,0;mx,0,0) 16j (1/4,0,z;mx,my,0) (3/4,0,-z+1/2;-mx,my,0) (1/4,0,-z;mx,-my,0) (3/4,0,z+1/2;-mx,-my,0) (3/4,0,-z;mx,my,0) (1/4,0,z+1/2;-mx,my,0) (3/4,0,z;mx,-my,0) (1/4,0,-z+1/2;-mx,-my,0) 8i (0,1/4,z;mx,0,0) (0,1/4,-z+1/2;-mx,0,0) (0,3/4,-z;mx,0,0) (0,3/4,z+1/2;-mx,0,0) 8h (x,1/4,3/4;0,0,mz) (-x,1/4,3/4;0,0,-mz) (x,3/4,1/4;0,0,-mz) (-x,3/4,1/4;0,0,mz) 8g (0,y,3/4;0,0,0) (0,-y,1/4;0,0,0) (0,y+1/2,1/4;0,0,0) (1/2,-y,3/4;0,0,0) 8f (1/4,0,0;mx,0,0) (3/4,0,1/2;-mx,0,0) (3/4,0,0;mx,0,0) (1/4,0,1/2;-mx,0,0) 8e (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) 8d (0,0,0;mx,0,0) (0,0,1/2;-mx,0,0) (0,1/2,1/2;-mx,0,0) (1/2,0,0;mx,0,0) 8c (1/4,1/4,0;mx,0,mz) (3/4,1/4,1/2;-mx,0,-mz) (1/4,3/4,0;mx,0,-mz) (3/4,3/4,1/2;-mx,0,mz) 4b (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) 4a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) ---------- OG: 69.8.612 F_Cmmm' UNI: 67.510 Cmma.1'_A[Fmmm] BNS: 67.510 C_Amma OG-BNS transformation: (1/4,0,1/4;b,-a,c) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,1/2,1/2) (2z|0,0,0) (-1|0,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,1/2,1/2) (1|0,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,1/2,1/2)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y+1/2,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x,-y+1/2,1/2;mx,my,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x,y+1/2,1/2;-mx,-my,0) 16n (x,0,z;0,my,0) (x,1/2,-z+1/2;0,-my,0) (-x,1/2,-z+1/2;0,my,0) (-x,0,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,1/2,z+1/2;0,my,0) 16m (0,y,z;mx,0,0) (0,-y+1/2,-z+1/2;mx,0,0) (0,y+1/2,-z+1/2;-mx,0,0) (0,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) 16l (x,1/4,1/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (x,-1/4,1/4;-mx,0,0) (x,3/4,3/4;-mx,0,0) (-x,1/4,-1/4;mx,0,0) (-x,-1/4,-1/4;-mx,0,0) (x,1/4,3/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (-1/4,-y+1/2,1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (-1/4,-y,-1/4;0,-my,0) (-1/4,y+1/2,3/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (-1/4,3/4,-z+1/2;0,0,-mz) (-1/4,1/4,-z+1/2;0,0,mz) (1/4,-1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (-1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8i (0,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) 8h (0,y,0;mx,0,0) (0,-y+1/2,1/2;mx,0,0) (0,y+1/2,1/2;-mx,0,0) (0,-y,0;-mx,0,0) 8g (x,0,0;0,my,0) (x,1/2,1/2;0,-my,0) (-x,1/2,1/2;0,my,0) (-x,0,0;0,-my,0) 8f (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) 8e (1/4,1/4,0;0,0,0) (-1/4,3/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (1/4,-1/4,0;0,0,0) 8d (1/4,0,1/4;0,my,0) (1/4,1/2,1/4;0,-my,0) (1/4,1/2,3/4;0,-my,0) (1/4,0,-1/4;0,my,0) 8c (0,1/4,1/4;mx,0,0) (0,3/4,1/4;-mx,0,0) (0,3/4,3/4;-mx,0,0) (0,1/4,-1/4;mx,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2y|1/2,0,0) (2x|0,0,0) (2z|1/2,0,0) (-1|0,0,0) (my|1/2,0,0) (mx|0,0,0) (mz|1/2,0,0) (1|0,1/2,1/2)' (2y|0,0,1/2)' (2x|1/2,0,1/2)' (2z|0,0,1/2)' (-1|1/2,0,1/2)' (my|0,0,1/2)' (mx|1/2,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,y,-z+1/2;mx,my,-mz) 16o (x,y,3/4;mx,my,0) (-x+1/2,y,1/4;-mx,my,0) (x,-y,1/4;mx,-my,0) (-x+1/2,-y,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (x+1/2,-y,3/4;-mx,my,0) (-x,y,3/4;mx,-my,0) (x+1/2,y,1/4;-mx,-my,0) 16n (0,y,z;mx,0,0) (1/2,y,-z;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (0,y,-z+1/2;mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,-y,z+1/2;mx,0,0) 16m (x,1/4,z;0,my,0) (-x+1/2,1/4,-z;0,my,0) (x,3/4,-z;0,-my,0) (-x+1/2,3/4,z;0,-my,0) (x,3/4,z+1/2;0,-my,0) (-x,1/4,-z+1/2;0,-my,0) (x+1/2,3/4,-z+1/2;0,my,0) (-x,3/4,z+1/2;0,my,0) 16l (1/4,y,0;0,my,0) (1/4,-y,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,0;0,-my,0) (1/4,y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (1/4,-y,1/2;0,-my,0) (1/4,y,1/2;0,my,0) 16k (x,0,0;mx,0,0) (-x+1/2,0,0;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (x,0,1/2;mx,0,0) 16j (1/4,0,z;0,0,mz) (1/4,0,-z;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,z;0,0,-mz) (1/4,1/2,z+1/2;0,0,-mz) (3/4,0,-z+1/2;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,mz) 8i (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (0,3/4,z+1/2;0,0,0) (1/2,3/4,-z+1/2;0,0,0) 8h (x,1/4,3/4;0,my,0) (-x+1/2,1/4,1/4;0,my,0) (x,3/4,1/4;0,-my,0) (-x+1/2,3/4,3/4;0,-my,0) 8g (0,y,3/4;mx,0,0) (1/2,y,1/4;-mx,0,0) (0,-y,1/4;mx,0,0) (1/2,-y,3/4;-mx,0,0) 8f (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (1/4,1/2,1/2;0,0,0) (1/4,0,1/2;0,0,0) 8e (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (3/4,0,3/4;0,0,0) 8d (0,0,0;mx,0,0) (1/2,0,0;-mx,0,0) (0,1/2,1/2;-mx,0,0) (0,0,1/2;mx,0,0) 8c (1/4,1/4,0;0,my,0) (1/4,3/4,0;0,-my,0) (1/4,3/4,1/2;0,-my,0) (3/4,3/4,1/2;0,my,0) 4b (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) 4a (0,1/4,3/4;0,0,0) (0,3/4,1/4;0,0,0) ---------- OG: 69.9.613 F_Cm'm'm UNI: 66.500 Cccm.1'_A[Fmmm] BNS: 66.500 C_Accm OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,0,1/2) (2y|1/2,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|1/2,0,1/2) (mz|0,0,0) (1|1/2,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x+1/2,-y,1/2;0,0,-mz) (-x+1/2,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,0,z;mx,0,mz) (x+1/2,0,-z+1/2;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (1/2,-y,-z+1/2;0,-my,-mz) (1/2,y,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 16l (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,-1/4,-1/4;mx,0,0) (x+1/2,-1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,-1/4;mx,0,0) (-x+1/2,-1/4,1/4;-mx,0,0) (x,-1/4,1/4;mx,0,0) 16k (1/4,y,1/4;0,my,0) (3/4,-y,1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (1/4,y,3/4;0,-my,0) (3/4,y,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 16j (1/4,1/4,z;0,0,mz) (3/4,-1/4,-z+1/2;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,-1/4,-z;0,0,mz) (1/4,-1/4,-z+1/2;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 8h (0,y,0;0,0,mz) (1/2,-y,1/2;0,0,-mz) (1/2,y,1/2;0,0,-mz) (0,-y,0;0,0,mz) 8g (x,0,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,-1/4,1/4;0,0,0) 8e (1/4,1/4,0;0,0,mz) (3/4,-1/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) (1/4,-1/4,0;0,0,mz) 8d (1/4,0,1/4;0,0,0) (3/4,0,1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (1/4,0,3/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (1/2,-1/4,3/4;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 4a (0,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|1/2,0,0)' (2z|1/2,0,1/2)' (-1|1/2,0,1/2)' (mx|1/2,0,0)' (my|1/2,0,0)' (mz|1/2,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) 16o (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x,y+1/2,1/2;0,0,-mz) (x+1/2,-y,0;0,0,mz) (-x+1/2,y,0;0,0,mz) (-x+1/2,-y,1/2;0,0,-mz) 16n (x,3/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x,3/4,-z+1/2;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,1/4,-z;mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x,1/4,z+1/2;-mx,0,-mz) (x,3/4,-z;-mx,0,mz) 16m (3/4,y,z;0,my,mz) (3/4,-y,-z+1/2;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y,z;0,-my,mz) (1/4,-y,-z;0,my,mz) (1/4,y,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y,-z;0,-my,mz) 16l (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x,1/2,3/4;-mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x+1/2,0,1/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 16k (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (0,y+1/2,3/4;0,-my,0) (1/2,-y,3/4;0,my,0) (1/2,-y,1/4;0,-my,0) (1/2,y,1/4;0,my,0) 16j (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8i (3/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8h (3/4,y,0;0,0,mz) (3/4,-y,1/2;0,0,-mz) (1/4,y,1/2;0,0,-mz) (1/4,-y,0;0,0,mz) 8g (x,3/4,0;0,0,mz) (x,1/4,1/2;0,0,-mz) (-x,3/4,1/2;0,0,-mz) (-x,1/4,0;0,0,mz) 8f (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 8e (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 8d (0,3/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (0,3/4,3/4;0,0,0) 8c (3/4,0,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) 4b (3/4,3/4,1/2;0,0,mz) (3/4,1/4,0;0,0,-mz) 4a (3/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) ---------- OG: 69.10.614 F_Cmm'm' UNI: 64.480 Cmca.1'_A[Fmmm] BNS: 64.480 C_Amca OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,-1/4,3/4;0,-my,mz) (-x,-1/4,-1/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x+1/2,-1/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (1/4,-1/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,-1/4,z+1/2;-mx,-my,0) (-1/4,-1/4,-z;mx,my,0) (-1/4,1/4,z;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z+1/2;-mx,0,0) (1/2,0,z+1/2;-mx,0,0) 8h (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,-1/4,-1/4;0,-my,0) (-1/4,-1/4,-1/4;0,my,0) (-1/4,1/4,1/4;0,-my,0) 8e (1/4,1/4,0;mx,my,0) (1/4,-1/4,0;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,-1/4,1/2;-mx,-my,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,-1/4;0,0,0) (-1/4,0,-1/4;0,0,0) (-1/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,-1/4,-1/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,-1/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (-x+1/2,-y,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x,y,0;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x+1/2,0,-z+1/2;-mx,0,-mz) (-x+1/2,0,z+1/2;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (0,y+1/2,z+1/2;-mx,0,0) (1/2,-y,-z+1/2;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;mx,0,0) 16l (x,1/4,1/4;0,my,mz) (x,3/4,3/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,3/4,3/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (-x,1/4,1/4;0,-my,-mz) (x+1/2,3/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (1/4,-y,1/4;0,-my,0) (1/4,y,3/4;0,my,0) 16j (1/4,1/4,z;mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;mx,my,0) (3/4,1/4,z;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8i (0,0,z;mx,0,0) (0,0,-z;mx,0,0) (1/2,0,-z+1/2;-mx,0,0) (1/2,0,z+1/2;-mx,0,0) 8h (0,y,0;mx,0,0) (0,-y,0;mx,0,0) (1/2,y,1/2;-mx,0,0) (1/2,-y,1/2;-mx,0,0) 8g (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,my,0) (1/4,3/4,3/4;0,-my,0) (3/4,3/4,3/4;0,my,0) (3/4,1/4,1/4;0,-my,0) 8e (1/4,1/4,0;mx,my,0) (1/4,3/4,0;mx,-my,0) (1/4,1/4,1/2;-mx,my,0) (1/4,3/4,1/2;-mx,-my,0) 8d (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,0,1/4;0,0,0) 8c (0,1/4,1/4;0,0,0) (0,3/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) (1/2,3/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) ---------- OG: 69.11.615 F_Cm'm'm' UNI: 68.520 Ccca.1'_A[Fmmm] BNS: 68.520 C_Acca OG-BNS transformation: (0,-1/4,-1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,0,1/2) (mx|1/2,0,1/2) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,1/2)' (2z|1/2,0,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y,-z+1/2;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 16o (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y,1/2;mx,my,0) (-x+1/2,y,1/2;mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (x+1/2,y,1/2;-mx,-my,0) 16n (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,0,-z+1/2;mx,0,mz) (-x+1/2,0,z+1/2;mx,0,-mz) (x+1/2,0,z+1/2;-mx,0,-mz) (x+1/2,0,-z+1/2;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y,-z+1/2;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 16l (x,1/4,1/4;0,my,mz) (x,-1/4,-1/4;0,-my,-mz) (-x,1/4,-1/4;0,my,-mz) (-x,-1/4,1/4;0,-my,mz) (-x+1/2,-1/4,1/4;0,my,mz) (-x+1/2,1/4,3/4;0,-my,-mz) (x+1/2,-1/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) 16k (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y,-1/4;-mx,0,-mz) (-1/4,-y,1/4;-mx,0,mz) (1/4,-y,1/4;mx,0,mz) (1/4,y,3/4;mx,0,-mz) (3/4,-y,3/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 16j (1/4,1/4,z;0,0,mz) (1/4,-1/4,-z;0,0,-mz) (1/4,-1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,-1/4,-z+1/2;0,0,mz) (-1/4,-1/4,-z;0,0,-mz) (-1/4,1/4,z;0,0,mz) 8i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 8h (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y,1/2;0,my,0) (1/2,y,1/2;0,-my,0) 8g (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 8f (1/4,1/4,1/4;0,0,mz) (1/4,-1/4,-1/4;0,0,-mz) (1/4,-1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) 8e (1/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (1/4,-1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 8d (1/4,0,1/4;mx,0,mz) (1/4,0,-1/4;mx,0,-mz) (-1/4,0,-1/4;-mx,0,-mz) (-1/4,0,1/4;-mx,0,mz) 8c (0,1/4,1/4;0,my,mz) (0,-1/4,-1/4;0,-my,-mz) (0,1/4,-1/4;0,my,-mz) (0,-1/4,1/4;0,-my,mz) 4b (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|0,0,1/2) (2z|0,1/2,0) (-1|1/2,1/2,0) (mx|1/2,0,1/2) (my|1/2,1/2,1/2) (mz|1/2,0,0) (1|0,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,1/2,1/2)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,0)+ 32p (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 16o (x,y,1/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y+1/2,1/4;-mx,-my,0) (-x+1/2,-y+1/2,3/4;mx,my,0) (-x+1/2,y,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x+1/2,y,3/4;-mx,-my,0) 16n (x,1/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x,1/4,-z+1/2;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x+1/2,1/4,-z;mx,0,mz) (-x+1/2,1/4,z+1/2;mx,0,-mz) (x+1/2,1/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z;-mx,0,mz) 16m (0,y,z;0,my,mz) (0,-y+1/2,-z+1/2;0,-my,-mz) (0,y,-z+1/2;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (1/2,-y+1/2,-z;0,my,mz) (1/2,y,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y,-z;0,-my,mz) 16l (x,1/2,1/2;0,my,mz) (x,0,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (-x+1/2,0,1/2;0,my,mz) (-x+1/2,1/2,0;0,-my,-mz) (x+1/2,0,0;0,my,-mz) (x+1/2,1/2,1/2;0,-my,mz) 16k (1/4,y,1/2;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,y,0;-mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,mz) (1/4,-y+1/2,1/2;mx,0,mz) (1/4,y,0;mx,0,-mz) (3/4,-y+1/2,0;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 16j (1/4,1/2,z;0,0,mz) (1/4,0,-z+1/2;0,0,-mz) (1/4,0,-z;0,0,mz) (1/4,1/2,z+1/2;0,0,-mz) (1/4,0,z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8i (0,1/4,z;0,0,mz) (0,1/4,-z+1/2;0,0,-mz) (1/2,1/4,-z;0,0,mz) (1/2,1/4,z+1/2;0,0,-mz) 8h (0,y,1/4;0,my,0) (0,-y+1/2,1/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,y,3/4;0,-my,0) 8g (x,1/4,1/4;mx,0,0) (-x,1/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 8f (1/4,1/2,1/2;0,0,mz) (1/4,0,0;0,0,-mz) (1/4,0,1/2;0,0,mz) (1/4,1/2,0;0,0,-mz) 8e (1/4,1/2,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 8d (1/4,1/4,1/2;mx,0,mz) (1/4,1/4,0;mx,0,-mz) (3/4,1/4,0;-mx,0,-mz) (3/4,1/4,1/2;-mx,0,mz) 8c (0,1/2,1/2;0,my,mz) (0,0,0;0,-my,-mz) (0,1/2,0;0,my,-mz) (0,0,1/2;0,-my,mz) 4b (0,1/4,3/4;0,0,0) (1/2,1/4,1/4;0,0,0) 4a (0,1/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) ---------- OG: 70.1.616 Fddd UNI: 70.527 Fddd.1 BNS: 70.527 Fddd Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,-mz) (7/8,7/8,-z;0,0,mz) (7/8,3/8,z+1/4;0,0,-mz) 16f (1/8,y,1/8;0,my,0) (1/8,-y+3/4,5/8;0,-my,0) (7/8,-y,7/8;0,my,0) (7/8,y+1/4,3/8;0,-my,0) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (-x,7/8,7/8;mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) 16d (1/2,1/2,1/2;mx,my,mz) (1/2,1/4,1/4;mx,-my,-mz) (1/4,1/2,1/4;-mx,my,-mz) (1/4,1/4,1/2;-mx,-my,mz) 16c (0,0,0;mx,my,mz) (0,3/4,3/4;mx,-my,-mz) (3/4,0,3/4;-mx,my,-mz) (3/4,3/4,0;-mx,-my,mz) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 70.2.617 Fddd1' UNI: 70.528 Fddd.1' BNS: 70.528 Fddd1' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (1|0,0,0)' (2x|0,3/4,3/4)' (2y|3/4,0,3/4)' (2z|3/4,3/4,0)' (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;0,0,0) (x,-y+3/4,-z+3/4;0,0,0) (-x+3/4,y,-z+3/4;0,0,0) (-x+3/4,-y+3/4,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/4,z+1/4;0,0,0) (x+1/4,-y,z+1/4;0,0,0) (x+1/4,y+1/4,-z;0,0,0) 16g (1/8,1/8,z;0,0,0) (1/8,5/8,-z+3/4;0,0,0) (7/8,7/8,-z;0,0,0) (7/8,3/8,z+1/4;0,0,0) 16f (1/8,y,1/8;0,0,0) (1/8,-y+3/4,5/8;0,0,0) (7/8,-y,7/8;0,0,0) (7/8,y+1/4,3/8;0,0,0) 16e (x,1/8,1/8;0,0,0) (-x+3/4,1/8,5/8;0,0,0) (-x,7/8,7/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 70.3.618 Fd'dd UNI: 70.529 Fd'dd BNS: 70.529 Fd'dd Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4)' (2z|3/4,3/4,0)' (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4) (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,0,1/2)+ (1/2,1/2,0)+ (0,1/2,1/2)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;mx,-my,mz) (-x+3/4,-y+3/4,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;mx,my,0) (1/8,5/8,-z+3/4;mx,-my,0) (3/8,3/8,-z;-mx,-my,0) (3/8,7/8,z+1/4;-mx,my,0) 16f (1/8,y,1/8;mx,0,mz) (1/8,-y+3/4,5/8;mx,0,-mz) (3/8,-y,3/8;-mx,0,-mz) (3/8,y+1/4,7/8;-mx,0,mz) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;mx,0,0) (-x,7/8,7/8;-mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) 8b (1/8,1/8,5/8;mx,0,0) (3/8,7/8,7/8;-mx,0,0) 8a (1/8,1/8,1/8;mx,0,0) (3/8,7/8,3/8;-mx,0,0) ---------- OG: 70.4.619 Fd'd'd UNI: 70.530 Fd'd'd BNS: 70.530 Fd'd'd Operators: (1|0,0,0) (2x|0,3/4,3/4)' (2y|3/4,0,3/4)' (2z|3/4,3/4,0) (-1|0,0,0) (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0) Wyckoff positions: (0,0,0)+ (0,2,0)+ (0,0,2)+ (1,1,0)+ (1/2,1/2,1)+ (1/2,3/2,0)+ (0,1,1)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;-mx,my,mz) (-x+3/4,y,-z+3/4;mx,-my,mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;-mx,-my,mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,mz) (7/8,7/8,-z;0,0,mz) (7/8,3/8,z+1/4;0,0,mz) 16f (1/8,y,1/8;mx,0,mz) (5/8,-y+3/4,1/8;-mx,0,mz) (7/8,-y,7/8;mx,0,mz) (3/8,y+1/4,7/8;-mx,0,mz) 16e (x,1/8,1/8;0,my,mz) (-x+3/4,5/8,1/8;0,-my,mz) (-x,7/8,7/8;0,my,mz) (x+1/4,3/8,7/8;0,-my,mz) 16d (1/2,1/2,1/2;mx,my,mz) (1/2,1/4,1/4;-mx,my,mz) (1/4,1/2,1/4;mx,-my,mz) (1/4,1/4,1/2;-mx,-my,mz) 16c (0,0,0;mx,my,mz) (0,3/4,3/4;-mx,my,mz) (3/4,0,3/4;mx,-my,mz) (3/4,3/4,0;-mx,-my,mz) 8b (1/8,1/8,5/8;0,0,mz) (7/8,7/8,3/8;0,0,mz) 8a (1/8,1/8,1/8;0,0,mz) (7/8,7/8,7/8;0,0,mz) ---------- OG: 70.5.620 Fd'd'd' UNI: 70.531 Fd'd'd' BNS: 70.531 Fd'd'd' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 32h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) 16g (1/8,1/8,z;0,0,mz) (1/8,5/8,-z+3/4;0,0,-mz) (7/8,7/8,-z;0,0,-mz) (7/8,3/8,z+1/4;0,0,mz) 16f (1/8,y,1/8;0,my,0) (1/8,-y+3/4,5/8;0,-my,0) (7/8,-y,7/8;0,-my,0) (7/8,y+1/4,3/8;0,my,0) 16e (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (-x,7/8,7/8;-mx,0,0) (x+1/4,7/8,3/8;mx,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (1/8,1/8,5/8;0,0,0) (7/8,7/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 71.1.621 Immm UNI: 71.533 Immm.1 BNS: 71.533 Immm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,3/4;mx,-my,-mz) (3/4,1/4,3/4;-mx,my,-mz) (3/4,3/4,1/4;-mx,-my,mz) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 71.2.622 Immm1' UNI: 71.534 Immm.1' BNS: 71.534 Immm1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16o (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) 8n (x,y,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) 8m (x,0,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) 8l (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 71.3.623 Im'mm UNI: 71.535 Im'mm BNS: 71.535 Im'mm Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,-my,mz) (0,-y,z;0,my,-mz) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) 4i (0,0,z;0,my,0) (0,0,-z;0,-my,0) 4h (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,-mz) 4g (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 71.4.624 Im'm'm UNI: 71.536 Im'm'm BNS: 71.536 Im'm'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) 8m (x,0,z;mx,0,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,3/4;-mx,my,mz) (3/4,1/4,3/4;mx,-my,mz) (3/4,3/4,1/4;-mx,-my,mz) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4h (0,y,1/2;0,0,mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (-x,1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) 2c (1/2,1/2,0;0,0,mz) 2b (0,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 71.5.625 Im'm'm' UNI: 71.537 Im'm'm' BNS: 71.537 Im'm'm' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8n (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) 8m (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) 2d (1/2,0,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) 2b (0,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 71.6.626 I_Pmmm UNI: 47.256 Pmmm.1'_I[Immm] BNS: 47.256 P_Immm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (1,1/2,z+1/2;0,0,0) (1,1/2,-z+1/2;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,-1/2;0,0,0) (1/2,y+1/2,1;0,0,0) (1/2,-y+1/2,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1,1/2;0,0,0) (-x+1/2,1,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (1,1/2,1;0,0,0) 2c (1/2,1/2,0;0,0,0) (1,1,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,1,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) 8l (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) 8k (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 4i (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4h (0,y,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 4g (0,y,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 4f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 4e (x,0,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 71.7.627 I_Pm'mm UNI: 59.416 Pmmn.1'_I[Immm] BNS: 59.416 P_Immn OG-BNS transformation: (1/4,-1/4,-1/4;b,c,a) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1/2,1/2) (2z|1/2,1/2,1/2) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x,-y,0;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,-mz) 8m (x,0,z;0,my,0) (x,0,-z;0,-my,0) (-x+1/2,1/2,-z+1/2;0,my,0) (-x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (x+1/2,1/2,-z+1/2;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,my,0) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (1/2,-y+1/2,z+1/2;0,-my,mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,-1/4;mx,-my,-mz) (1/4,3/4,1/4;-mx,my,-mz) (1/4,1/4,3/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,1/4;-mx,my,mz) (-1/4,1/4,-1/4;mx,-my,mz) (-1/4,-1/4,1/4;mx,my,-mz) 4j (1/2,0,z;0,my,0) (1/2,0,-z;0,-my,0) (0,1/2,-z+1/2;0,my,0) (0,1/2,z+1/2;0,-my,0) 4i (0,0,z;0,my,0) (0,0,-z;0,-my,0) (1/2,1/2,-z+1/2;0,my,0) (1/2,1/2,z+1/2;0,-my,0) 4h (0,y,1/2;0,0,mz) (0,-y,-1/2;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,1;0,0,mz) 4g (0,y,0;0,0,mz) (0,-y,0;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,mz) 4f (x,1/2,0;0,0,0) (-x+1/2,1,1/2;0,0,0) (x+1/2,1,1/2;0,0,0) (-x,1/2,0;0,0,0) 4e (x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x,0,0;0,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,1,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,1,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|1/2,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (-1|0,0,0) (mz|1/2,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (1|1/2,1/2,1/2)' (2z|0,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (-1|1/2,1/2,1/2)' (mz|0,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x,y,-z+1/2;mx,my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) 8n (x,1/4,z;0,my,0) (-x+1/2,1/4,z;0,-my,0) (x+1/2,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (x+1/2,3/4,z+1/2;0,-my,0) (-x,3/4,z+1/2;0,my,0) (x,1/4,-z+1/2;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) 8m (1/4,y,z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (3/4,-y,z+1/2;mx,0,0) (1/4,-y+1/2,-z+1/2;-mx,0,0) (1/4,y,-z+1/2;mx,0,0) 8l (x,y,3/4;mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x,-y,1/4;mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) 8k (1/2,1/2,0;mx,my,mz) (0,0,0;-mx,-my,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,0,1/2;-mx,-my,-mz) (1/2,1/2,1/2;mx,my,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) 4j (1/4,y,1/4;mx,0,0) (1/4,-y+1/2,1/4;-mx,0,0) (3/4,-y,3/4;mx,0,0) (3/4,y+1/2,3/4;-mx,0,0) 4i (1/4,y,3/4;mx,0,0) (1/4,-y+1/2,3/4;-mx,0,0) (3/4,-y,1/4;mx,0,0) (3/4,y+1/2,1/4;-mx,0,0) 4h (x,3/4,3/4;0,my,0) (-x+1/2,3/4,3/4;0,-my,0) (x+1/2,1/4,1/4;0,-my,0) (-x,1/4,1/4;0,my,0) 4g (x,1/4,3/4;0,my,0) (-x+1/2,1/4,3/4;0,-my,0) (x+1/2,3/4,1/4;0,-my,0) (-x,3/4,1/4;0,my,0) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 4e (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) 2d (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2c (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2b (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 2a (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) ---------- OG: 71.8.628 I_Pm'm'm UNI: 58.404 Pnnm.1'_I[Immm] BNS: 58.404 P_Innm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8l (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4j (1/2,0,z;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (-1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,1,1/2;0,0,-mz) (-x,-1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) (1,1/2,0;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (1,0,1/2;0,0,-mz) 2b (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8n (x,y,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8m (x,0,z;mx,0,mz) (x+1/2,1/2,-z+1/2;mx,0,-mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) 8l (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) 8k (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4j (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,0,mz) (1/2,-y+1/2,0;0,0,-mz) (1/2,y+1/2,0;0,0,-mz) (0,-y,1/2;0,0,mz) 4g (0,y,0;0,0,mz) (1/2,-y+1/2,1/2;0,0,-mz) (1/2,y+1/2,1/2;0,0,-mz) (0,-y,0;0,0,mz) 4f (x,1/2,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) 4e (x,0,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) 2d (1/2,0,1/2;0,0,mz) (0,1/2,0;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (0,0,1/2;0,0,-mz) 2b (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 71.9.629 I_Pm'm'm' UNI: 48.264 Pnnn.1'_I[Immm] BNS: 48.264 P_Innn OG-BNS transformation: (-1/4,-1/4,-1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8n (x,y,0;mx,my,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8m (x,0,z;mx,0,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,-z+1/2;mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (x+1/2,1/2,-z+1/2;-mx,0,mz) 8l (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) 8k (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,-1/4;mx,-my,-mz) (-1/4,1/4,-1/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,1/4;-mx,my,mz) (1/4,3/4,1/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4j (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4i (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4h (0,y,1/2;0,my,0) (0,-y,-1/2;0,-my,0) (1/2,-y+1/2,0;0,my,0) (1/2,y+1/2,1;0,-my,0) 4g (0,y,0;0,my,0) (0,-y,0;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (1/2,y+1/2,1/2;0,-my,0) 4f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) 4e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2c (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8n (x,y,1/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,3/4;-mx,-my,0) 8m (x,1/4,z;mx,0,mz) (x,1/4,-z+1/2;mx,0,-mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,1/4,z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,3/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,3/4,-z;-mx,0,mz) 8l (1/4,y,z;0,my,mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (1/4,y,-z+1/2;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,-y,z+1/2;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) 8k (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (0,0,0;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4j (3/4,1/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 4i (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 4h (1/4,y,3/4;0,my,0) (1/4,-y+1/2,3/4;0,-my,0) (3/4,-y,1/4;0,my,0) (3/4,y+1/2,1/4;0,-my,0) 4g (1/4,y,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y+1/2,3/4;0,-my,0) 4f (x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) 4e (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) 2d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2c (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2b (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 72.1.630 Ibam UNI: 72.539 Ibam.1 BNS: 72.539 Ibam Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (3/4,1/4,1/4;-mx,my,-mz) (3/4,3/4,1/4;-mx,-my,mz) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 72.2.631 Ibam1' UNI: 72.540 Ibam.1' BNS: 72.540 Ibam1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) 8j (x,y,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) 8i (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 8h (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8g (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (0,-y,3/4;0,0,0) (0,y,3/4;0,0,0) 8f (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (x,0,3/4;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 72.3.632 Ib'am UNI: 72.541 Ib'am BNS: 72.541 Ib'am Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,0,1)+ (0,-1,0)+ (1,0,0)+ (1/2,-1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;-mx,-my,0) (0,0,z+1/2;-mx,my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;-mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;-mx,0,0) ---------- OG: 72.4.633 Ibam' UNI: 72.542 Ibam' BNS: 72.542 Ibam' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;-mx,0,-mz) (0,y,3/4;mx,0,-mz) 8f (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 72.5.634 Ib'a'm UNI: 72.543 Ib'a'm BNS: 72.543 Ib'a'm Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,0,3/4;0,-my,mz) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;-mx,my,mz) (3/4,1/4,1/4;mx,-my,mz) (3/4,3/4,1/4;-mx,-my,mz) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 72.6.635 Iba'm' UNI: 72.544 Iba'm' BNS: 72.544 Iba'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,1)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) 8i (0,1/2,z;mx,my,0) (0,1/2,-z+1/2;mx,-my,0) (0,1/2,-z;mx,my,0) (0,1/2,z+1/2;mx,-my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,-z;mx,my,0) (0,0,z+1/2;mx,-my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (0,y,3/4;mx,0,-mz) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (3/4,1/4,1/4;mx,-my,mz) (3/4,3/4,1/4;mx,my,-mz) 4d (1/2,0,0;mx,my,0) (1/2,0,1/2;mx,-my,0) 4c (0,0,0;mx,my,0) (0,0,1/2;mx,-my,0) 4b (1/2,0,1/4;mx,0,0) (1/2,0,3/4;mx,0,0) 4a (0,0,1/4;mx,0,0) (0,0,3/4;mx,0,0) ---------- OG: 72.7.636 Ib'a'm' UNI: 72.545 Ib'a'm' BNS: 72.545 Ib'a'm' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 72.8.637 I_Pbam UNI: 49.276 Pccm.1'_I[Ibam] BNS: 49.276 P_Iccm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,1,z+1;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,-1/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y+1/2,5/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,5/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,3/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1,1/2,1/2;0,0,-mz) (1,1/2,1;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,1;0,0,mz) 4b (1/2,0,1/4;0,0,0) (-1/2,0,-1/4;0,0,0) (1,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (1/2,y+1/2,1/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (x+1/2,1/2,1/4;mx,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (0,1/2,0;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 72.9.638 I_Pb'am UNI: 57.392 Pbcm.1'_I[Ibam] BNS: 57.392 P_Ibcm OG-BNS transformation: (1/4,1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|1/2,1/2,1) (2z|1/2,1/2,1/2) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (1/2,1,-z+1;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,0,-z+1/2;mx,my,0) (1/2,1,z+1;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) 8h (0,0,z;mx,my,0) (0,0,-z+1/2;mx,-my,0) (1/2,1/2,-z+1;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/2;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (0,0,z+1/2;-mx,my,0) (0,0,-z;-mx,-my,0) 8g (0,y,1/4;mx,0,mz) (0,-y,1/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (1/2,-y+1/2,3/4;-mx,0,mz) (1/2,-y+1/2,1/4;mx,0,mz) (1/2,y+1/2,5/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8f (x,0,1/4;mx,0,0) (-x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x,0,1/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x+1/2,1/2,5/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,1/4;mx,-my,-mz) (1/4,3/4,3/4;-mx,my,-mz) (1/4,1/4,3/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,3/4;-mx,my,mz) (-1/4,1/4,1/4;mx,-my,mz) (-1/4,-1/4,1/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (1/2,0,1/4;mx,0,0) (0,1/2,3/4;-mx,0,0) (0,1/2,1/4;mx,0,0) (1/2,0,3/4;-mx,0,0) 4a (0,0,1/4;mx,0,0) (1/2,1/2,3/4;-mx,0,0) (1/2,1/2,1/4;mx,0,0) (0,0,3/4;-mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|0,1/2,1/2) (2z|0,0,1/2) (-1|0,0,0) (mx|0,1/2,0) (my|0,1/2,1/2) (mz|0,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,0,1/2)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,0,1/2)' (my|1/2,0,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8j (x,y,3/4;0,0,mz) (x,-y+1/2,1/4;0,0,-mz) (-x,y+1/2,3/4;0,0,-mz) (-x,-y,1/4;0,0,mz) (x+1/2,y+1/2,1/4;0,0,-mz) (x+1/2,-y,3/4;0,0,mz) (-x+1/2,y,1/4;0,0,mz) (-x+1/2,-y+1/2,3/4;0,0,-mz) 8i (3/4,1/4,z;mx,my,0) (3/4,1/4,-z;mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,3/4,z;mx,-my,0) (3/4,1/4,z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;-mx,-my,0) 8h (3/4,3/4,z;mx,my,0) (3/4,3/4,-z;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (1/4,1/4,-z;mx,my,0) (1/4,1/4,z;mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;-mx,-my,0) 8g (3/4,y,0;mx,0,mz) (3/4,-y+1/2,0;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,1/2;-mx,0,mz) (1/4,-y,0;mx,0,mz) (1/4,y+1/2,0;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (3/4,y,1/2;-mx,0,mz) 8f (x,3/4,0;mx,0,0) (-x,1/4,1/2;-mx,0,0) (-x,1/4,0;mx,0,0) (x,3/4,1/2;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (-x+1/2,3/4,0;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (x+1/2,1/4,0;mx,0,0) 8e (0,0,0;mx,my,mz) (0,1/2,0;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;mx,my,-mz) 4d (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4b (1/4,3/4,0;mx,0,0) (3/4,1/4,1/2;-mx,0,0) (3/4,1/4,0;mx,0,0) (1/4,3/4,1/2;-mx,0,0) 4a (3/4,3/4,0;mx,0,0) (1/4,1/4,1/2;-mx,0,0) (1/4,1/4,0;mx,0,0) (3/4,3/4,1/2;-mx,0,0) ---------- OG: 72.10.639 I_Pbam' UNI: 56.376 Pccn.1'_I[Ibam] BNS: 56.376 P_Iccn OG-BNS transformation: (1/4,1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x+1/2,y+1/2,1;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,1,z+1;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (1/2,-y+1/2,1/4;mx,0,mz) (0,y,3/4;mx,0,-mz) (0,-y,3/4;-mx,0,-mz) (1/2,y+1/2,1/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x+1/2,1/2,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,3/4;mx,-my,-mz) (1/4,3/4,3/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (1/4,-1/4,1/4;-mx,my,mz) (-1/4,1/4,1/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1,1/2,1;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,0,1/4;0,0,mz) (1,1/2,3/4;0,0,-mz) (0,1/2,1/4;0,0,mz) (-1/2,0,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,mz) (0,0,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8j (x,y,3/4;mx,my,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y+1/2,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y+1/2,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8i (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 8h (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,z;0,0,mz) 8g (3/4,y,0;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (1/4,y+1/2,1/2;-mx,0,-mz) (3/4,-y+1/2,0;-mx,0,mz) (1/4,-y,0;mx,0,mz) (3/4,y,1/2;mx,0,-mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 8f (x,3/4,0;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x,1/4,1/2;0,my,-mz) (-x+1/2,3/4,0;0,-my,mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x,3/4,1/2;0,my,-mz) (x+1/2,1/4,0;0,-my,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,0,1/2;mx,my,-mz) 4d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 4a (3/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (1/4,1/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) ---------- OG: 72.11.640 I_Pb'a'm UNI: 55.364 Pbam.1'_I[Ibam] BNS: 55.364 P_Ibam OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,-1/4;mx,0,mz) (1/2,y+1/2,5/4;mx,0,-mz) (1/2,-y+1/2,5/4;-mx,0,-mz) (0,y,-1/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x+1/2,1/2,5/4;0,my,-mz) (x,0,-1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (3/4,1/4,5/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (1/2,0,0;0,0,mz) (1,1/2,1;0,0,-mz) (1,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (1,1/2,3/4;0,0,-mz) (-1/2,0,-1/4;0,0,mz) (0,1/2,5/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,5/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8j (x,y,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;mx,0,mz) (1/2,-y+1/2,3/4;mx,0,-mz) (1/2,y+1/2,3/4;-mx,0,-mz) (0,-y,1/4;-mx,0,mz) (0,-y,3/4;mx,0,mz) (1/2,y+1/2,1/4;mx,0,-mz) (1/2,-y+1/2,1/4;-mx,0,-mz) (0,y,3/4;-mx,0,mz) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x,0,3/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 4c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) ---------- OG: 72.12.641 I_Pb'am' UNI: 60.432 Pbcn.1'_I[Ibam] BNS: 60.432 P_Ibcn OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,1) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,1)' (2z|0,0,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,1)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y+1/2,1;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (1/2,0,-z+1;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,1,z+1;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1/2,1,-z+1/2;-mx,-my,0) 8h (0,0,z;mx,my,0) (1/2,1/2,-z+1;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z+1;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,1/2,-z+1/2;-mx,-my,0) 8g (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,-1/4;0,my,0) (1/2,y+1/2,5/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (1,1/2,1;mx,-my,0) (-1/2,0,1/2;-mx,my,0) (0,1/2,1/2;-mx,-my,0) 4c (0,0,0;mx,my,0) (1/2,1/2,1;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,1/2,1/2;-mx,-my,0) 4b (1/2,0,1/4;0,my,0) (1,1/2,3/4;0,-my,0) (-1/2,0,-1/4;0,my,0) (0,1/2,5/4;0,-my,0) 4a (0,0,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) (0,0,-1/4;0,my,0) (1/2,1/2,5/4;0,-my,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,0,1/2) (2z|1/2,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,0,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1/2,1/2,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,0;mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (1/2,0,-z;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z;mx,my,0) (1/2,0,z;mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,0,-z+1/2;-mx,-my,0) 8h (0,0,z;mx,my,0) (1/2,1/2,-z;mx,-my,0) (0,0,-z+1/2;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;mx,my,0) (1/2,1/2,z;mx,-my,0) (0,0,z+1/2;-mx,my,0) (1/2,1/2,-z+1/2;-mx,-my,0) 8g (0,y,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y,1/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,0,1/4;0,my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,0,3/4;0,my,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (1/2,0,0;mx,my,0) (0,1/2,0;mx,-my,0) (1/2,0,1/2;-mx,my,0) (0,1/2,1/2;-mx,-my,0) 4c (0,0,0;mx,my,0) (1/2,1/2,0;mx,-my,0) (0,0,1/2;-mx,my,0) (1/2,1/2,1/2;-mx,-my,0) 4b (1/2,0,1/4;0,my,0) (0,1/2,3/4;0,-my,0) (1/2,0,3/4;0,my,0) (0,1/2,1/4;0,-my,0) 4a (0,0,1/4;0,my,0) (1/2,1/2,3/4;0,-my,0) (0,0,3/4;0,my,0) (1/2,1/2,1/4;0,-my,0) ---------- OG: 72.13.642 I_Pb'a'm' UNI: 50.288 Pban.1'_I[Ibam] BNS: 50.288 P_Iban OG-BNS transformation: (-1/4,-1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (-x+1/2,y+1/2,1;mx,-my,0) (x+1/2,-y+1/2,1;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (0,1/2,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8h (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,y+1/2,5/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (0,-y,-1/4;0,-my,0) (0,y,3/4;0,my,0) 8f (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (x+1/2,1/2,5/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (x,0,3/4;mx,0,0) 8e (1/4,1/4,1/4;mx,my,mz) (1/4,-1/4,1/4;mx,-my,-mz) (-1/4,1/4,1/4;-mx,my,-mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (3/4,1/4,3/4;-mx,my,mz) (1/4,3/4,3/4;mx,-my,mz) (1/4,1/4,3/4;mx,my,-mz) 4d (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,1;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) 4b (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1,1/2,3/4;0,0,0) (-1/2,0,-1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (-1|0,0,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) 8j (x,y,3/4;mx,my,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8i (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8g (1/4,y,0;0,my,0) (1/4,-y+1/2,0;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y+1/2,0;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (3/4,-y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (1/4,y,1/2;0,my,0) 8f (x,1/4,0;mx,0,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (x+1/2,3/4,0;-mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (x,1/4,1/2;mx,0,0) 8e (1/2,1/2,0;mx,my,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (0,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,1/2;mx,my,-mz) 4d (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) ---------- OG: 73.1.643 Ibca UNI: 73.548 Ibca.1 BNS: 73.548 Ibca Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,-mz) 8d (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,my,0) (3/4,y,1/2;0,-my,0) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (x+1/2,0,1/4;-mx,0,0) 8b (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;mx,-my,-mz) (1/4,1/4,3/4;-mx,my,-mz) (3/4,1/4,1/4;-mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) ---------- OG: 73.2.644 Ibca1' UNI: 73.549 Ibca.1' BNS: 73.549 Ibca1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) (x,y+1/2,-z;0,0,0) 8e (0,1/4,z;0,0,0) (0,3/4,-z+1/2;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) 8d (1/4,y,0;0,0,0) (1/4,-y,1/2;0,0,0) (3/4,-y,0;0,0,0) (3/4,y,1/2;0,0,0) 8c (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) (-x,0,3/4;0,0,0) (x+1/2,0,1/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 73.3.645 Ib'ca UNI: 73.550 Ib'ca BNS: 73.550 Ib'ca Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;mx,my,0) (0,3/4,-z+1/2;mx,-my,0) (0,3/4,-z;-mx,-my,0) (1/2,3/4,z;-mx,my,0) 8d (1/4,y,0;mx,0,mz) (1/4,-y,1/2;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;mx,0,0) (-x,0,3/4;-mx,0,0) (x+1/2,0,1/4;-mx,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 73.4.646 Ib'c'a UNI: 73.551 Ib'c'a BNS: 73.551 Ib'c'a Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (0,-1,0)+ (1/2,0,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,mz) (0,3/4,-z;0,0,mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;mx,0,mz) (3/4,-y+1/2,0;-mx,0,mz) (3/4,-y,0;mx,0,mz) (1/4,y+1/2,0;-mx,0,mz) 8c (x,0,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (x,1/2,3/4;0,-my,mz) 8b (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,1/4;-mx,my,mz) (1/4,1/4,3/4;mx,-my,mz) (3/4,1/4,1/4;-mx,-my,mz) 8a (0,0,0;mx,my,mz) (0,0,1/2;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,0;-mx,-my,mz) ---------- OG: 73.5.647 Ib'c'a' UNI: 73.552 Ib'c'a' BNS: 73.552 Ib'c'a' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8e (0,1/4,z;0,0,mz) (0,3/4,-z+1/2;0,0,-mz) (0,3/4,-z;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;0,my,0) (1/4,-y,1/2;0,-my,0) (3/4,-y,0;0,-my,0) (3/4,y,1/2;0,my,0) 8c (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 73.6.648 I_Pbca UNI: 61.440 Pbca.1'_I[Icab] BNS: 61.440 P_Ibca OG-BNS transformation: (1/4,1/4,1/4;a,-c,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|1/2,1/2,1)' (my|1,1/2,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8e (0,1/4,z;mx,my,0) (1/2,1/4,-z+1;mx,-my,0) (1,3/4,-z+1/2;-mx,my,0) (1/2,3/4,z+1/2;-mx,-my,0) (1/2,1/4,-z+1/2;mx,my,0) (0,1/4,z+1/2;mx,-my,0) (1/2,-1/4,z;-mx,my,0) (0,3/4,-z;-mx,-my,0) 8d (1/4,y,0;mx,0,mz) (3/4,-y+1/2,1;mx,0,-mz) (3/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y+1,1/2;-mx,0,mz) (1/4,-y+1/2,1/2;mx,0,mz) (-1/4,y,1/2;mx,0,-mz) (3/4,-y,0;-mx,0,-mz) (1/4,y+1/2,0;-mx,0,mz) 8c (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) (-x+1/2,1/2,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) 8b (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,3/4;mx,-my,-mz) (3/4,3/4,1/4;-mx,my,-mz) (1/4,3/4,3/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (1/4,-1/4,1/4;-mx,my,mz) (1/4,1/4,-1/4;mx,-my,mz) (-1/4,1/4,1/4;mx,my,-mz) 8a (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2z|1/2,0,1/2) (2y|0,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (mz|1/2,0,1/2) (my|0,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2z|0,1/2,0)' (2y|1/2,0,0)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (mz|0,1/2,0)' (my|1/2,0,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,y+1/2,-z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) 8e (3/4,y,0;mx,0,mz) (1/4,-y+1/2,0;mx,0,-mz) (3/4,-y,1/2;-mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) (1/4,-y,0;mx,0,mz) (3/4,y+1/2,0;mx,0,-mz) (1/4,y,1/2;-mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,-mz) 8d (0,1/4,z;mx,my,0) (1/2,1/4,-z;mx,-my,0) (1/2,3/4,z+1/2;-mx,-my,0) (0,3/4,-z+1/2;-mx,my,0) (0,3/4,-z;mx,my,0) (1/2,3/4,z;mx,-my,0) (1/2,1/4,-z+1/2;-mx,-my,0) (0,1/4,z+1/2;-mx,my,0) 8c (x,0,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,0,1/4;0,-my,mz) (-x,1/2,3/4;0,my,-mz) (-x,0,1/4;0,my,mz) (-x+1/2,1/2,3/4;0,-my,-mz) (x+1/2,0,3/4;0,-my,mz) (x,1/2,1/4;0,my,-mz) 8b (0,0,0;mx,my,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,0,1/2;-mx,-my,mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,0,1/2;-mx,my,mz) (0,1/2,0;mx,my,-mz) (1/2,0,0;mx,-my,mz) 8a (3/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) ---------- OG: 73.7.649 I_Pb'ca UNI: 54.352 Pcca.1'_I[Icab] BNS: 54.352 P_Icca OG-BNS transformation: (0,0,0;a,-c,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,0,0) (2z|0,1/2,0) (-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,0,0) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1,1/2,1/2)' (2z|1/2,1,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|1,1/2,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,-z+1;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,3/4,z+1;0,0,-mz) (1/2,3/4,z+1/2;0,0,-mz) (0,-1/4,-z+1/2;0,0,mz) (1/2,1/4,-z+1/2;0,0,-mz) (0,1/4,z+1/2;0,0,mz) 8d (1/4,y,0;0,my,0) (3/4,-y+1/2,1;0,-my,0) (-1/4,-y,0;0,my,0) (1/4,y+1/2,1;0,-my,0) (3/4,y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (1/4,-y+1/2,1/2;0,-my,0) (-1/4,y,1/2;0,my,0) 8c (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,0,-1/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (-x,0,-1/4;0,my,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) 8b (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (3/4,-1/4,1/4;0,0,0) (1/4,3/4,-1/4;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,1/2,1;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,0,1/2;-mx,my,mz) (1,1/2,1/2;mx,-my,mz) (1/2,1,1/2;mx,my,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,0,1/2) (2z|1/2,0,0) (2y|0,0,1/2) (-1|0,0,0) (mx|1/2,0,1/2) (mz|1/2,0,0) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2x|0,1/2,0)' (2z|0,1/2,1/2)' (2y|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,1/2,0)' (mz|0,1/2,1/2)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y+1/2,z;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) 8e (0,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (1/2,y,3/4;0,-my,0) (1/2,y+1/2,3/4;0,-my,0) (0,-y+1/2,3/4;0,my,0) (1/2,-y+1/2,1/4;0,-my,0) (0,y+1/2,1/4;0,my,0) 8d (1/4,0,z;0,0,mz) (3/4,0,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (1/4,0,z+1/2;0,0,-mz) (3/4,1/2,z+1/2;0,0,-mz) (1/4,1/2,-z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,1/2,z;0,0,mz) 8c (x,3/4,0;0,my,mz) (x+1/2,1/4,1/2;0,-my,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,1/2;0,my,-mz) (-x,1/4,0;0,my,mz) (-x+1/2,3/4,1/2;0,-my,-mz) (x+1/2,3/4,0;0,-my,mz) (x,1/4,1/2;0,my,-mz) 8b (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8a (0,0,0;mx,my,mz) (1/2,0,1/2;mx,-my,-mz) (1/2,0,0;-mx,-my,mz) (0,0,1/2;-mx,my,-mz) (1/2,1/2,1/2;-mx,-my,-mz) (0,1/2,0;-mx,my,mz) (0,1/2,1/2;mx,my,-mz) (1/2,1/2,0;mx,-my,mz) ---------- OG: 74.1.650 Imma UNI: 74.554 Imma.1 BNS: 74.554 Imma Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x,1/4,z;0,-my,0) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,my,0) (1/4,3/4,1/4;0,-my,0) 4c (1/4,1/4,1/4;0,my,0) (1/4,3/4,3/4;0,-my,0) 4b (0,0,1/2;mx,0,0) (0,1/2,1/2;-mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) ---------- OG: 74.2.651 Imma1' UNI: 74.555 Imma.1' BNS: 74.555 Imma1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x,y+1/2,-z;0,0,0) 8i (x,1/4,z;0,0,0) (x,3/4,-z;0,0,0) (-x,3/4,-z;0,0,0) (-x,1/4,z;0,0,0) 8h (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y+1/2,-z;0,0,0) (0,-y+1/2,z;0,0,0) 8g (1/4,y,1/4;0,0,0) (1/4,-y,3/4;0,0,0) (3/4,-y,3/4;0,0,0) (3/4,y,1/4;0,0,0) 8f (x,0,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,0;0,0,0) (x,1/2,0;0,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 74.3.652 Im'ma UNI: 74.556 Im'ma BNS: 74.556 Im'ma Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,-my,0) (-x,3/4,-z;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,my,-mz) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y+1/2,3/4;-mx,0,mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,0;-mx,0,0) 4e (0,1/4,z;0,my,0) (0,3/4,-z;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 74.4.653 Imma' UNI: 74.557 Imma' BNS: 74.557 Imma' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x,3/4,-z;0,my,0) (-x,3/4,-z;0,-my,0) (-x,1/4,z;0,-my,0) 8h (0,y,z;mx,0,0) (0,-y,-z;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;-mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 8f (x,0,0;0,my,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,-my,-mz) (x,1/2,0;0,my,-mz) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 74.5.654 Im'm'a UNI: 74.558 Im'm'a BNS: 74.558 Im'm'a Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (0,-1,0)+ (1/2,0,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;-mx,0,mz) 8h (0,y,z;0,my,mz) (0,-y,-z;0,my,mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (x,1/2,0;0,-my,mz) 4e (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,mz) 4d (1/4,1/4,3/4;mx,0,mz) (3/4,1/4,3/4;-mx,0,mz) 4c (1/4,1/4,1/4;mx,0,mz) (3/4,1/4,1/4;-mx,0,mz) 4b (0,0,1/2;0,my,mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (0,1/2,0;0,-my,mz) ---------- OG: 74.6.655 Imm'a' UNI: 74.559 Imm'a' BNS: 74.559 Imm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (0,1,1)+ (1,0,0)+ (0,1,0)+ (1/2,1,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,3/4;mx,0,-mz) (3/4,-y,3/4;mx,0,mz) (3/4,y,1/4;mx,0,-mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) 4d (1/4,1/4,3/4;mx,0,mz) (1/4,3/4,1/4;mx,0,-mz) 4c (1/4,1/4,1/4;mx,0,mz) (1/4,3/4,3/4;mx,0,-mz) 4b (0,0,1/2;mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;mx,0,0) ---------- OG: 74.7.656 Im'm'a' UNI: 74.560 Im'm'a' BNS: 74.560 Im'm'a' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x,3/4,-z;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) 8h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,-my,0) (3/4,y,1/4;0,my,0) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;0,0,mz) (0,3/4,-z;0,0,-mz) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 74.8.657 I_Pmma UNI: 51.304 Pmma.1'_I[Immb] BNS: 51.304 P_Imma OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (-1|0,0,0) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1,1/2)' (2z|1/2,1,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1,1/2)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x,-1/4,-z;0,-my,0) (-x,3/4,-z;0,my,0) (-x,1/4,z;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,1/4,-z+1/2;0,my,0) (-x+1/2,5/4,-z+1/2;0,-my,0) (-x+1/2,3/4,z+1/2;0,my,0) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1,-z+1/2;mx,0,0) (1/2,-y+1,z+1/2;mx,0,0) 8g (1/4,y,1/4;mx,0,mz) (1/4,-y,-1/4;mx,0,-mz) (-1/4,y+1/2,-1/4;-mx,0,-mz) (-1/4,-y+1/2,1/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (-1/4,y,1/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y+1/2,-1/4;-mx,0,mz) 8f (x,0,0;mx,0,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (x,1/2,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x+1/2,1,1/2;mx,0,0) 4e (0,1/4,z;0,0,0) (0,3/4,-z;0,0,0) (1/2,3/4,z+1/2;0,0,0) (1/2,5/4,-z+1/2;0,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,-1/4,-3/4;0,0,0) (-1/4,3/4,-3/4;0,0,0) (-1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,3/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) (1/2,1/2,1;-mx,0,0) (1/2,1,0;mx,0,0) 4a (0,0,0;mx,0,0) (0,1/2,0;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (1/2,1,1/2;mx,0,0) Operators (BNS): (1|0,0,0) (2y|0,0,0) (2x|1/2,0,0) (2z|1/2,0,0) (-1|0,0,0) (my|0,0,0) (mx|1/2,0,0) (mz|1/2,0,0) (1|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2x|0,1/2,1/2)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mx|0,1/2,1/2)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x,y,-z;-mx,my,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x,-y,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8i (1/4,y,z;mx,0,0) (3/4,y,-z;-mx,0,0) (3/4,-y,-z;mx,0,0) (1/4,-y,z;-mx,0,0) (3/4,y+1/2,z+1/2;-mx,0,0) (1/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,-z+1/2;-mx,0,0) (3/4,-y+1/2,z+1/2;mx,0,0) 8h (x,0,z;0,my,0) (-x,0,-z;0,my,0) (x+1/2,0,-z;0,-my,0) (-x+1/2,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,-z+1/2;0,-my,0) (x,1/2,-z+1/2;0,my,0) (-x,1/2,z+1/2;0,my,0) 8g (x,3/4,1/4;0,my,mz) (-x,3/4,3/4;0,my,-mz) (x+1/2,1/4,3/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (x,1/4,1/4;0,my,-mz) (-x+1/2,3/4,1/4;0,-my,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8f (0,y,0;0,my,0) (1/2,-y,0;0,-my,0) (0,-y,0;0,my,0) (1/2,y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (0,-y+1/2,1/2;0,my,0) (1/2,-y+1/2,1/2;0,-my,0) (0,y+1/2,1/2;0,my,0) 4e (1/4,0,z;0,0,0) (3/4,0,-z;0,0,0) (3/4,1/2,z+1/2;0,0,0) (1/4,1/2,-z+1/2;0,0,0) 4d (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;0,my,0) (1/2,0,1/2;0,-my,0) (1/2,1/2,0;0,-my,0) (0,1/2,0;0,my,0) 4a (0,0,0;0,my,0) (1/2,0,0;0,-my,0) (1/2,1/2,1/2;0,-my,0) (0,1/2,1/2;0,my,0) ---------- OG: 74.9.658 I_Pm'm'a UNI: 52.320 Pnna.1'_I[Immb] BNS: 52.320 P_Inna OG-BNS transformation: (0,0,0;b,-a,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1,1/2) (2z|0,1/2,0) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1,1/2) (mz|0,1/2,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|1/2,1,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,1/2,0)' (mz|1/2,1,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1,z+1/2;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x+1/2,1/4,-z+1/2;mx,0,-mz) (-x+1/2,5/4,-z+1/2;-mx,0,-mz) (-x,1/4,z;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x+1/2,3/4,z+1/2;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x,3/4,-z;-mx,0,mz) 8h (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1,-z+1/2;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1,z+1/2;0,my,-mz) (0,y+1/2,-z;0,-my,mz) 8g (1/4,y,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (1/4,y+1/2,3/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (1/4,-y,-1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (-1/4,y,1/4;0,my,0) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1,1/2;0,my,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x+1/2,1,1/2;0,my,-mz) (x,1/2,0;0,-my,mz) 4e (0,1/4,z;0,0,mz) (1/2,5/4,-z+1/2;0,0,-mz) (0,-1/4,-z;0,0,mz) (1/2,3/4,z+1/2;0,0,-mz) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,-1/4;0,0,0) (-1/4,-1/4,-3/4;0,0,0) (1/4,3/4,5/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1/2,0;0,-my,-mz) (1/2,1,0;0,my,-mz) (0,1/2,1/2;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (1/2,1,1/2;0,my,-mz) (0,1/2,0;0,-my,mz) Operators (BNS): (1|0,0,0) (2y|1/2,1/2,1/2) (2x|0,1/2,1/2) (2z|1/2,0,0) (-1|0,0,0) (my|1/2,1/2,1/2) (mx|0,1/2,1/2) (mz|1/2,0,0) (1|1/2,1/2,1/2)' (2y|0,0,0)' (2x|1/2,0,0)' (2z|0,1/2,1/2)' (-1|1/2,1/2,1/2)' (my|0,0,0)' (mx|1/2,0,0)' (mz|0,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x,y,-z;mx,-my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (x,-y,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) (x,y+1/2,-z+1/2;mx,my,-mz) 8i (1/4,y,z;0,my,mz) (1/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y+1/2,-z+1/2;0,-my,-mz) (1/4,-y,z;0,-my,mz) (3/4,-y,-z;0,my,mz) (3/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y+1/2,z+1/2;0,-my,-mz) (3/4,y,-z;0,-my,mz) 8h (x,0,z;mx,0,mz) (-x+1/2,1/2,-z+1/2;-mx,0,-mz) (x,1/2,-z+1/2;mx,0,-mz) (-x+1/2,0,z;-mx,0,mz) (-x,0,-z;mx,0,mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (-x,1/2,z+1/2;mx,0,-mz) (x+1/2,0,-z;-mx,0,mz) 8g (x,3/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (x,1/4,1/4;mx,0,0) 8f (0,y,0;mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (0,-y+1/2,1/2;mx,0,-mz) (1/2,-y,0;-mx,0,mz) (0,-y,0;mx,0,mz) (1/2,-y+1/2,1/2;-mx,0,-mz) (0,y+1/2,1/2;mx,0,-mz) (1/2,y,0;-mx,0,mz) 4e (1/4,0,z;0,0,mz) (1/4,1/2,-z+1/2;0,0,-mz) (3/4,0,-z;0,0,mz) (3/4,1/2,z+1/2;0,0,-mz) 4d (1/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (0,0,1/2;mx,0,mz) (1/2,1/2,0;-mx,0,-mz) (0,1/2,0;mx,0,-mz) (1/2,0,1/2;-mx,0,mz) 4a (0,0,0;mx,0,mz) (1/2,1/2,1/2;-mx,0,-mz) (0,1/2,1/2;mx,0,-mz) (1/2,0,0;-mx,0,mz) ---------- OG: 74.10.659 I_Pmm'a' UNI: 53.336 Pmna.1'_I[Imma] BNS: 53.336 P_Imna OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|1/2,1,1/2) (2z|1/2,1,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,1,1/2) (mz|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y+1,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y+1,z+1/2;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,-1/4,-z;mx,0,-mz) (-x+1/2,5/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,-1/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,5/4,-z+1/2;-mx,0,mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1,-z+1/2;-mx,0,0) (1/2,-y+1,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,-1/4;0,-my,0) (-1/4,-y,-1/4;0,my,0) (-1/4,y,1/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 8f (x,0,0;mx,0,0) (-x+1/2,1,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,1,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,-1/4,-z;mx,0,0) (1/2,5/4,-z+1/2;-mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,-1/4,-3/4;0,0,0) (-1/4,-1/4,-3/4;0,0,0) (-1/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,1,0;-mx,0,0) (1/2,1/2,1;-mx,0,0) (0,1/2,-1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,1,1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,0;mx,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|1/2,0,1/2) (2z|1/2,0,1/2) (-1|0,0,0) (mx|0,0,0) (my|1/2,0,1/2) (mz|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|0,1/2,0)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|0,1/2,0)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;mx,0,mz) (x,3/4,-z;mx,0,-mz) (-x+1/2,1/4,-z+1/2;-mx,0,-mz) (-x+1/2,3/4,z+1/2;-mx,0,mz) (-x,3/4,-z;mx,0,mz) (-x,1/4,z;mx,0,-mz) (x+1/2,3/4,z+1/2;-mx,0,-mz) (x+1/2,1/4,-z+1/2;-mx,0,mz) 8h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (1/2,y,-z+1/2;-mx,0,0) (1/2,-y,z+1/2;-mx,0,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;mx,0,0) 8g (1/4,y,1/4;0,my,0) (1/4,-y,3/4;0,-my,0) (3/4,-y,3/4;0,my,0) (3/4,y,1/4;0,-my,0) (3/4,y+1/2,3/4;0,-my,0) (3/4,-y+1/2,1/4;0,my,0) (1/4,-y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,my,0) 8f (x,0,0;mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (-x,0,0;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (x,1/2,0;mx,0,0) 4e (0,1/4,z;mx,0,0) (0,3/4,-z;mx,0,0) (1/2,1/4,-z+1/2;-mx,0,0) (1/2,3/4,z+1/2;-mx,0,0) 4d (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (0,0,1/2;mx,0,0) (1/2,0,0;-mx,0,0) (1/2,1/2,0;-mx,0,0) (0,1/2,1/2;mx,0,0) 4a (0,0,0;mx,0,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,1/2;-mx,0,0) (0,1/2,0;mx,0,0) ---------- OG: 74.11.660 I_Pm'ma' UNI: 62.456 Pnma.1'_I[Imma] BNS: 62.456 P_Inma OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,1,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,1,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|1/2,1,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|1/2,1,1/2)' (mz|0,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y+1,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y+1,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x,-1/4,-z;0,my,0) (-x+1/2,5/4,-z+1/2;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (1/2,-y+1,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z;0,my,-mz) (1/2,y+1,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (-1/4,y+1/2,-1/4;-mx,0,-mz) (1/4,-y+1,3/4;-mx,0,mz) (-1/4,-y,-1/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y+1,1/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x+1/2,1,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,0;0,my,-mz) (x+1/2,1,1/2;0,-my,mz) 4e (0,1/4,z;0,my,0) (1/2,1/4,-z+1/2;0,-my,0) (0,3/4,-z;0,my,0) (1/2,3/4,z+1/2;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,-1/4;0,0,0) (-1/4,3/4,-3/4;0,0,0) (1/4,3/4,5/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (-1/4,3/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,-1/2;0,my,-mz) (1/2,1,1;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,0;0,my,-mz) (1/2,1,1/2;0,-my,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|0,1/2,0) (2z|1/2,0,1/2) (-1|0,0,0) (mx|1/2,1/2,1/2) (my|0,1/2,0) (mz|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|1/2,0,1/2)' (2z|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|1/2,0,1/2)' (mz|0,1/2,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) 8i (x,1/4,z;0,my,0) (x+1/2,1/4,-z+1/2;0,-my,0) (-x,3/4,-z;0,my,0) (-x+1/2,3/4,z+1/2;0,-my,0) (x+1/2,3/4,z+1/2;0,-my,0) (x,3/4,-z;0,my,0) (-x+1/2,1/4,-z+1/2;0,-my,0) (-x,1/4,z;0,my,0) 8h (0,y,z;0,my,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (1/2,-y,z+1/2;0,-my,mz) (0,-y,-z;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (0,-y+1/2,z;0,my,-mz) (1/2,y,-z+1/2;0,-my,mz) 8g (1/4,y,1/4;mx,0,mz) (3/4,-y+1/2,1/4;mx,0,-mz) (3/4,y+1/2,3/4;-mx,0,-mz) (1/4,-y,3/4;-mx,0,mz) (3/4,-y,3/4;mx,0,mz) (1/4,y+1/2,3/4;mx,0,-mz) (1/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y,1/4;-mx,0,mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x+1/2,0,1/2;0,-my,mz) (-x,0,0;0,my,mz) (-x+1/2,1/2,1/2;0,-my,-mz) (x,1/2,0;0,my,-mz) (x+1/2,0,1/2;0,-my,mz) 4e (0,1/4,z;0,my,0) (1/2,1/4,-z+1/2;0,-my,0) (0,3/4,-z;0,my,0) (1/2,3/4,z+1/2;0,-my,0) 4d (1/4,1/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (0,0,1/2;0,my,mz) (1/2,1/2,0;0,-my,-mz) (0,1/2,1/2;0,my,-mz) (1/2,0,0;0,-my,mz) 4a (0,0,0;0,my,mz) (1/2,1/2,1/2;0,-my,-mz) (0,1/2,0;0,my,-mz) (1/2,0,1/2;0,-my,mz) ---------- OG: 75.1.661 P4 UNI: 75.1 P4.1 BNS: 75.1 P4 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 1b (1/2,1/2,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 75.2.662 P41' UNI: 75.2 P4.1' BNS: 75.2 P41' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 75.3.663 P4' UNI: 75.3 P4' BNS: 75.3 P4' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 75.4.664 P_2c4 UNI: 75.4 P4.1'_c[P4] BNS: 75.4 P_c4 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+1;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 75.5.665 P_P4 UNI: 75.5 P4.1'_C[rP4] BNS: 75.5 P_C4 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,mz) (1,0,z;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- OG: 75.6.666 P_I4 UNI: 79.28 I4.1'_c[rP4] BNS: 79.28 I_c4 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 8c (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 8c (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 75.7.667 P_2c4' UNI: 77.16 P4_2.1'_c[P4] BNS: 77.16 P_c4_2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 76.1.668 P4_1 UNI: 76.7 P4_1.1 BNS: 76.7 P4_1 Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- OG: 76.2.669 P4_11' UNI: 76.8 P4_1.1' BNS: 76.8 P4_11' Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|0,0,0)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;0,0,0) (-y,x,z+1/4;0,0,0) (y,-x,z+3/4;0,0,0) (-x,-y,z+1/2;0,0,0) ---------- OG: 76.3.670 P4_1' UNI: 76.9 P4_1' BNS: 76.9 P4_1' Operators: (1|0,0,0) (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- OG: 76.4.671 P_P4_1 UNI: 76.11 P4_1.1'_C[rP4_1] BNS: 76.11 P_C4_1 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1,0,0)' (4z|1,0,1/4)' (4z-1|1,0,3/4)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/4;my,-mx,-mz) (y+1,-x,z+3/4;-my,mx,-mz) (-x+1,-y,z+1/2;mx,my,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) ---------- OG: 77.1.672 P4_2 UNI: 77.13 P4_2.1 BNS: 77.13 P4_2 Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 77.2.673 P4_21' UNI: 77.14 P4_2.1' BNS: 77.14 P4_21' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4d (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 77.3.674 P4_2' UNI: 77.15 P4_2' BNS: 77.15 P4_2' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4d (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 77.4.675 P_2c4_2 UNI: 76.10 P4_1.1'_c[P4_2] BNS: 76.10 P_c4_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+3/2;my,-mx,0) (0,-1/2,z+1;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,z+1;-mx,-my,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|0,0,1/2)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (1/2,0,z+1/4;-my,mx,0) (1/2,0,z+3/4;my,-mx,0) (0,1/2,z+1/2;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (1/2,1/2,z+1/4;-my,mx,0) (1/2,1/2,z+3/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+1/4;-my,mx,0) (0,0,z+3/4;my,-mx,0) (0,0,z+1/2;-mx,-my,0) ---------- OG: 77.5.676 P_P4_2 UNI: 77.17 P4_2.1'_C[rP4_2] BNS: 77.17 P_C4_2 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) 4b (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4c (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,z;-mx,-my,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 77.6.677 P_I4_2 UNI: 80.32 I4_1.1'_c[rP4_2] BNS: 80.32 I_c4_1 OG-BNS transformation: (0,1/2,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 8c (0,1/2,z;0,0,mz) (-1/2,0,z+1/2;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+3/2;0,0,-mz) 8b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 8a (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,z+1;-mx,-my,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (1|0,0,1/2)' (4z|1/2,0,1/4)' (4z-1|1/2,0,1/4)' (2z|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/4;my,-mx,-mz) (y+1/2,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/4;0,0,-mz) 8b (1/4,1/4,z;mx,my,0) (3/4,3/4,z+1/4;-my,mx,0) (1/4,1/4,z+1/4;my,-mx,0) (3/4,3/4,z;-mx,-my,0) 8a (1/4,3/4,z;mx,my,0) (1/4,3/4,z+1/4;-my,mx,0) (3/4,1/4,z+1/4;my,-mx,0) (3/4,1/4,z;-mx,-my,0) ---------- OG: 77.7.678 P_2c4_2' UNI: 78.22 P4_3.1'_c[P4_2] BNS: 78.22 P_c4_3 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,3/2) (4z-1|0,0,1/2) (2z|0,0,1) (1|0,0,1)' (4z|0,0,1/2)' (4z-1|0,0,3/2)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z+1;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+3/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (-1/2,0,z+3/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z+1;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+3/2;-my,mx,0) (1/2,-1/2,z+1/2;my,-mx,0) (-1/2,-1/2,z+1;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+3/2;-my,mx,0) (0,0,z+1/2;my,-mx,0) (0,0,z+1;-mx,-my,0) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2z|0,0,0)' Wyckoff positions (BNS): 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4c (0,1/2,z;mx,my,0) (1/2,0,z+3/4;-my,mx,0) (1/2,0,z+1/4;my,-mx,0) (0,1/2,z+1/2;-mx,-my,0) 4b (1/2,1/2,z;mx,my,0) (1/2,1/2,z+3/4;-my,mx,0) (1/2,1/2,z+1/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) 4a (0,0,z;mx,my,0) (0,0,z+3/4;-my,mx,0) (0,0,z+1/4;my,-mx,0) (0,0,z+1/2;-mx,-my,0) ---------- OG: 78.1.679 P4_3 UNI: 78.19 P4_3.1 BNS: 78.19 P4_3 Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- OG: 78.2.680 P4_31' UNI: 78.20 P4_3.1' BNS: 78.20 P4_31' Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|0,0,0)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4a (x,y,z;0,0,0) (-y,x,z+3/4;0,0,0) (y,-x,z+1/4;0,0,0) (-x,-y,z+1/2;0,0,0) ---------- OG: 78.3.681 P4_3' UNI: 78.21 P4_3' BNS: 78.21 P4_3' Operators: (1|0,0,0) (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2z|0,0,1/2) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4a (x,y,z;mx,my,mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) ---------- OG: 78.4.682 P_P4_3 UNI: 78.23 P4_3.1'_C[rP4_3] BNS: 78.23 P_C4_3 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1,0,0)' (4z|1,0,3/4)' (4z-1|1,0,1/4)' (2z|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+3/4;my,-mx,-mz) (y+1,-x,z+1/4;-my,mx,-mz) (-x+1,-y,z+1/2;mx,my,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8a (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) ---------- OG: 79.1.683 I4 UNI: 79.25 I4.1 BNS: 79.25 I4 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- OG: 79.2.684 I41' UNI: 79.26 I4.1' BNS: 79.26 I41' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8c (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 79.3.685 I4' UNI: 79.27 I4' BNS: 79.27 I4' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8c (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) ---------- OG: 79.4.686 I_P4 UNI: 75.6 P4.1'_I[I4] BNS: 75.6 P_I4 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 79.5.687 I_P4' UNI: 77.18 P4_2.1'_I[I4] BNS: 77.18 P_I4_2 OG-BNS transformation: (0,1/2,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' Wyckoff positions (BNS): 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) 4b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2a (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- OG: 80.1.688 I4_1 UNI: 80.29 I4_1.1 BNS: 80.29 I4_1 Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) ---------- OG: 80.2.689 I4_11' UNI: 80.30 I4_1.1' BNS: 80.30 I4_11' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (1|0,0,0)' (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8b (x,y,z;0,0,0) (-y,x+1/2,z+1/4;0,0,0) (y,-x+1/2,z+1/4;0,0,0) (-x,-y,z;0,0,0) 4a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) ---------- OG: 80.3.690 I4_1' UNI: 80.31 I4_1' BNS: 80.31 I4_1' Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) ---------- OG: 80.4.691 I_P4_1 UNI: 76.12 P4_1.1'_I[I4_1] BNS: 76.12 P_I4_1 OG-BNS transformation: (1/4,-1/4,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|1/2,1,3/4) (2z|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1,3/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1,z+3/4;my,-mx,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1,z+3/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4a (0,0,z;mx,my,0) (0,1/2,z+1/4;-my,mx,0) (1/2,1,z+3/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4a (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/4;-my,mx,0) (1/4,1/4,z+3/4;my,-mx,0) (1/4,3/4,z+1/2;-mx,-my,0) ---------- OG: 80.5.692 I_P4_1' UNI: 78.24 P4_3.1'_I[I4_1] BNS: 78.24 P_I4_3 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1,3/4) (4z-1|0,1/2,1/4) (2z|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,1/4)' (4z-1|1/2,1,3/4)' (2z|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1,z+3/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1,z+3/4;-my,mx,-mz) (-x,-y,z;mx,my,-mz) 4a (0,0,z;mx,my,0) (1/2,1,z+3/4;-my,mx,0) (0,1/2,z+1/4;my,-mx,0) (1/2,1/2,z+1/2;-mx,-my,0) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2z|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2z|1/2,1/2,0)' Wyckoff positions (BNS): 8b (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) 4a (3/4,3/4,z;mx,my,0) (1/4,3/4,z+3/4;-my,mx,0) (3/4,1/4,z+1/4;my,-mx,0) (1/4,1/4,z+1/2;-mx,-my,0) ---------- OG: 81.1.693 P-4 UNI: 81.33 P-4.1 BNS: 81.33 P-4 Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 81.2.694 P-41' UNI: 81.34 P-4.1' BNS: 81.34 P-41' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 4h (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) 2g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 81.3.695 P-4' UNI: 81.35 P-4' BNS: 81.35 P-4' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 4h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 81.4.696 P_2c-4 UNI: 81.36 P-4.1'_c[P-4] BNS: 81.36 P_c-4 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) 4g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,-1/2,-z+1;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' Wyckoff positions (BNS): 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) 4g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 81.5.697 P_P-4 UNI: 81.37 P-4.1'_C[rP-4] BNS: 81.37 P_C-4 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1,0,0)' (2z|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) 4g (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) 4f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (3/2,1/2,z;0,0,-mz) (3/2,-1/2,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1,0,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1,0,0;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' Wyckoff positions (BNS): 8h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) 4g (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 81.6.698 P_I-4 UNI: 82.42 I-4.1'_c[rP-4] BNS: 82.42 I_c-4 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 16h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) 8g (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) 8f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,-1/2,-z+1;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 4d (1/2,1/2,1/2;0,0,mz) (1/2,1/2,3/2;0,0,-mz) 4c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 16h (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) 8g (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 82.1.699 I-4 UNI: 82.39 I-4.1 BNS: 82.39 I-4 Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (0,1/2,3/4;0,0,mz) 2c (0,1/2,1/4;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 82.2.700 I-41' UNI: 82.40 I-4.1' BNS: 82.40 I-41' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 8g (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 82.3.701 I-4' UNI: 82.41 I-4' BNS: 82.41 I-4' Operators: (1|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 82.4.702 I_P-4 UNI: 81.38 P-4.1'_I[I-4] BNS: 81.38 P_I-4 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,-3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,-1/4;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 8g (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 83.1.703 P4/m UNI: 83.43 P4/m.1 BNS: 83.43 P4/m Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) 4k (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) 4j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2f (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 83.2.704 P4/m1' UNI: 83.44 P4/m.1' BNS: 83.44 P4/m1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (x,y,-z;0,0,0) 4k (x,y,1/2;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (-x,-y,1/2;0,0,0) 4j (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (-x,-y,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 83.3.705 P4'/m UNI: 83.45 P4'/m BNS: 83.45 P4'/m Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;-mx,-my,mz) 4k (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) 4j (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 83.4.706 P4/m' UNI: 83.46 P4/m' BNS: 83.46 P4/m' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;mx,my,-mz) 4k (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,1/2;-mx,-my,0) 4j (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (-x,-y,0;-mx,-my,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2f (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 83.5.707 P4'/m' UNI: 83.47 P4'/m' BNS: 83.47 P4'/m' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;mx,my,-mz) 4k (x,y,1/2;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (-x,-y,1/2;-mx,-my,0) 4j (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (-x,-y,0;-mx,-my,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 83.6.708 P_2c4/m UNI: 83.48 P4/m.1'_c[P4/m] BNS: 83.48 P_c4/m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (x,y,-z+1;mx,my,-mz) 8k (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (x,y,-1/2;-mx,-my,0) 8j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (-x,-y,1;0,0,-mz) 8i (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,-mz) (1/2,0,-z+1;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (-1/2,-1/2,-z+1;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 4f (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) 4e (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (0,1/2,1;0,0,-mz) (-1/2,0,1;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,y,-z+1/2;mx,my,-mz) 8k (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (x,y,3/4;-mx,-my,0) 8j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (-x,-y,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 83.7.709 P_P4/m UNI: 83.49 P4/m.1'_C[rP4/m] BNS: 83.49 P_C4/m OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' (-1|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (x+1,y,-z;mx,my,-mz) 8k (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (x+1,y,1/2;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (-x+1,-y,1/2;0,0,-mz) 8j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (-y+1,x,0;0,0,-mz) (y+1,-x,0;0,0,-mz) (-x+1,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (0,1/2,-z;-mx,-my,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,-1/2,-z;0,0,0) (1/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,-mz) 4f (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 4e (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,0;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1,0,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1,0,0;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8k (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8i (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,1/4,-z;-mx,-my,0) 4h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 4f (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4e (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 83.8.710 P_I4/m UNI: 87.80 I4/m.1'_c[rP4/m] BNS: 87.80 I_c4/m OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (x,y,-z+1;mx,my,-mz) 16k (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (x,y,-1/2;-mx,-my,0) 16j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (-x,-y,1;0,0,-mz) 16i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (0,1/2,-z;-mx,-my,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,-1/2,-z;0,0,0) (1/2,-1/2,-z;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 8f (0,1/2,1/2;mx,my,0) (-1/2,0,1/2;-my,mx,0) (1/2,0,1/2;my,-mx,0) (0,-1/2,1/2;-mx,-my,0) 8e (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,0;0,0,0) 4d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,y,-z+1/2;mx,my,-mz) 16k (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (x,y,3/4;-mx,-my,0) 16j (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (-x,-y,1/2;0,0,-mz) 16i (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,1/4,-z;-mx,-my,0) 8h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 8f (3/4,1/4,1/4;mx,my,0) (3/4,3/4,1/4;-my,mx,0) (1/4,1/4,1/4;my,-mx,0) (1/4,3/4,1/4;-mx,-my,0) 8e (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 83.9.711 P_2c4'/m UNI: 84.56 P4_2/m.1'_c[P4/m] BNS: 84.56 P_c4_2/m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mz|0,0,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' (-1|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z+1;mx,my,-mz) 8k (x,y,1/2;mx,my,0) (-y,x,3/2;-my,mx,0) (y,-x,3/2;my,-mx,0) (-x,-y,1/2;-mx,-my,0) (-x,-y,-1/2;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (x,y,-1/2;-mx,-my,0) 8j (x,y,0;0,0,mz) (-y,x,1;0,0,mz) (y,-x,1;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (-x,-y,1;0,0,-mz) 8i (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z+1;0,0,mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z;0,0,-mz) (0,-1/2,-z+1;0,0,-mz) (1/2,0,-z;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) (-1/2,-1/2,-z;0,0,0) (1/2,-1/2,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) 4f (0,1/2,1/2;0,0,0) (-1/2,0,3/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 4e (0,1/2,0;0,0,mz) (-1/2,0,1;0,0,mz) (0,1/2,1;0,0,-mz) (-1/2,0,0;0,0,-mz) 2d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,3/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,1/2,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z+1/2;mx,my,-mz) 8k (x,y,1/4;mx,my,0) (-y,x,3/4;-my,mx,0) (y,-x,3/4;my,-mx,0) (-x,-y,1/4;-mx,-my,0) (-x,-y,3/4;mx,my,0) (y,-x,1/4;-my,mx,0) (-y,x,1/4;my,-mx,0) (x,y,3/4;-mx,-my,0) 8j (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,0;0,0,mz) (x,y,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (-x,-y,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4e (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 83.10.712 P_P4/m' UNI: 85.65 P4/n.1'_C[rP4/m] BNS: 85.65 P_C4/n OG-BNS transformation: (-1/2,1,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|1,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mz|1,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8k (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,1/2;-mx,-my,0) (-x+1,-y,-1/2;mx,my,0) (y+1,-x,-1/2;-my,mx,0) (-y+1,x,-1/2;my,-mx,0) (x+1,y,-1/2;-mx,-my,0) 8j (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (y+1,-x,0;-my,mx,0) (-y+1,x,0;my,-mx,0) (x+1,y,0;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) (1,-1/2,-z;mx,my,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (1,1/2,-z;-mx,-my,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (1/2,-1/2,-z;0,0,0) (3/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,mz) (1,0,-z;0,0,mz) (1,0,z;0,0,-mz) (0,0,-z;0,0,-mz) 4f (0,1/2,1/2;mx,my,0) (-1/2,0,1/2;-my,mx,0) (1/2,0,1/2;my,-mx,0) (0,-1/2,1/2;-mx,-my,0) 4e (0,1/2,0;mx,my,0) (-1/2,0,0;-my,mx,0) (1/2,0,0;my,-mx,0) (0,-1/2,0;-mx,-my,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2b (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2z|0,0,0)' (-1|1/2,1/2,0)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mz|0,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8k (x,y,1/2;mx,my,0) (-y+1/2,x,1/2;-my,mx,0) (y,-x+1/2,1/2;my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,1/2;-my,mx,0) (-y,x+1/2,1/2;my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8j (x,y,0;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,-y,0;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (x+1/2,y+1/2,0;-mx,-my,0) 8i (1/2,0,z;mx,my,0) (1/2,1/2,z;-my,mx,0) (0,0,z;my,-mx,0) (0,1/2,z;-mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z;-my,mx,0) (0,0,-z;my,-mx,0) (0,1/2,-z;-mx,-my,0) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4g (3/4,3/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) 4f (1/2,0,1/2;mx,my,0) (1/2,1/2,1/2;-my,mx,0) (0,0,1/2;my,-mx,0) (0,1/2,1/2;-mx,-my,0) 4e (1/2,0,0;mx,my,0) (1/2,1/2,0;-my,mx,0) (0,0,0;my,-mx,0) (0,1/2,0;-mx,-my,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2a (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 84.1.713 P4_2/m UNI: 84.51 P4_2/m.1 BNS: 84.51 P4_2/m Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) 4j (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 84.2.714 P4_2/m1' UNI: 84.52 P4_2/m.1' BNS: 84.52 P4_2/m1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z+1/2;0,0,0) (-y,x,-z+1/2;0,0,0) (x,y,-z;0,0,0) 4j (x,y,0;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (-x,-y,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 84.3.715 P4_2'/m UNI: 84.53 P4_2'/m BNS: 84.53 P4_2'/m Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (0,1,0)+ (0,0,1)+ (1,0,0)+ 8k (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,y,-z;-mx,-my,mz) 4j (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (-x,-y,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 84.4.716 P4_2/m' UNI: 84.54 P4_2/m' BNS: 84.54 P4_2/m' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,y,-z;mx,my,-mz) 4j (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,0;-mx,-my,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 84.5.717 P4_2'/m' UNI: 84.55 P4_2'/m' BNS: 84.55 P4_2'/m' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8k (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;mx,my,-mz) 4j (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (-x,-y,0;-mx,-my,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 84.6.718 P_P4_2/m UNI: 84.57 P4_2/m.1'_C[rP4_2/m] BNS: 84.57 P_C4_2/m OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' (-1|1,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mz|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (x+1,y,-z;mx,my,-mz) 8j (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,0;0,0,mz) (x+1,y,0;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (-x+1,-y,0;0,0,-mz) 8i (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,-1/2,-z;mx,my,0) (1/2,0,-z+1/2;-my,mx,0) (-1/2,0,-z+1/2;my,-mx,0) (0,1/2,-z;-mx,-my,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (-1/2,-1/2,-z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,-mz) (3/2,-1/2,-z+1/2;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) (1,0,-z;0,0,-mz) (1,0,-z+1/2;0,0,-mz) 4f (1/2,1/2,1/4;0,0,0) (-1/2,1/2,3/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) (1/2,-1/2,1/4;0,0,0) 4e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,3/4;0,0,-mz) 4d (0,1/2,1/2;0,0,0) (-1/2,0,1;0,0,0) (1/2,0,1;0,0,0) (0,-1/2,1/2;0,0,0) 4c (0,1/2,0;0,0,0) (-1/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,0;0,0,0) 4b (1/2,1/2,0;0,0,mz) (-1/2,1/2,1/2;0,0,mz) (3/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mz|1/2,1/2,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 8j (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,0;0,0,-mz) 8i (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,1/4,-z+1/2;-my,mx,0) (3/4,3/4,-z+1/2;my,-mx,0) (3/4,1/4,-z;-mx,-my,0) 8h (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4f (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) 4d (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4c (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4b (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 84.7.719 P_P4_2/m' UNI: 86.73 P4_2/n.1'_C[rP4_2/m] BNS: 86.73 P_C4_2/n OG-BNS transformation: (-1,1/2,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|1,0,0) (-4z|1,0,1/2) (-4z-1|1,0,1/2) (mz|1,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z+1/2;-my,mx,mz) (-y+1,x,-z+1/2;my,-mx,mz) (x+1,y,-z;-mx,-my,mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8j (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (-x,-y,0;-mx,-my,0) (-x+1,-y,0;mx,my,0) (y+1,-x,1/2;-my,mx,0) (-y+1,x,1/2;my,-mx,0) (x+1,y,0;-mx,-my,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (1,-1/2,-z;mx,my,0) (3/2,0,-z+1/2;-my,mx,0) (1/2,0,-z+1/2;my,-mx,0) (1,1/2,-z;-mx,-my,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,mz) (3/2,-1/2,-z+1/2;0,0,mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1,0,-z;0,0,mz) (1,0,-z+1/2;0,0,mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 4f (1/2,1/2,1/4;0,0,mz) (-1/2,1/2,3/4;0,0,mz) (3/2,1/2,1/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) 4e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1,0,-1/4;0,0,0) (1,0,1/4;0,0,0) 4d (0,1/2,1/2;mx,my,0) (-1/2,0,1;-my,mx,0) (1/2,0,1;my,-mx,0) (0,-1/2,1/2;-mx,-my,0) 4c (0,1/2,0;mx,my,0) (-1/2,0,1/2;-my,mx,0) (1/2,0,1/2;my,-mx,0) (0,-1/2,0;-mx,-my,0) 4b (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (3/2,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,0)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2z|0,0,0)' (-1|1/2,1/2,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (-x,-y,z;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8j (x,y,1/2;mx,my,0) (-y,x+1/2,0;-my,mx,0) (y+1/2,-x,0;my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,-y,1/2;mx,my,0) (y,-x+1/2,0;-my,mx,0) (-y+1/2,x,0;my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8i (1/2,1/2,z;mx,my,0) (1/2,0,z+1/2;-my,mx,0) (0,1/2,z+1/2;my,-mx,0) (0,0,z;-mx,-my,0) (1/2,1/2,-z;mx,my,0) (1/2,0,-z+1/2;-my,mx,0) (0,1/2,-z+1/2;my,-mx,0) (0,0,-z;-mx,-my,0) 8h (3/4,3/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) 8g (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) 4f (3/4,3/4,3/4;0,0,mz) (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,1/4;0,0,-mz) 4e (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4d (1/2,1/2,0;mx,my,0) (1/2,0,1/2;-my,mx,0) (0,1/2,1/2;my,-mx,0) (0,0,0;-mx,-my,0) 4c (1/2,1/2,1/2;mx,my,0) (1/2,0,0;-my,mx,0) (0,1/2,0;my,-mx,0) (0,0,1/2;-mx,-my,0) 4b (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) 4a (3/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 85.1.720 P4/n UNI: 85.59 P4/n.1 BNS: 85.59 P4/n Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) 4e (0,0,1/2;mx,my,mz) (1/2,0,1/2;-my,mx,mz) (0,1/2,1/2;my,-mx,mz) (1/2,1/2,1/2;-mx,-my,mz) 4d (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) 2c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) 2b (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,mz) 2a (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) ---------- OG: 85.2.721 P4/n1' UNI: 85.60 P4/n.1' BNS: 85.60 P4/n1' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2z|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4f (1/4,3/4,z;0,0,0) (3/4,1/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 2a (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 85.3.722 P4'/n UNI: 85.61 P4'/n BNS: 85.61 P4'/n Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (1,1,0)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 4e (0,0,1/2;mx,my,mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4d (0,0,0;mx,my,mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (1/2,1/2,0;-mx,-my,mz) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 2a (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 85.4.723 P4/n' UNI: 85.62 P4/n' BNS: 85.62 P4/n' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) 2b (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 2a (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 85.5.724 P4'/n' UNI: 85.63 P4'/n' BNS: 85.63 P4'/n' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2z|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,-mz) 2a (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,-mz) ---------- OG: 85.6.725 P_2c4/n UNI: 85.64 P4/n.1'_c[P4/n] BNS: 85.64 P_c4/n OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1)' (4z|1/2,0,1)' (4z-1|0,1/2,1)' (2z|1/2,1/2,1)' (-1|0,0,1)' (-4z|1/2,0,1)' (-4z-1|0,1/2,1)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1;my,-mx,-mz) (y,-x+1/2,z+1;-my,mx,-mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z+1;my,-mx,-mz) (-y,x+1/2,-z+1;-my,mx,-mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (1/4,3/4,z;0,0,mz) (-1/4,1/4,z;0,0,mz) (-1/4,-3/4,-z;0,0,mz) (5/4,-1/4,-z;0,0,mz) (1/4,3/4,z+1;0,0,-mz) (-1/4,1/4,z+1;0,0,-mz) (-1/4,-3/4,-z+1;0,0,-mz) (5/4,-1/4,-z+1;0,0,-mz) 8e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8d (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,1;my,-mx,-mz) (0,1/2,1;-my,mx,-mz) (1/2,1/2,1;mx,my,-mz) 4c (1/4,1/4,z;0,0,mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,-1/4,-z+1;0,0,-mz) 4b (1/4,3/4,1/2;0,0,0) (-1/4,1/4,1/2;0,0,0) (-1/4,-3/4,-1/2;0,0,0) (5/4,-1/4,-1/2;0,0,0) 4a (1/4,3/4,0;0,0,mz) (-1/4,1/4,0;0,0,mz) (1/4,3/4,1;0,0,-mz) (-1/4,1/4,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) (1|0,0,1/2)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) 8e (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8d (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (1/2,1/2,1/2;mx,my,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) 4b (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4a (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) ---------- OG: 85.7.726 P_2c4'/n UNI: 86.72 P4_2/n.1'_c[P4/n] BNS: 86.72 P_c4_2/n OG-BNS transformation: (3/2,-1/2,-1;b,-a,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,1) (4z-1|0,1/2,1) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1) (-4z-1|0,1/2,1) (mz|1/2,1/2,0) (1|0,0,1)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2z|1/2,1/2,1)' (-1|0,0,1)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z+1;-my,mx,mz) (y,-x+1/2,z+1;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1;-my,mx,mz) (-y,x+1/2,-z+1;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 8f (1/4,3/4,z;0,0,mz) (-1/4,1/4,z+1;0,0,mz) (-1/4,-3/4,-z;0,0,mz) (5/4,-1/4,-z+1;0,0,mz) (1/4,3/4,z+1;0,0,-mz) (-1/4,1/4,z;0,0,-mz) (-1/4,-3/4,-z+1;0,0,-mz) (5/4,-1/4,-z;0,0,-mz) 8e (0,0,1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8d (0,0,0;mx,my,mz) (1/2,0,1;-my,mx,mz) (0,1/2,1;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (1/2,1/2,1;mx,my,-mz) 4c (1/4,1/4,z;0,0,0) (1/4,1/4,z+1;0,0,0) (-1/4,-1/4,-z;0,0,0) (3/4,-1/4,-z+1;0,0,0) 4b (1/4,3/4,1/2;0,0,mz) (-1/4,1/4,3/2;0,0,mz) (1/4,3/4,3/2;0,0,-mz) (-1/4,1/4,1/2;0,0,-mz) 4a (1/4,3/4,0;0,0,0) (-1/4,1/4,1;0,0,0) (-1/4,-3/4,0;0,0,0) (5/4,-1/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,1/2)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2z|1/2,1/2,1/2)' (-1|0,0,1/2)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8f (1/4,1/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,-mz) 8e (1/2,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) 8d (1/2,1/2,1/2;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (0,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx,-my,-mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (0,0,0;mx,my,-mz) 4c (3/4,1/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 4b (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) (1/4,1/4,1/4;0,0,-mz) (3/4,3/4,3/4;0,0,-mz) 4a (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 86.1.727 P4_2/n UNI: 86.67 P4_2/n.1 BNS: 86.67 P4_2/n Operators: (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (1/4,1/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) 4e (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) 4d (0,0,1/2;mx,my,mz) (0,1/2,0;-my,mx,mz) (1/2,0,0;my,-mx,mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;-my,mx,mz) (1/2,0,1/2;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) ---------- OG: 86.2.728 P4_2/n1' UNI: 86.68 P4_2/n.1' BNS: 86.68 P4_2/n1' Operators: (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,0)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2z|1/2,1/2,0)' (-1|0,0,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (-y,x+1/2,z+1/2;0,0,0) (y+1/2,-x,z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x,-z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) 4f (1/4,1/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) 4e (3/4,1/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 4d (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 86.3.729 P4_2'/n UNI: 86.69 P4_2'/n BNS: 86.69 P4_2'/n Operators: (1|0,0,0) (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mz|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (1,1,0)+ 8g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) 4f (1/4,1/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) 4e (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) 4d (0,0,1/2;mx,my,mz) (0,1/2,0;my,-mx,-mz) (1/2,0,0;-my,mx,-mz) (1/2,1/2,1/2;-mx,-my,mz) 4c (0,0,0;mx,my,mz) (0,1/2,1/2;my,-mx,-mz) (1/2,0,1/2;-my,mx,-mz) (1/2,1/2,0;-mx,-my,mz) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 86.4.730 P4_2/n' UNI: 86.70 P4_2/n' BNS: 86.70 P4_2/n' Operators: (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (1/4,1/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) 4e (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) 4d (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 86.5.731 P4_2'/n' UNI: 86.71 P4_2'/n' BNS: 86.71 P4_2'/n' Operators: (1|0,0,0) (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2z|1/2,1/2,0) (-1|0,0,0)' (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) 4f (1/4,1/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) 4e (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) 4d (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2b (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) ---------- OG: 86.6.732 P_I4_2/n UNI: 88.86 I4_1/a.1'_c[rP4_2/n] BNS: 88.86 I_c4_1/a OG-BNS transformation: (0,0,-1;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) (1|0,0,1)' (4z|0,1/2,3/2)' (4z-1|1/2,0,3/2)' (2z|1/2,1/2,1)' (-1|0,0,1)' (-4z|0,1/2,3/2)' (-4z-1|1/2,0,3/2)' (mz|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x+1/2,z+3/2;my,-mx,-mz) (y+1/2,-x,z+3/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+1/2,-z+3/2;my,-mx,-mz) (-y+1/2,x,-z+3/2;-my,mx,-mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) 16f (1/4,1/4,z;0,0,mz) (-1/4,3/4,z+1/2;0,0,mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1;0,0,-mz) (-1/4,3/4,z+3/2;0,0,-mz) (-1/4,-1/4,-z+1;0,0,-mz) (1/4,1/4,-z+3/2;0,0,-mz) 16e (3/4,1/4,z;mx,my,0) (-1/4,5/4,z+1/2;-my,mx,0) (3/4,-3/4,z+1/2;my,-mx,0) (-1/4,1/4,z;-mx,-my,0) (-3/4,-1/4,-z;mx,my,0) (1/4,-1/4,-z+1/2;-my,mx,0) (1/4,3/4,-z+1/2;my,-mx,0) (5/4,3/4,-z;-mx,-my,0) 16d (0,0,1/2;0,0,0) (0,1/2,1;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,-1/2;0,0,0) 16c (0,0,0;mx,my,mz) (0,1/2,1/2;-my,mx,mz) (1/2,0,1/2;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1;-mx,-my,-mz) (0,1/2,3/2;my,-mx,-mz) (1/2,0,3/2;-my,mx,-mz) (1/2,1/2,1;mx,my,-mz) 8b (1/4,1/4,3/4;0,0,0) (-1/4,3/4,5/4;0,0,0) (-1/4,-1/4,-3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 8a (1/4,1/4,1/4;0,0,mz) (-1/4,3/4,3/4;0,0,mz) (1/4,1/4,5/4;0,0,-mz) (-1/4,3/4,7/4;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|3/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2z|0,1/2,0) (-1|0,0,0) (-4z|1/4,3/4,3/4) (-4z-1|3/4,3/4,3/4) (mz|0,1/2,0) (1|0,0,1/2)' (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2z|0,1/2,1/2)' (-1|1/2,1/2,0)' (-4z|1/4,3/4,1/4)' (-4z-1|3/4,3/4,1/4)' (mz|1/2,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+3/4,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+1/4;my,-mx,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/4,-x+3/4,-z+3/4;-my,mx,mz) (-y+3/4,x+3/4,-z+3/4;my,-mx,mz) (x,y+1/2,-z;-mx,-my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/4,-x+3/4,-z+1/4;my,-mx,-mz) (-y+3/4,x+3/4,-z+1/4;-my,mx,-mz) (x+1/2,y,-z;mx,my,-mz) 16f (0,1/4,z;0,0,mz) (1/2,1/4,z+1/4;0,0,mz) (0,3/4,-z;0,0,mz) (1/2,3/4,-z+3/4;0,0,mz) (0,1/4,z+1/2;0,0,-mz) (0,3/4,z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (1/2,3/4,-z+1/4;0,0,-mz) 16e (1/4,1/2,z;mx,my,0) (1/4,1/2,z+1/4;-my,mx,0) (3/4,0,z+1/4;my,-mx,0) (3/4,0,z;-mx,-my,0) (3/4,1/2,-z;mx,my,0) (3/4,1/2,-z+3/4;-my,mx,0) (1/4,0,-z+3/4;my,-mx,0) (1/4,0,-z;-mx,-my,0) 16d (0,0,3/4;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,0;0,0,0) (0,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (1/4,3/4,0;0,0,0) (3/4,3/4,0;0,0,0) (0,1/2,1/4;0,0,0) 16c (0,0,1/2;mx,my,mz) (3/4,1/4,3/4;-my,mx,mz) (1/4,1/4,3/4;my,-mx,mz) (0,1/2,1/2;-mx,-my,mz) (0,0,0;-mx,-my,-mz) (1/4,3/4,3/4;my,-mx,-mz) (3/4,3/4,3/4;-my,mx,-mz) (0,1/2,0;mx,my,-mz) 8b (0,1/4,7/8;0,0,0) (1/2,1/4,1/8;0,0,0) (0,3/4,1/8;0,0,0) (1/2,3/4,7/8;0,0,0) 8a (0,1/4,5/8;0,0,mz) (1/2,1/4,7/8;0,0,mz) (0,1/4,1/8;0,0,-mz) (0,3/4,7/8;0,0,-mz) ---------- OG: 87.1.733 I4/m UNI: 87.75 I4/m.1 BNS: 87.75 I4/m Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 8f (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,1/4;-my,mx,mz) (1/4,3/4,1/4;my,-mx,mz) (3/4,3/4,1/4;-mx,-my,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 87.2.734 I4/m1' UNI: 87.76 I4/m.1' BNS: 87.76 I4/m1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (x,y,-z;0,0,0) 8h (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (-x,-y,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 87.3.735 I4'/m UNI: 87.77 I4'/m BNS: 87.77 I4'/m Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (0,0,1)+ (1,0,0)+ (1,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;-mx,-my,mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;mx,my,mz) (3/4,1/4,1/4;my,-mx,-mz) (1/4,3/4,1/4;-my,mx,-mz) (3/4,3/4,1/4;-mx,-my,mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 87.4.736 I4/m' UNI: 87.78 I4/m' BNS: 87.78 I4/m' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8h (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (-x,-y,0;-mx,-my,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 87.5.737 I4'/m' UNI: 87.79 I4'/m' BNS: 87.79 I4'/m' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;mx,my,-mz) 8h (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (-x,-y,0;-mx,-my,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 87.6.738 I_P4/m UNI: 83.50 P4/m.1'_I[I4/m] BNS: 83.50 P_I4/m OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1,1/2,-z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,0,-1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (1/2,1,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mz|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 87.7.739 I_P4'/m UNI: 84.58 P4_2/m.1'_I[I4/m] BNS: 84.58 P_I4_2/m OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (0,-1/2,-z;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,1,3/4;0,0,-mz) (-1/2,0,1/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,1,1/2;0,0,-mz) (-1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mz|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mz|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (x,y,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) 8h (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (-x,-y,0;0,0,mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) 8g (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 8f (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4e (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) 4d (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,-mz) (0,0,1/4;0,0,-mz) 4c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,0,1/2;0,0,-mz) (0,0,0;0,0,-mz) 2b (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 87.8.740 I_P4/m' UNI: 85.66 P4/n.1'_I[I4/m] BNS: 85.66 P_I4/n OG-BNS transformation: (-1/4,-1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8h (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;mx,my,mz) (-1/4,1/4,1/4;-my,mx,mz) (1/4,-1/4,1/4;my,-mx,mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (1/4,3/4,3/4;my,-mx,-mz) (3/4,1/4,3/4;-my,mx,-mz) (1/4,1/4,3/4;mx,my,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (-1/2,0,1/4;0,0,mz) (1/2,1,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,3/4;mx,my,0) (-y+1/2,x,3/4;-my,mx,0) (y,-x+1/2,3/4;my,-mx,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,1/4;-my,mx,0) (-y,x+1/2,1/4;my,-mx,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) 8f (1/2,1/2,0;mx,my,mz) (0,1/2,0;-my,mx,mz) (1/2,0,0;my,-mx,mz) (0,0,0;-mx,-my,mz) (0,0,1/2;-mx,-my,-mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (1/2,1/2,1/2;mx,my,-mz) 4e (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) 4d (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 2a (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) ---------- OG: 87.9.741 I_P4'/m' UNI: 86.74 P4_2/n.1'_I[I4/m] BNS: 86.74 P_I4_2/n OG-BNS transformation: (-3/4,-3/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (-1|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (x,y,-z;mx,my,-mz) 8h (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (-x,-y,0;-mx,-my,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) (0,-1/2,-z;0,0,-mz) (1,1/2,-z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;mx,my,mz) (1/4,3/4,3/4;-my,mx,mz) (3/4,1/4,3/4;my,-mx,mz) (-1/4,-1/4,1/4;-mx,-my,mz) (3/4,3/4,3/4;-mx,-my,-mz) (-1/4,1/4,1/4;my,-mx,-mz) (1/4,-1/4,1/4;-my,mx,-mz) (1/4,1/4,3/4;mx,my,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,-1/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2z|1/2,1/2,0) (-1|0,0,0) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mz|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2z|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mz|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (x,y,-z+1/2;mx,my,-mz) 8h (x,y,3/4;mx,my,0) (-y,x+1/2,1/4;-my,mx,0) (y+1/2,-x,1/4;my,-mx,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (-x,-y,1/4;mx,my,0) (y,-x+1/2,3/4;-my,mx,0) (-y+1/2,x,3/4;my,-mx,0) (x+1/2,y+1/2,1/4;-mx,-my,0) 8g (3/4,1/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) 8f (0,0,0;mx,my,mz) (0,1/2,1/2;-my,mx,mz) (1/2,0,1/2;my,-mx,mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-mx,-my,-mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (0,0,1/2;mx,my,-mz) 4e (3/4,3/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4d (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4c (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2b (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2a (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 88.1.742 I4_1/a UNI: 88.81 I4_1/a.1 BNS: 88.81 I4_1/a Operators: (1|0,0,0) (4z|3/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2z|0,1/2,0) (-1|0,0,0) (-4z|1/4,3/4,3/4) (-4z-1|3/4,3/4,3/4) (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-y+3/4,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+1/4;my,-mx,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/4,-x+3/4,-z+3/4;-my,mx,mz) (-y+3/4,x+3/4,-z+3/4;my,-mx,mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,z+1/4;0,0,mz) (0,3/4,-z;0,0,mz) (1/2,3/4,-z+3/4;0,0,mz) 8d (0,0,1/2;mx,my,mz) (3/4,1/4,3/4;-my,mx,mz) (1/4,1/4,3/4;my,-mx,mz) (0,1/2,1/2;-mx,-my,mz) 8c (0,0,0;mx,my,mz) (3/4,1/4,1/4;-my,mx,mz) (1/4,1/4,1/4;my,-mx,mz) (0,1/2,0;-mx,-my,mz) 4b (0,1/4,5/8;0,0,mz) (1/2,1/4,7/8;0,0,mz) 4a (0,1/4,1/8;0,0,mz) (1/2,1/4,3/8;0,0,mz) ---------- OG: 88.2.743 I4_1/a1' UNI: 88.82 I4_1/a.1' BNS: 88.82 I4_1/a1' Operators: (1|0,0,0) (4z|3/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2z|0,1/2,0) (-1|0,0,0) (-4z|1/4,3/4,3/4) (-4z-1|3/4,3/4,3/4) (mz|0,1/2,0) (1|0,0,0)' (4z|3/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2z|0,1/2,0)' (-1|0,0,0)' (-4z|1/4,3/4,3/4)' (-4z-1|3/4,3/4,3/4)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;0,0,0) (-y+3/4,x+1/4,z+1/4;0,0,0) (y+1/4,-x+1/4,z+1/4;0,0,0) (-x,-y+1/2,z;0,0,0) (-x,-y,-z;0,0,0) (y+1/4,-x+3/4,-z+3/4;0,0,0) (-y+3/4,x+3/4,-z+3/4;0,0,0) (x,y+1/2,-z;0,0,0) 8e (0,1/4,z;0,0,0) (1/2,1/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (1/2,3/4,-z+3/4;0,0,0) 8d (0,0,1/2;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,5/8;0,0,0) (1/2,1/4,7/8;0,0,0) 4a (0,1/4,1/8;0,0,0) (1/2,1/4,3/8;0,0,0) ---------- OG: 88.3.744 I4_1'/a UNI: 88.83 I4_1'/a BNS: 88.83 I4_1'/a Operators: (1|0,0,0) (4z|3/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2z|0,1/2,0) (-1|0,0,0) (-4z|1/4,3/4,3/4)' (-4z-1|3/4,3/4,3/4)' (mz|0,1/2,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (0,0,-1)+ (0,1,0)+ (1/2,0,-1/2)+ 16f (x,y,z;mx,my,mz) (-y+3/4,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+1/4;-my,mx,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;mx,my,mz) (y+1/4,-x+3/4,-z+3/4;my,-mx,-mz) (-y+3/4,x+3/4,-z+3/4;-my,mx,-mz) (x,y+1/2,-z;-mx,-my,mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,z+1/4;0,0,-mz) (0,3/4,-z;0,0,mz) (1/2,3/4,-z+3/4;0,0,-mz) 8d (0,0,1/2;mx,my,mz) (3/4,1/4,3/4;my,-mx,-mz) (1/4,1/4,3/4;-my,mx,-mz) (0,1/2,1/2;-mx,-my,mz) 8c (0,0,0;mx,my,mz) (3/4,1/4,1/4;my,-mx,-mz) (1/4,1/4,1/4;-my,mx,-mz) (0,1/2,0;-mx,-my,mz) 4b (0,1/4,5/8;0,0,0) (0,3/4,3/8;0,0,0) 4a (0,1/4,1/8;0,0,0) (0,3/4,7/8;0,0,0) ---------- OG: 88.4.745 I4_1/a' UNI: 88.84 I4_1/a' BNS: 88.84 I4_1/a' Operators: (1|0,0,0) (4z|3/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2z|0,1/2,0) (-1|0,0,0)' (-4z|1/4,3/4,3/4)' (-4z-1|3/4,3/4,3/4)' (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-y+3/4,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+1/4;my,-mx,mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/4,-x+3/4,-z+3/4;my,-mx,-mz) (-y+3/4,x+3/4,-z+3/4;-my,mx,-mz) (x,y+1/2,-z;mx,my,-mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,z+1/4;0,0,mz) (0,3/4,-z;0,0,-mz) (1/2,3/4,-z+3/4;0,0,-mz) 8d (0,0,1/2;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,5/8;0,0,0) (1/2,1/4,7/8;0,0,0) 4a (0,1/4,1/8;0,0,0) (1/2,1/4,3/8;0,0,0) ---------- OG: 88.5.746 I4_1'/a' UNI: 88.85 I4_1'/a' BNS: 88.85 I4_1'/a' Operators: (1|0,0,0) (4z|3/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2z|0,1/2,0) (-1|0,0,0)' (-4z|1/4,3/4,3/4) (-4z-1|3/4,3/4,3/4) (mz|0,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16f (x,y,z;mx,my,mz) (-y+3/4,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+1/4;-my,mx,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/4,-x+3/4,-z+3/4;-my,mx,mz) (-y+3/4,x+3/4,-z+3/4;my,-mx,mz) (x,y+1/2,-z;mx,my,-mz) 8e (0,1/4,z;0,0,mz) (1/2,1/4,z+1/4;0,0,-mz) (0,3/4,-z;0,0,-mz) (1/2,3/4,-z+3/4;0,0,mz) 8d (0,0,1/2;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,5/8;0,0,mz) (1/2,1/4,7/8;0,0,-mz) 4a (0,1/4,1/8;0,0,mz) (1/2,1/4,3/8;0,0,-mz) ---------- OG: 89.1.747 P422 UNI: 89.87 P422.1 BNS: 89.87 P422 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4o (x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) 4n (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) 4m (x,1/2,1/2;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 4l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 4k (x,x,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) 4j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 89.2.748 P4221' UNI: 89.88 P422.1' BNS: 89.88 P4221' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) 4o (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 4n (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 4m (x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 4l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 4k (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 89.3.749 P4'22' UNI: 89.89 P4'22' BNS: 89.89 P4'22' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4o (x,1/2,0;mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) 4n (x,0,1/2;mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) 4m (x,1/2,1/2;mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,1/2;-mx,0,0) 4l (x,0,0;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,0;-mx,0,0) 4k (x,x,1/2;mx,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (x,-x,1/2;mx,mx,-mz) (-x,-x,1/2;-mx,mx,mz) 4j (x,x,0;mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (x,-x,0;mx,mx,-mz) (-x,-x,0;-mx,mx,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 89.4.750 P42'2' UNI: 89.90 P42'2' BNS: 89.90 P42'2' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4o (x,1/2,0;0,my,mz) (1/2,x,0;-my,0,mz) (1/2,-x,0;my,0,mz) (-x,1/2,0;0,-my,mz) 4n (x,0,1/2;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (-x,0,1/2;0,-my,mz) 4m (x,1/2,1/2;0,my,mz) (1/2,x,1/2;-my,0,mz) (1/2,-x,1/2;my,0,mz) (-x,1/2,1/2;0,-my,mz) 4l (x,0,0;0,my,mz) (0,x,0;-my,0,mz) (0,-x,0;my,0,mz) (-x,0,0;0,-my,mz) 4k (x,x,1/2;mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (x,-x,1/2;-mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) 4j (x,x,0;mx,-mx,mz) (-x,x,0;mx,mx,mz) (x,-x,0;-mx,-mx,mz) (-x,-x,0;-mx,mx,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2f (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 2e (1/2,0,0;0,0,mz) (0,1/2,0;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 89.5.751 P4'2'2 UNI: 89.91 P4'2'2 BNS: 89.91 P4'2'2 Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4o (x,1/2,0;0,my,mz) (1/2,x,0;my,0,-mz) (1/2,-x,0;-my,0,-mz) (-x,1/2,0;0,-my,mz) 4n (x,0,1/2;0,my,mz) (0,x,1/2;my,0,-mz) (0,-x,1/2;-my,0,-mz) (-x,0,1/2;0,-my,mz) 4m (x,1/2,1/2;0,my,mz) (1/2,x,1/2;my,0,-mz) (1/2,-x,1/2;-my,0,-mz) (-x,1/2,1/2;0,-my,mz) 4l (x,0,0;0,my,mz) (0,x,0;my,0,-mz) (0,-x,0;-my,0,-mz) (-x,0,0;0,-my,mz) 4k (x,x,1/2;mx,mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) 4j (x,x,0;mx,mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2e (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 89.6.752 P_2c422 UNI: 89.92 P422.1'_c[P422] BNS: 89.92 P_c422 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 8o (x,1/2,0;mx,0,0) (-1/2,x,0;0,mx,0) (-1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (x,1/2,1;-mx,0,0) (-1/2,x,1;0,-mx,0) (-1/2,-x,1;0,mx,0) (-x,1/2,1;mx,0,0) 8n (x,0,1/2;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,x,-1/2;my,0,-mz) (0,-x,-1/2;-my,0,-mz) 8m (x,1/2,1/2;0,my,mz) (-1/2,x,1/2;-my,0,mz) (1/2,-x,1/2;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,x,-1/2;my,0,-mz) (-1/2,-x,-1/2;-my,0,-mz) 8l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (0,-x,1;0,mx,0) (-x,0,1;mx,0,0) 8k (x,x,1/2;mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (x,-x,1/2;-mx,-mx,mz) (x,-x,-1/2;mx,mx,-mz) (-x,x,-1/2;-mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) 8j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x,x,1;mx,-mx,0) (x,-x,1;-mx,mx,0) (-x,-x,1;mx,mx,0) 8i (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (-1/2,0,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) (-1/2,0,-z+1;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1;0,0,-mz) (1/2,-1/2,-z+1;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 4f (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,-1/2,-1/2;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,-1/2,0;0,0,0) (1/2,0,1;0,0,0) (0,-1/2,1;0,0,0) 2d (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 8o (x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,1/2;mx,0,0) 8n (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,3/4;my,0,-mz) (0,-x,3/4;-my,0,-mz) 8m (x,1/2,1/4;0,my,mz) (1/2,x,1/4;-my,0,mz) (1/2,-x,1/4;my,0,mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,3/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (1/2,x,3/4;my,0,-mz) (1/2,-x,3/4;-my,0,-mz) 8l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,1/2;mx,0,0) 8k (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x,-x,3/4;mx,mx,-mz) (-x,x,3/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) 8j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 4f (1/2,0,1/4;0,0,mz) (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2d (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 89.7.753 P_P422 UNI: 89.93 P422.1'_C[rP422] BNS: 89.93 P_C422 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) 8o (x,1/2,0;0,my,mz) (-1/2,x,0;-my,0,mz) (1/2,-x,0;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,x,0;my,0,-mz) (-1/2,-x,0;-my,0,-mz) 8n (x,0,1/2;mx,0,0) (0,x,-1/2;0,mx,0) (0,-x,-1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (1,x,-1/2;0,-mx,0) (1,-x,-1/2;0,mx,0) (-x+1,0,1/2;mx,0,0) 8m (x,1/2,1/2;0,my,mz) (-1/2,x,1/2;-my,0,mz) (1/2,-x,1/2;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,x,-1/2;my,0,-mz) (-1/2,-x,-1/2;-my,0,-mz) 8l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (1,x,0;0,-mx,0) (1,-x,0;0,mx,0) (-x+1,0,0;mx,0,0) 8k (x,x,1/2;mx,mx,0) (-x,x,-1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,-1/2;-mx,-mx,0) (x+1,x,1/2;-mx,-mx,0) (-x+1,x,-1/2;mx,-mx,0) (x+1,-x,1/2;-mx,mx,0) (-x+1,-x,-1/2;mx,mx,0) 8j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1,x,0;-mx,-mx,0) (-x+1,x,0;mx,-mx,0) (x+1,-x,0;-mx,mx,0) (-x+1,-x,0;mx,mx,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;my,mx,0) (-1/2,0,-z;-my,-mx,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (-1/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z;0,0,mz) 4f (1/2,0,1/2;mx,0,0) (0,1/2,-1/2;0,mx,0) (0,-1/2,-1/2;0,-mx,0) (-1/2,0,1/2;-mx,0,0) 4e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (0,-1/2,0;0,-mx,0) (-1/2,0,0;-mx,0,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2b (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|1/2,1/2,0)' (2x|1/2,1/2,0)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) 8o (x,x+1/2,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x+1/2,-x,0;-mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (-x,x+1/2,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) 8n (x,x,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8m (x,x+1/2,1/2;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x+1/2,-x,1/2;-mx,-mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,-mz) (x,-x+1/2,1/2;mx,mx,-mz) 8l (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) 8k (0,y,1/2;0,my,0) (-y,0,1/2;-my,0,0) (y,0,1/2;my,0,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (-y+1/2,1/2,1/2;my,0,0) (y+1/2,1/2,1/2;-my,0,0) (1/2,-y+1/2,1/2;0,my,0) 8j (0,y,0;0,my,0) (-y,0,0;-my,0,0) (y,0,0;my,0,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (-y+1/2,1/2,0;my,0,0) (y+1/2,1/2,0;-my,0,0) (1/2,-y+1/2,0;0,my,0) 8i (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,-my,0) 4h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4f (1/4,1/4,1/2;mx,mx,0) (3/4,1/4,1/2;-mx,mx,0) (1/4,3/4,1/2;mx,-mx,0) (3/4,3/4,1/2;-mx,-mx,0) 4e (1/4,1/4,0;mx,mx,0) (3/4,1/4,0;-mx,mx,0) (1/4,3/4,0;mx,-mx,0) (3/4,3/4,0;-mx,-mx,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 89.8.754 P_I422 UNI: 97.156 I422.1'_c[rP422] BNS: 97.156 I_c422 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 16o (x,1/2,0;0,my,mz) (-1/2,x,0;-my,0,mz) (1/2,-x,0;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,x,0;my,0,-mz) (-1/2,-x,0;-my,0,-mz) 16n (x,0,1/2;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,x,-1/2;my,0,-mz) (0,-x,-1/2;-my,0,-mz) 16m (x,1/2,1/2;mx,0,0) (1/2,x,-1/2;0,mx,0) (-1/2,-x,-1/2;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (x,1/2,3/2;-mx,0,0) (1/2,x,1/2;0,-mx,0) (-1/2,-x,1/2;0,mx,0) (-x,-1/2,3/2;mx,0,0) 16l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (0,-x,1;0,mx,0) (-x,0,1;mx,0,0) 16k (x,x,1/2;mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (x,-x,1/2;-mx,-mx,mz) (x,-x,-1/2;mx,mx,-mz) (-x,x,-1/2;-mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) 16j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x,x,1;mx,-mx,0) (x,-x,1;-mx,mx,0) (-x,-x,1;mx,mx,0) 16i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;my,mx,0) (-1/2,0,-z;-my,-mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (-1/2,-1/2,-z;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 8f (1/2,0,1/2;0,my,0) (0,-1/2,-1/2;-my,0,0) (0,1/2,-1/2;my,0,0) (-1/2,0,1/2;0,-my,0) 8e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (0,-1/2,0;0,-mx,0) (-1/2,0,0;-mx,0,0) 4d (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|0,0,1/2)' (2y|0,0,1/2)' (2x|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32p (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) 16o (x,x+1/2,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x+1/2,-x,0;-mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (-x,x+1/2,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) 16n (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,x,3/4;-mx,-mx,-mz) (x,-x,3/4;mx,mx,-mz) 16m (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,-x+1/2,3/4;mx,mx,0) 16l (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 16k (0,y,1/4;mx,0,mz) (-y,0,1/4;0,mx,mz) (y,0,1/4;0,-mx,mz) (y,0,3/4;0,mx,-mz) (-y,0,3/4;0,-mx,-mz) (0,-y,1/4;-mx,0,mz) (0,y,3/4;-mx,0,-mz) (0,-y,3/4;mx,0,-mz) 16j (0,y,0;0,my,0) (-y,0,0;-my,0,0) (y,0,0;my,0,0) (0,-y,0;0,-my,0) (0,y,1/2;0,-my,0) (-y,0,1/2;my,0,0) (y,0,1/2;-my,0,0) (0,-y,1/2;0,my,0) 16i (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,-my,0) 8h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 8f (1/4,1/4,1/4;mx,-mx,0) (1/4,3/4,3/4;mx,mx,0) (3/4,1/4,3/4;-mx,-mx,0) (3/4,3/4,1/4;-mx,mx,0) 8e (1/4,1/4,0;mx,mx,0) (3/4,1/4,0;-mx,mx,0) (1/4,3/4,0;mx,-mx,0) (3/4,3/4,0;-mx,-mx,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 89.9.755 P_2c4'22' UNI: 93.124 P4_222.1'_c[P422] BNS: 93.124 P_c4_222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1) (2-xy|0,0,1) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8o (x,1/2,0;mx,0,0) (-1/2,x,1;0,mx,0) (-1/2,-x,1;0,-mx,0) (-x,1/2,0;-mx,0,0) (x,1/2,1;-mx,0,0) (-1/2,x,0;0,-mx,0) (-1/2,-x,0;0,mx,0) (-x,1/2,1;mx,0,0) 8n (x,0,1/2;0,my,mz) (0,x,3/2;-my,0,mz) (0,-x,3/2;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,x,1/2;my,0,-mz) (0,-x,1/2;-my,0,-mz) 8m (x,1/2,1/2;0,my,mz) (-1/2,x,3/2;-my,0,mz) (1/2,-x,3/2;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,x,1/2;my,0,-mz) (-1/2,-x,1/2;-my,0,-mz) 8l (x,0,0;mx,0,0) (0,x,1;0,mx,0) (0,-x,1;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1;-mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,1;mx,0,0) 8k (x,x,1/2;mx,mx,0) (-x,x,-1/2;-mx,mx,0) (x,-x,-1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,3/2;mx,mx,0) 8j (x,x,0;mx,-mx,mz) (-x,x,1;mx,mx,mz) (x,-x,1;-mx,-mx,mz) (x,-x,0;mx,mx,-mz) (-x,x,0;-mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x,-x,1;mx,-mx,-mz) 8i (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (0,-1/2,-z;0,0,-mz) (-1/2,0,-z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z;0,0,-mz) (0,-1/2,-z+1;0,0,mz) (-1/2,0,-z;0,0,mz) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) (1/2,-1/2,-z;0,0,0) (-1/2,-1/2,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) 4f (1/2,0,1/2;0,0,mz) (0,1/2,3/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,-1/2,1/2;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,-1/2,1;0,0,0) (1/2,0,1;0,0,0) (0,-1/2,0;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,-1/2,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8o (x,1/2,0;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (x,1/2,1/2;-mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,1/2;mx,0,0) 8n (x,0,1/4;0,my,mz) (0,x,3/4;-my,0,mz) (0,-x,3/4;my,0,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) 8m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;-my,0,mz) (1/2,-x,3/4;my,0,mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,3/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (1/2,x,1/4;my,0,-mz) (1/2,-x,1/4;-my,0,-mz) 8l (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,1/2;mx,0,0) 8k (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (x,x,3/4;-mx,-mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,3/4;mx,mx,0) 8j (x,x,0;mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (x,-x,1/2;-mx,-mx,mz) (x,-x,0;mx,mx,-mz) (-x,x,0;-mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x,x,1/2;-mx,mx,-mz) (-x,-x,1/2;mx,-mx,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4f (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,1/4;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 89.10.756 P_P4'22' UNI: 90.101 P42_12.1'_C[rP422] BNS: 90.101 P_C42_12 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8o (x,1/2,0;0,my,mz) (1/2,x,0;-my,0,mz) (3/2,-x,0;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (3/2,x,0;my,0,-mz) (1/2,-x,0;-my,0,-mz) 8n (x,0,1/2;mx,0,0) (1,x,-1/2;0,mx,0) (1,-x,-1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (0,x,-1/2;0,-mx,0) (0,-x,-1/2;0,mx,0) (-x+1,0,1/2;mx,0,0) 8m (x,1/2,1/2;0,my,mz) (1/2,x,1/2;-my,0,mz) (3/2,-x,1/2;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (3/2,x,-1/2;my,0,-mz) (1/2,-x,-1/2;-my,0,-mz) 8l (x,0,0;mx,0,0) (1,x,0;0,mx,0) (1,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x+1,0,0;mx,0,0) 8k (x,x,1/2;mx,-mx,mz) (-x+1,x,1/2;mx,mx,mz) (x+1,-x,1/2;-mx,-mx,mz) (x,-x,-1/2;mx,mx,-mz) (-x,x,-1/2;-mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x+1,x,-1/2;-mx,mx,-mz) (-x+1,-x,-1/2;mx,-mx,-mz) 8j (x,x,0;mx,-mx,mz) (-x+1,x,0;mx,mx,mz) (x+1,-x,0;-mx,-mx,mz) (x,-x,0;mx,mx,-mz) (-x,x,0;-mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x+1,x,0;-mx,mx,-mz) (-x+1,-x,0;mx,-mx,-mz) 8i (0,1/2,z;mx,my,0) (1/2,0,z;-my,mx,0) (3/2,0,z;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z;my,mx,0) (1/2,0,-z;-my,-mx,0) 4h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,1/2,z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) 4g (0,0,z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,-z;0,0,0) 4f (1/2,0,1/2;mx,0,0) (1,1/2,-1/2;0,mx,0) (1,-1/2,-1/2;0,-mx,0) (-1/2,0,1/2;-mx,0,0) 4e (1/2,0,0;mx,0,0) (1,1/2,0;0,mx,0) (1,-1/2,0;0,-mx,0) (-1/2,0,0;-mx,0,0) 2d (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|1/2,1/2,0) (2x|1/2,1/2,0) (1|1/2,1/2,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|0,0,0)' (2x|0,0,0)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) 8o (x,x+1/2,0;mx,-mx,mz) (-x,x+1/2,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x+1/2,-x,0;mx,mx,-mz) 8n (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8m (x,x+1/2,1/2;mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x+1/2,-x,1/2;mx,mx,-mz) 8l (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) 8k (0,y,1/2;mx,0,mz) (-y+1/2,1/2,1/2;0,mx,mz) (y+1/2,1/2,1/2;0,-mx,mz) (y,0,1/2;0,mx,-mz) (-y,0,1/2;0,-mx,-mz) (0,-y,1/2;-mx,0,mz) (1/2,y+1/2,1/2;-mx,0,-mz) (1/2,-y+1/2,1/2;mx,0,-mz) 8j (0,y,0;mx,0,mz) (-y+1/2,1/2,0;0,mx,mz) (y+1/2,1/2,0;0,-mx,mz) (y,0,0;0,mx,-mz) (-y,0,0;0,-mx,-mz) (0,-y,0;-mx,0,mz) (1/2,y+1/2,0;-mx,0,-mz) (1/2,-y+1/2,0;mx,0,-mz) 8i (3/4,1/4,z;mx,my,0) (1/4,1/4,z;-my,mx,0) (3/4,3/4,z;my,-mx,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,3/4,-z;-mx,my,0) (1/4,1/4,-z;mx,-my,0) 4h (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) 4g (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z;0,0,0) 4f (1/4,1/4,1/2;mx,mx,0) (1/4,3/4,1/2;-mx,mx,0) (3/4,1/4,1/2;mx,-mx,0) (3/4,3/4,1/2;-mx,-mx,0) 4e (1/4,1/4,0;mx,mx,0) (1/4,3/4,0;-mx,mx,0) (3/4,1/4,0;mx,-mx,0) (3/4,3/4,0;-mx,-mx,0) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 90.1.757 P42_12 UNI: 90.95 P42_12.1 BNS: 90.95 P42_12 Operators: (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) 4e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) 2c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 90.2.758 P42_121' UNI: 90.96 P42_12.1' BNS: 90.96 P42_121' Operators: (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (-y+1/2,x+1/2,z;0,0,0) (y+1/2,-x+1/2,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) 4f (x,x,1/2;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4e (x,x,0;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x,-x,0;0,0,0) 4d (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 90.3.759 P4'2_12' UNI: 90.97 P4'2_12' BNS: 90.97 P4'2_12' Operators: (1|0,0,0) (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x,-x,1/2;-mx,mx,mz) 4e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,-mz) (x+1/2,-x+1/2,0;mx,mx,-mz) (-x,-x,0;-mx,mx,mz) 4d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 90.4.760 P42_1'2' UNI: 90.98 P42_1'2' BNS: 90.98 P42_1'2' Operators: (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) 4e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,0;mx,mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (-x,-x,0;-mx,mx,mz) 4d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- OG: 90.5.761 P4'2_1'2 UNI: 90.99 P4'2_1'2 BNS: 90.99 P4'2_1'2 Operators: (1|0,0,0) (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) 4e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 90.6.762 P_2c42_12 UNI: 90.100 P42_12.1'_c[P42_12] BNS: 90.100 P_c42_12 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1)' (4z|1/2,1/2,1)' (4z-1|1/2,1/2,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z+1;my,-mx,-mz) (y+1/2,-x+1/2,z+1;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 8f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,-x+1/2,-1/2;mx,mx,-mz) (-x+1/2,x+1/2,-1/2;-mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) 8e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x+1/2,x+1/2,1;mx,-mx,0) (x+1/2,-x+1/2,1;-mx,mx,0) (-x,-x,1;mx,mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) 4b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) (0,0,-1/2;0,0,-mz) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 8f (x,x,1/4;mx,-mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,mz) (x+1/2,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) 8e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4b (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,3/4;0,0,-mz) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 90.7.763 P_2c4'2_1'2 UNI: 94.132 P4_22_12.1'_c[P42_12] BNS: 94.132 P_c4_22_12 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1) (4z-1|1/2,1/2,1) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1;-my,mx,mz) (y+1/2,-x+1/2,z+1;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 8f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,3/2;mx,mx,mz) (x+1/2,-x+1/2,3/2;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) 8e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1;-mx,mx,0) (x+1/2,-x+1/2,1;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x,-x,1;mx,mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1;0,0,mz) 4c (0,1/2,z;0,0,0) (0,1/2,z+1;0,0,0) (1/2,0,-z+1;0,0,0) (-1/2,0,-z;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,1/2,3/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,-1/2;0,0,-mz) 4a (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 8f (x,x,1/4;mx,-mx,mz) (-x+1/2,x+1/2,3/4;mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x+1/2,1/4;mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) 8e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 4c (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) 4b (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,3/4;0,0,-mz) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 91.1.764 P4_122 UNI: 91.103 P4_122.1 BNS: 91.103 P4_122 Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,3/4) (2-xy|0,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+3/4;my,mx,-mz) (-y,-x,-z+1/4;-my,-mx,-mz) 4c (x,x,3/8;mx,mx,0) (-x,x,5/8;-mx,mx,0) (x,-x,1/8;mx,-mx,0) (-x,-x,7/8;-mx,-mx,0) 4b (1/2,y,0;0,my,0) (-y,1/2,1/4;-my,0,0) (y,1/2,3/4;my,0,0) (1/2,-y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (-y,0,1/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,1/2;0,-my,0) ---------- OG: 91.2.765 P4_1221' UNI: 91.104 P4_122.1' BNS: 91.104 P4_1221' Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,3/4) (2-xy|0,0,1/4) (1|0,0,0)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2)' (2xy|0,0,3/4)' (2-xy|0,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (-y,x,z+1/4;0,0,0) (y,-x,z+3/4;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z+1/2;0,0,0) (y,x,-z+3/4;0,0,0) (-y,-x,-z+1/4;0,0,0) 4c (x,x,3/8;0,0,0) (-x,x,5/8;0,0,0) (x,-x,1/8;0,0,0) (-x,-x,7/8;0,0,0) 4b (1/2,y,0;0,0,0) (-y,1/2,1/4;0,0,0) (y,1/2,3/4;0,0,0) (1/2,-y,1/2;0,0,0) 4a (0,y,0;0,0,0) (-y,0,1/4;0,0,0) (y,0,3/4;0,0,0) (0,-y,1/2;0,0,0) ---------- OG: 91.3.766 P4_1'22' UNI: 91.105 P4_1'22' BNS: 91.105 P4_1'22' Operators: (1|0,0,0) (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,3/4)' (2-xy|0,0,1/4)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+3/4;-my,-mx,mz) (-y,-x,-z+1/4;my,mx,mz) 4c (x,x,3/8;mx,-mx,mz) (-x,x,5/8;-mx,-mx,-mz) (x,-x,1/8;mx,mx,-mz) (-x,-x,7/8;-mx,mx,mz) 4b (1/2,y,0;0,my,0) (-y,1/2,1/4;my,0,0) (y,1/2,3/4;-my,0,0) (1/2,-y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (-y,0,1/4;my,0,0) (y,0,3/4;-my,0,0) (0,-y,1/2;0,-my,0) ---------- OG: 91.4.767 P4_12'2' UNI: 91.106 P4_12'2' BNS: 91.106 P4_12'2' Operators: (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2) (2xy|0,0,3/4)' (2-xy|0,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+3/4;-my,-mx,mz) (-y,-x,-z+1/4;my,mx,mz) 4c (x,x,3/8;mx,-mx,mz) (-x,x,5/8;mx,mx,mz) (x,-x,1/8;-mx,-mx,mz) (-x,-x,7/8;-mx,mx,mz) 4b (1/2,y,0;mx,0,mz) (-y,1/2,1/4;0,mx,mz) (y,1/2,3/4;0,-mx,mz) (1/2,-y,1/2;-mx,0,mz) 4a (0,y,0;mx,0,mz) (-y,0,1/4;0,mx,mz) (y,0,3/4;0,-mx,mz) (0,-y,1/2;-mx,0,mz) ---------- OG: 91.5.768 P4_1'2'2 UNI: 91.107 P4_1'2'2 BNS: 91.107 P4_1'2'2 Operators: (1|0,0,0) (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2) (2xy|0,0,3/4) (2-xy|0,0,1/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+3/4;my,mx,-mz) (-y,-x,-z+1/4;-my,-mx,-mz) 4c (x,x,3/8;mx,mx,0) (-x,x,5/8;mx,-mx,0) (x,-x,1/8;-mx,mx,0) (-x,-x,7/8;-mx,-mx,0) 4b (1/2,y,0;mx,0,mz) (-y,1/2,1/4;0,-mx,-mz) (y,1/2,3/4;0,mx,-mz) (1/2,-y,1/2;-mx,0,mz) 4a (0,y,0;mx,0,mz) (-y,0,1/4;0,-mx,-mz) (y,0,3/4;0,mx,-mz) (0,-y,1/2;-mx,0,mz) ---------- OG: 91.6.769 P_P4_122 UNI: 91.109 P4_122.1'_C[rP4_122] BNS: 91.109 P_C4_122 OG-BNS transformation: (0,0,3/8;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,3/4) (2-xy|0,0,1/4) (1|1,0,0)' (4z|1,0,1/4)' (4z-1|1,0,3/4)' (2x|1,0,1/2)' (2y|1,0,0)' (2z|1,0,1/2)' (2xy|1,0,3/4)' (2-xy|1,0,1/4)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+3/4;my,mx,-mz) (-y,-x,-z+1/4;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/4;my,-mx,-mz) (y+1,-x,z+3/4;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (y+1,x,-z+3/4;-my,-mx,mz) (-y+1,-x,-z+1/4;my,mx,mz) 8c (x,x,3/8;mx,mx,0) (-x,x,-3/8;-mx,mx,0) (x,-x,9/8;mx,-mx,0) (-x,-x,-1/8;-mx,-mx,0) (x+1,x,3/8;-mx,-mx,0) (-x+1,x,-3/8;mx,-mx,0) (x+1,-x,9/8;-mx,mx,0) (-x+1,-x,-1/8;mx,mx,0) 8b (1/2,y,0;mx,0,mz) (-y,1/2,1/4;0,mx,mz) (y,-1/2,3/4;0,-mx,mz) (1/2,-y,1/2;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) (y,1/2,3/4;0,mx,-mz) (-y,-1/2,1/4;0,-mx,-mz) 8a (0,y,0;0,my,0) (-y,0,1/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,1/2;0,-my,0) (1,y,0;0,-my,0) (-y+1,0,1/4;my,0,0) (y+1,0,3/4;-my,0,0) (1,-y,1/2;0,my,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2xy|0,0,3/4) (2-xy|0,0,1/4) (2z|0,0,1/2) (2y|0,0,0) (2x|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2xy|1/2,1/2,3/4)' (2-xy|1/2,1/2,1/4)' (2z|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (2x|1/2,1/2,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (y,x,-z+3/4;my,mx,-mz) (-y,-x,-z+1/4;-my,-mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (y+1/2,x+1/2,-z+3/4;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/4;my,mx,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) 8c (0,y,0;0,my,0) (-y,0,1/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,0;0,-my,0) (-y+1/2,1/2,1/4;my,0,0) (y+1/2,1/2,3/4;-my,0,0) (1/2,-y+1/2,1/2;0,my,0) 8b (x,-x+1/2,5/8;mx,mx,mz) (x+1/2,x,7/8;-mx,mx,mz) (-x+1/2,-x,3/8;mx,-mx,mz) (-x+1/2,x,1/8;mx,mx,-mz) (x+1/2,-x,5/8;-mx,-mx,-mz) (-x,x+1/2,1/8;-mx,-mx,mz) (-x,-x+1/2,3/8;-mx,mx,-mz) (x,x+1/2,7/8;mx,-mx,-mz) 8a (x,-x,5/8;mx,-mx,0) (x,x,7/8;mx,mx,0) (-x,-x,3/8;-mx,-mx,0) (-x,x,1/8;-mx,mx,0) (x+1/2,-x+1/2,5/8;-mx,mx,0) (x+1/2,x+1/2,7/8;-mx,-mx,0) (-x+1/2,-x+1/2,3/8;mx,mx,0) (-x+1/2,x+1/2,1/8;mx,-mx,0) ---------- OG: 91.7.770 P_P4_1'22' UNI: 92.117 P4_12_12.1'_C[rP4_122] BNS: 92.117 P_C4_12_12 OG-BNS transformation: (0,0,1/4;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/4) (4z-1|1,0,3/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|1,0,3/4) (2-xy|1,0,1/4) (1|1,0,0)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2x|1,0,1/2)' (2y|1,0,0)' (2z|1,0,1/2)' (2xy|0,0,3/4)' (2-xy|0,0,1/4)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y+1,x,z+1/4;-my,mx,mz) (y+1,-x,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y+1,x,-z+3/4;my,mx,-mz) (-y+1,-x,-z+1/4;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (y,x,-z+3/4;-my,-mx,mz) (-y,-x,-z+1/4;my,mx,mz) 8c (x,x,3/8;mx,-mx,mz) (-x+1,x,5/8;mx,mx,mz) (x+1,-x,9/8;-mx,-mx,mz) (x,-x,1/8;mx,mx,-mz) (-x,x,-3/8;-mx,-mx,-mz) (-x,-x,7/8;-mx,mx,mz) (x+1,x,3/8;-mx,mx,-mz) (-x+1,-x,-1/8;mx,-mx,-mz) 8b (1/2,y,0;mx,0,mz) (-y+1,1/2,1/4;0,mx,mz) (y+1,-1/2,3/4;0,-mx,mz) (1/2,-y,1/2;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) (y+1,1/2,3/4;0,mx,-mz) (-y+1,-1/2,1/4;0,-mx,-mz) 8a (0,y,0;0,my,0) (-y+1,0,1/4;-my,0,0) (y+1,0,3/4;my,0,0) (0,-y,1/2;0,-my,0) (1,y,0;0,-my,0) (-y,0,1/4;my,0,0) (y,0,3/4;-my,0,0) (1,-y,1/2;0,my,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2xy|0,0,0) (2-xy|0,0,1/2) (2z|0,0,1/2) (2y|1/2,1/2,1/4) (2x|1/2,1/2,3/4) (1|1/2,1/2,0)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2y|0,0,1/4)' (2x|0,0,3/4)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1/2,z+3/4;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/4;-mx,my,-mz) (x+1/2,-y+1/2,-z+3/4;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,-z+1/4;mx,-my,mz) (x,-y,-z+3/4;-mx,my,mz) 8c (0,y,1/8;mx,0,mz) (-y+1/2,1/2,3/8;0,mx,mz) (y+1/2,1/2,7/8;0,-mx,mz) (y,0,7/8;0,mx,-mz) (-y,0,3/8;0,-mx,-mz) (0,-y,5/8;-mx,0,mz) (1/2,y+1/2,1/8;-mx,0,-mz) (1/2,-y+1/2,5/8;mx,0,-mz) 8b (x,-x+1/2,3/4;mx,mx,mz) (x,x+1/2,0;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,1/2;-mx,mx,-mz) (x+1/2,x,0;mx,-mx,-mz) 8a (x,-x,3/4;mx,-mx,0) (x+1/2,x+1/2,0;mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,x,1/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (x,x,0;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) ---------- OG: 92.1.771 P4_12_12 UNI: 92.111 P4_12_12.1 BNS: 92.111 P4_12_12 Operators: (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2x|1/2,1/2,3/4) (2y|1/2,1/2,1/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1/2,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z+3/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4a (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) ---------- OG: 92.2.772 P4_12_121' UNI: 92.112 P4_12_12.1' BNS: 92.112 P4_12_121' Operators: (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2x|1/2,1/2,3/4) (2y|1/2,1/2,1/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) (1|0,0,0)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2x|1/2,1/2,3/4)' (2y|1/2,1/2,1/4)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;0,0,0) (-y+1/2,x+1/2,z+1/4;0,0,0) (y+1/2,-x+1/2,z+3/4;0,0,0) (x+1/2,-y+1/2,-z+3/4;0,0,0) (-x+1/2,y+1/2,-z+1/4;0,0,0) (-x,-y,z+1/2;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z+1/2;0,0,0) 4a (x,x,0;0,0,0) (-x+1/2,x+1/2,1/4;0,0,0) (x+1/2,-x+1/2,3/4;0,0,0) (-x,-x,1/2;0,0,0) ---------- OG: 92.3.773 P4_1'2_12' UNI: 92.113 P4_1'2_12' BNS: 92.113 P4_1'2_12' Operators: (1|0,0,0) (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2x|1/2,1/2,3/4) (2y|1/2,1/2,1/4) (2z|0,0,1/2) (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (-1,0,0)+ (0,0,1)+ (0,1,0)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (x+1/2,-y+1/2,-z+3/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4a (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,-mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x,-x,1/2;-mx,mx,mz) ---------- OG: 92.4.774 P4_12_1'2' UNI: 92.114 P4_12_1'2' BNS: 92.114 P4_12_1'2' Operators: (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2x|1/2,1/2,3/4)' (2y|1/2,1/2,1/4)' (2z|0,0,1/2) (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1/2,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z+3/4;-mx,my,mz) (-x+1/2,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4a (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) ---------- OG: 92.5.775 P4_1'2_1'2 UNI: 92.115 P4_1'2_1'2 BNS: 92.115 P4_1'2_1'2 Operators: (1|0,0,0) (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2x|1/2,1/2,3/4)' (2y|1/2,1/2,1/4)' (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (x+1/2,-y+1/2,-z+3/4;-mx,my,mz) (-x+1/2,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4a (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) ---------- OG: 93.1.776 P4_222 UNI: 93.119 P4_222.1 BNS: 93.119 P4_222 Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4o (x,x,3/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) 4n (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) 4m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) 4l (x,0,1/2;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,1/2;-mx,0,0) 4k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 4j (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 93.2.777 P4_2221' UNI: 93.120 P4_222.1' BNS: 93.120 P4_2221' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) 4o (x,x,3/4;0,0,0) (-x,x,1/4;0,0,0) (x,-x,1/4;0,0,0) (-x,-x,3/4;0,0,0) 4n (x,x,1/4;0,0,0) (-x,x,3/4;0,0,0) (x,-x,3/4;0,0,0) (-x,-x,1/4;0,0,0) 4m (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) 4l (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) 4k (x,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,1/2;0,0,0) 4j (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 93.3.778 P4_2'22' UNI: 93.121 P4_2'22' BNS: 93.121 P4_2'22' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4o (x,x,3/4;mx,-mx,mz) (-x,x,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x,3/4;-mx,mx,mz) 4n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (x,-x,3/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) 4m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,0;-mx,0,0) 4l (x,0,1/2;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,1/2;-mx,0,0) 4k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,1/2;-mx,0,0) 4j (x,0,0;mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;-mx,0,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 93.4.779 P4_22'2' UNI: 93.122 P4_22'2' BNS: 93.122 P4_22'2' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4o (x,x,3/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (-x,-x,3/4;-mx,mx,mz) 4n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) 4m (x,1/2,0;0,my,mz) (1/2,x,1/2;-my,0,mz) (1/2,-x,1/2;my,0,mz) (-x,1/2,0;0,-my,mz) 4l (x,0,1/2;0,my,mz) (0,x,0;-my,0,mz) (0,-x,0;my,0,mz) (-x,0,1/2;0,-my,mz) 4k (x,1/2,1/2;0,my,mz) (1/2,x,0;-my,0,mz) (1/2,-x,0;my,0,mz) (-x,1/2,1/2;0,-my,mz) 4j (x,0,0;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (-x,0,0;0,-my,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 93.5.780 P4_2'2'2 UNI: 93.123 P4_2'2'2 BNS: 93.123 P4_2'2'2 Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4o (x,x,3/4;mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,3/4;-mx,-mx,0) 4n (x,x,1/4;mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) 4m (x,1/2,0;0,my,mz) (1/2,x,1/2;my,0,-mz) (1/2,-x,1/2;-my,0,-mz) (-x,1/2,0;0,-my,mz) 4l (x,0,1/2;0,my,mz) (0,x,0;my,0,-mz) (0,-x,0;-my,0,-mz) (-x,0,1/2;0,-my,mz) 4k (x,1/2,1/2;0,my,mz) (1/2,x,0;my,0,-mz) (1/2,-x,0;-my,0,-mz) (-x,1/2,1/2;0,-my,mz) 4j (x,0,0;0,my,mz) (0,x,1/2;my,0,-mz) (0,-x,1/2;-my,0,-mz) (-x,0,0;0,-my,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 93.6.781 P_2c4_222' UNI: 91.108 P4_122.1'_c[P4_222] BNS: 91.108 P_c4_122 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (2xy|0,0,1/2) (2-xy|0,0,3/2) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,3/2)' (2-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+3/2;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z+3/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 8o (x,x,3/4;mx,-mx,mz) (-x,x,5/4;mx,mx,mz) (x,-x,9/4;-mx,-mx,mz) (x,-x,-3/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) (-x,-x,7/4;-mx,mx,mz) (x,x,-1/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) 8n (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,-1/4;mx,-mx,0) (-x,-x,5/4;-mx,-mx,0) (x,x,5/4;-mx,-mx,0) (-x,x,-1/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,-x,1/4;mx,mx,0) 8m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,3/2;0,-mx,0) (-x,1/2,1;-mx,0,0) (x,1/2,1;-mx,0,0) (1/2,x,3/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,0;mx,0,0) 8l (x,0,1/2;0,my,mz) (0,x,1;-my,0,mz) (0,-x,2;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) (0,x,0;my,0,-mz) (0,-x,1;-my,0,-mz) 8k (x,1/2,1/2;0,my,mz) (-1/2,x,1;-my,0,mz) (1/2,-x,2;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,3/2;0,-my,mz) (1/2,x,0;my,0,-mz) (-1/2,-x,1;-my,0,-mz) 8j (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,3/2;0,-mx,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (0,x,3/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;mx,0,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+3/2;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,0,-z+1/2;my,mx,0) (-1/2,0,-z+3/2;-my,-mx,0) 8h (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z+1;-mx,my,0) (-1/2,-1/2,z+1;-mx,-my,0) (1/2,1/2,-z+1/2;my,mx,0) (-1/2,-1/2,-z+3/2;-my,-mx,0) 8g (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+1/2;my,mx,0) (0,0,-z+3/2;-my,-mx,0) 4f (1/2,1/2,1/4;mx,mx,0) (-1/2,1/2,3/4;-mx,mx,0) (1/2,-1/2,-1/4;mx,-mx,0) (-1/2,-1/2,5/4;-mx,-mx,0) 4e (0,0,1/4;mx,mx,0) (0,0,3/4;-mx,mx,0) (0,0,-1/4;mx,-mx,0) (0,0,5/4;-mx,-mx,0) 4d (0,1/2,1/2;0,my,0) (-1/2,0,1;-my,0,0) (1/2,0,0;my,0,0) (0,-1/2,-1/2;0,-my,0) 4c (0,1/2,0;mx,0,0) (1/2,0,1/2;0,mx,0) (1/2,0,3/2;0,-mx,0) (0,1/2,1;-mx,0,0) 4b (1/2,1/2,0;mx,0,0) (1/2,1/2,1/2;0,mx,0) (1/2,-1/2,3/2;0,-mx,0) (-1/2,1/2,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,1/2;0,mx,0) (0,0,3/2;0,-mx,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2y|0,0,0) (2x|0,0,1/2) (2z|0,0,1/2) (2-xy|0,0,1/4) (2xy|0,0,3/4) (1|0,0,1/2)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2y|0,0,1/2)' (2x|0,0,0)' (2z|0,0,0)' (2-xy|0,0,3/4)' (2xy|0,0,1/4)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+1/4;-my,-mx,-mz) (y,x,-z+3/4;my,mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-y,-x,-z+3/4;my,mx,mz) (y,x,-z+1/4;-my,-mx,mz) 8o (x,-x,3/8;mx,mx,mz) (x,x,5/8;-mx,mx,mz) (-x,-x,1/8;mx,-mx,mz) (-x,-x,5/8;-mx,mx,-mz) (x,x,1/8;mx,-mx,-mz) (-x,x,7/8;-mx,-mx,mz) (x,-x,7/8;-mx,-mx,-mz) (-x,x,3/8;mx,mx,-mz) 8n (x,-x,1/8;mx,-mx,0) (x,x,3/8;mx,mx,0) (-x,-x,7/8;-mx,-mx,0) (-x,x,5/8;-mx,mx,0) (x,-x,5/8;-mx,mx,0) (x,x,7/8;-mx,-mx,0) (-x,-x,3/8;mx,mx,0) (-x,x,1/8;mx,-mx,0) 8m (1/2,y,0;0,my,0) (-y,1/2,1/4;-my,0,0) (y,1/2,3/4;my,0,0) (1/2,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (-y,1/2,3/4;my,0,0) (y,1/2,1/4;-my,0,0) (1/2,-y,0;0,my,0) 8l (0,y,1/4;mx,0,mz) (-y,0,1/2;0,mx,mz) (y,0,0;0,-mx,mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,mz) (-y,0,0;0,-mx,-mz) (y,0,1/2;0,mx,-mz) 8k (1/2,y,1/4;mx,0,mz) (-y,1/2,1/2;0,mx,mz) (y,1/2,0;0,-mx,mz) (1/2,y,3/4;-mx,0,-mz) (1/2,-y,1/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) (-y,1/2,0;0,-mx,-mz) (y,1/2,1/2;0,mx,-mz) 8j (0,y,0;0,my,0) (-y,0,1/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,1/2;0,-my,0) (0,y,1/2;0,-my,0) (-y,0,3/4;my,0,0) (y,0,1/4;-my,0,0) (0,-y,0;0,my,0) 8i (1/2,0,z;mx,my,0) (0,1/2,z+1/4;-my,mx,0) (0,1/2,z+3/4;my,-mx,0) (1/2,0,-z;-mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z+1/4;-my,-mx,0) (0,1/2,-z+3/4;my,mx,0) 8h (1/2,1/2,z;mx,my,0) (1/2,1/2,z+1/4;-my,mx,0) (1/2,1/2,z+3/4;my,-mx,0) (1/2,1/2,-z;-mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/4;-my,-mx,0) (1/2,1/2,-z+3/4;my,mx,0) 8g (0,0,z;mx,my,0) (0,0,z+1/4;-my,mx,0) (0,0,z+3/4;my,-mx,0) (0,0,-z;-mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,-z+1/4;-my,-mx,0) (0,0,-z+3/4;my,mx,0) 4f (1/2,1/2,1/8;mx,-mx,0) (1/2,1/2,3/8;mx,mx,0) (1/2,1/2,7/8;-mx,-mx,0) (1/2,1/2,5/8;-mx,mx,0) 4e (0,0,1/8;mx,-mx,0) (0,0,3/8;mx,mx,0) (0,0,7/8;-mx,-mx,0) (0,0,5/8;-mx,mx,0) 4d (1/2,0,1/4;mx,0,0) (0,1/2,1/2;0,mx,0) (0,1/2,0;0,-mx,0) (1/2,0,3/4;-mx,0,0) 4c (1/2,0,0;0,my,0) (0,1/2,1/4;-my,0,0) (0,1/2,3/4;my,0,0) (1/2,0,1/2;0,-my,0) 4b (1/2,1/2,0;0,my,0) (1/2,1/2,1/4;-my,0,0) (1/2,1/2,3/4;my,0,0) (1/2,1/2,1/2;0,-my,0) 4a (0,0,0;0,my,0) (0,0,1/4;-my,0,0) (0,0,3/4;my,0,0) (0,0,1/2;0,-my,0) ---------- OG: 93.7.782 P_P4_222 UNI: 93.125 P4_222.1'_C[rP4_222] BNS: 93.125 P_C4_222 OG-BNS transformation: (0,0,1/4;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) 8o (x,x,3/4;mx,mx,0) (-x,x,-3/4;-mx,mx,0) (x,-x,5/4;mx,-mx,0) (-x,-x,-1/4;-mx,-mx,0) (x+1,x,3/4;-mx,-mx,0) (-x+1,x,-3/4;mx,-mx,0) (x+1,-x,5/4;-mx,mx,0) (-x+1,-x,-1/4;mx,mx,0) 8n (x,x,1/4;mx,mx,0) (-x,x,-1/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x+1,x,-1/4;mx,-mx,0) (x+1,-x,3/4;-mx,mx,0) (-x+1,-x,1/4;mx,mx,0) 8m (x,1/2,0;0,my,mz) (-1/2,x,1/2;-my,0,mz) (1/2,-x,1/2;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,x,1/2;my,0,-mz) (-1/2,-x,1/2;-my,0,-mz) 8l (x,0,1/2;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (1,x,0;0,-mx,0) (1,-x,0;0,mx,0) (-x+1,0,1/2;mx,0,0) 8k (x,1/2,1/2;0,my,mz) (-1/2,x,1;-my,0,mz) (1/2,-x,1;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,x,0;my,0,-mz) (-1/2,-x,0;-my,0,-mz) 8j (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (1,x,1/2;0,-mx,0) (1,-x,1/2;0,mx,0) (-x+1,0,0;mx,0,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z+1/2;my,mx,0) (-1/2,0,-z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (-1/2,1/2,-z;0,0,-mz) (-1/2,-1/2,-z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (1,0,-z+1/2;0,0,mz) 4f (1/2,1/2,1/4;0,0,0) (-1/2,1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) 4e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4d (0,1/2,1/2;0,my,0) (-1/2,0,0;-my,0,0) (1/2,0,0;my,0,0) (0,-1/2,1/2;0,-my,0) 4c (0,1/2,0;0,my,0) (-1/2,0,1/2;-my,0,0) (1/2,0,1/2;my,0,0) (0,-1/2,0;0,-my,0) 4b (1/2,1/2,0;0,0,mz) (-1/2,1/2,1/2;0,0,mz) (-1/2,1/2,0;0,0,-mz) (-1/2,-1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (2y|1/2,1/2,0)' (2x|1/2,1/2,0)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) 8o (0,y,1/2;0,my,0) (-y,0,0;-my,0,0) (y,0,0;my,0,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (-y+1/2,1/2,0;my,0,0) (y+1/2,1/2,0;-my,0,0) (1/2,-y+1/2,1/2;0,my,0) 8n (0,y,0;0,my,0) (-y,0,1/2;-my,0,0) (y,0,1/2;my,0,0) (0,-y,0;0,-my,0) (1/2,y+1/2,0;0,-my,0) (-y+1/2,1/2,1/2;my,0,0) (y+1/2,1/2,1/2;-my,0,0) (1/2,-y+1/2,0;0,my,0) 8m (x,x+1/2,3/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (x,-x+1/2,1/4;mx,mx,-mz) 8l (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) 8k (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) 8j (x,x,3/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) 8i (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,-z+1/2;my,mx,0) (3/4,1/4,-z+1/2;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,-my,0) 8h (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,1/4;mx,-mx,0) (3/4,3/4,3/4;mx,mx,0) (1/4,1/4,3/4;-mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) 4c (3/4,1/4,3/4;mx,-mx,0) (3/4,3/4,1/4;mx,mx,0) (1/4,1/4,1/4;-mx,-mx,0) (1/4,3/4,3/4;-mx,mx,0) 4b (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,1/4;0,0,-mz) 4a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 93.8.783 P_I4_222' UNI: 98.162 I4_122.1'_c[rP4_222] BNS: 98.162 I_c4_122 OG-BNS transformation: (-1/2,0,0;-a-b,a-b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,3/2) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (2xy|0,0,1/2) (2-xy|0,0,3/2) (1|0,0,1)' (4z|0,0,3/2)' (4z-1|0,0,1/2)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,3/2)' (2-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (-1,-1,0)+ (1,-1,0)+ (0,0,2)+ (0,-1,1)+ 32p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+3/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+3/2;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+3/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z+3/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 16o (x,x,3/4;mx,-mx,mz) (-x,x,5/4;mx,mx,mz) (x,-x,9/4;-mx,-mx,mz) (x,-x,-3/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) (-x,-x,7/4;-mx,mx,mz) (x,x,-1/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) 16n (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,-1/4;mx,-mx,0) (-x,-x,5/4;-mx,-mx,0) (x,x,5/4;-mx,-mx,0) (-x,x,7/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,-x,1/4;mx,mx,0) 16m (x,1/2,0;0,my,mz) (-1/2,x,1/2;-my,0,mz) (1/2,-x,3/2;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,1;0,my,-mz) (-x,-1/2,1;0,-my,mz) (1/2,x,1/2;my,0,-mz) (-1/2,-x,3/2;-my,0,-mz) 16l (x,0,1/2;0,my,mz) (0,x,1;-my,0,mz) (0,-x,2;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) (0,x,0;my,0,-mz) (0,-x,1;-my,0,-mz) 16k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,mx,0) (-1/2,-x,1;0,-mx,0) (-x,-1/2,3/2;-mx,0,0) (x,1/2,3/2;-mx,0,0) (1/2,x,1;0,-mx,0) (-1/2,-x,0;0,mx,0) (-x,-1/2,1/2;mx,0,0) 16j (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,3/2;0,-mx,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (0,x,3/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;mx,0,0) 16i (0,1/2,z;0,0,mz) (-1/2,0,z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,z+3/2;0,0,-mz) (0,-1/2,-z+1;0,0,mz) (1/2,0,-z+3/2;0,0,mz) 16h (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+1/2;-my,mx,0) (1/2,-1/2,z+3/2;my,-mx,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z+1;-mx,my,0) (-1/2,-1/2,z+1;-mx,-my,0) (1/2,1/2,-z+1/2;my,mx,0) (-1/2,-1/2,-z+3/2;-my,-mx,0) 16g (0,0,z;mx,my,0) (0,0,z+1/2;-my,mx,0) (0,0,z+3/2;my,-mx,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+1/2;my,mx,0) (0,0,-z+3/2;-my,-mx,0) 8f (1/2,1/2,1/4;mx,mx,0) (-1/2,1/2,3/4;-mx,mx,0) (1/2,-1/2,-1/4;mx,-mx,0) (-1/2,-1/2,5/4;-mx,-mx,0) 8e (0,0,1/4;mx,mx,0) (0,0,3/4;-mx,mx,0) (0,0,-1/4;mx,-mx,0) (0,0,5/4;-mx,-mx,0) 8d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,1;0,0,0) 8c (0,1/2,0;0,0,mz) (-1/2,0,1/2;0,0,mz) (0,-1/2,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) 8b (1/2,1/2,0;0,my,0) (-1/2,-1/2,3/2;-my,0,0) (1/2,1/2,1/2;my,0,0) (-1/2,-1/2,1;0,-my,0) 8a (0,0,0;mx,0,0) (0,0,1/2;0,mx,0) (0,0,3/2;0,-mx,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2-xy|0,0,0) (2xy|0,0,0) (2z|0,0,0) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (1|0,0,1/2)' (4z|1/2,0,1/4)' (4z-1|1/2,0,1/4)' (2-xy|0,0,1/2)' (2xy|0,0,1/2)' (2z|0,0,1/2)' (2x|1/2,0,1/4)' (2y|1/2,0,1/4)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32p (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-y,-x,-z;-my,-mx,-mz) (y,x,-z;my,mx,-mz) (-x,-y,z;-mx,-my,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/4;my,-mx,-mz) (y+1/2,-x,z+1/4;-my,mx,-mz) (-y,-x,-z+1/2;my,mx,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-y,z+1/2;mx,my,-mz) (x+1/2,-y,-z+1/4;-mx,my,mz) (-x+1/2,y,-z+1/4;mx,-my,mz) 16o (x,1/4,3/8;0,my,mz) (3/4,x+1/2,5/8;-my,0,mz) (1/4,-x+1/2,5/8;my,0,mz) (3/4,-x,5/8;-my,0,-mz) (1/4,x,5/8;my,0,-mz) (-x,3/4,3/8;0,-my,mz) (x,1/4,7/8;0,-my,-mz) (-x,3/4,7/8;0,my,-mz) 16n (x,1/4,1/8;mx,0,0) (3/4,x+1/2,3/8;0,mx,0) (3/4,-x,7/8;0,-mx,0) (-x,3/4,1/8;-mx,0,0) (x,1/4,5/8;-mx,0,0) (1/4,x,3/8;0,-mx,0) (3/4,-x,3/8;0,mx,0) (-x+1/2,1/4,1/8;mx,0,0) 16m (x,-x+1/2,0;mx,mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (-x+1/2,-x+1/2,1/4;mx,-mx,mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x+1/2,x,0;mx,mx,-mz) (-x,x+1/2,0;-mx,-mx,mz) (x,x,1/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,-mz) 16l (x,-x,1/4;mx,mx,mz) (x,x+1/2,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,mz) (x,x+1/2,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) 16k (x,-x+1/2,1/4;mx,-mx,0) (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x,-x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) 16j (x,-x,0;mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,x,0;-mx,mx,0) (x,-x,1/2;-mx,mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (-x,x,1/2;mx,-mx,0) 16i (1/2,0,z;0,0,mz) (0,0,z+1/4;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/4;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/4;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,0,-z+1/4;0,0,mz) 16h (1/4,1/4,z;mx,my,0) (3/4,3/4,z+1/4;-my,mx,0) (1/4,1/4,z+1/4;my,-mx,0) (3/4,3/4,-z;-my,-mx,0) (1/4,1/4,-z;my,mx,0) (3/4,3/4,z;-mx,-my,0) (1/4,1/4,-z+1/4;mx,-my,0) (3/4,3/4,-z+1/4;-mx,my,0) 16g (3/4,1/4,z;mx,my,0) (3/4,1/4,z+1/4;-my,mx,0) (1/4,3/4,z+1/4;my,-mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,-z;my,mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,1/4,-z+1/4;mx,-my,0) (1/4,3/4,-z+1/4;-mx,my,0) 8f (1/4,1/4,1/8;mx,0,0) (3/4,3/4,3/8;0,mx,0) (3/4,3/4,7/8;0,-mx,0) (3/4,3/4,1/8;-mx,0,0) 8e (3/4,1/4,1/8;mx,0,0) (3/4,1/4,3/8;0,mx,0) (3/4,1/4,7/8;0,-mx,0) (1/4,3/4,1/8;-mx,0,0) 8d (1/2,0,1/4;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,3/4;0,0,0) (0,0,0;0,0,0) 8c (1/2,0,0;0,0,mz) (0,0,1/4;0,0,mz) (0,1/2,0;0,0,-mz) (1/2,1/2,1/4;0,0,-mz) 8b (1/4,1/4,0;mx,mx,0) (3/4,3/4,1/4;-mx,mx,0) (1/4,1/4,1/4;mx,-mx,0) (3/4,3/4,0;-mx,-mx,0) 8a (3/4,1/4,0;mx,-mx,0) (3/4,1/4,1/4;mx,mx,0) (1/4,3/4,1/4;-mx,-mx,0) (1/4,3/4,0;-mx,mx,0) ---------- OG: 93.9.784 P_2c4_2'22 UNI: 95.140 P4_322.1'_c[P4_222] BNS: 95.140 P_c4_322 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (4z|0,0,3/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,1) (2z|0,0,1) (2xy|0,0,3/2) (2-xy|0,0,1/2) (1|0,0,1)' (4z|0,0,1/2)' (4z-1|0,0,3/2)' (2x|0,0,1)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,3/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 16p (x,y,z;mx,my,mz) (-y,x,z+3/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (y,x,-z+3/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+3/2;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+3/2;my,mx,mz) 8o (x,x,3/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,-3/4;mx,-mx,0) (-x,-x,7/4;-mx,-mx,0) (x,x,7/4;-mx,-mx,0) (-x,x,-3/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,3/4;mx,mx,0) 8n (x,x,1/4;mx,-mx,mz) (-x,x,7/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (x,-x,-1/4;mx,mx,-mz) (-x,x,3/4;-mx,-mx,-mz) (-x,-x,5/4;-mx,mx,mz) (x,x,5/4;-mx,mx,-mz) (-x,-x,1/4;mx,-mx,-mz) 8m (x,1/2,0;mx,0,0) (1/2,x,3/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,1;-mx,0,0) (x,1/2,1;-mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,3/2;0,mx,0) (-x,1/2,0;mx,0,0) 8l (x,0,1/2;0,my,mz) (0,x,2;-my,0,mz) (0,-x,1;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,3/2;0,-my,mz) (0,x,1;my,0,-mz) (0,-x,0;-my,0,-mz) 8k (x,1/2,1/2;0,my,mz) (-1/2,x,2;-my,0,mz) (1/2,-x,1;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,-1/2,3/2;0,-my,mz) (1/2,x,1;my,0,-mz) (-1/2,-x,0;-my,0,-mz) 8j (x,0,0;mx,0,0) (0,x,3/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1;-mx,0,0) (x,0,1;-mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,3/2;0,mx,0) (-x,0,0;mx,0,0) 8i (0,1/2,z;mx,my,0) (-1/2,0,z+3/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z+1;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,0,-z+3/2;my,mx,0) (-1/2,0,-z+1/2;-my,-mx,0) 8h (1/2,1/2,z;mx,my,0) (-1/2,1/2,z+3/2;-my,mx,0) (1/2,-1/2,z+1/2;my,-mx,0) (1/2,-1/2,-z;mx,-my,0) (-1/2,1/2,-z+1;-mx,my,0) (-1/2,-1/2,z+1;-mx,-my,0) (1/2,1/2,-z+3/2;my,mx,0) (-1/2,-1/2,-z+1/2;-my,-mx,0) 8g (0,0,z;mx,my,0) (0,0,z+3/2;-my,mx,0) (0,0,z+1/2;my,-mx,0) (0,0,-z;mx,-my,0) (0,0,-z+1;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+3/2;my,mx,0) (0,0,-z+1/2;-my,-mx,0) 4f (1/2,1/2,1/4;mx,-mx,0) (1/2,-1/2,-1/4;mx,mx,0) (-1/2,1/2,3/4;-mx,-mx,0) (-1/2,-1/2,5/4;-mx,mx,0) 4e (0,0,1/4;mx,-mx,0) (0,0,-1/4;mx,mx,0) (0,0,3/4;-mx,-mx,0) (0,0,5/4;-mx,mx,0) 4d (0,1/2,1/2;0,my,0) (-1/2,0,2;-my,0,0) (1/2,0,1;my,0,0) (0,-1/2,-1/2;0,-my,0) 4c (0,1/2,0;mx,0,0) (1/2,0,3/2;0,mx,0) (1/2,0,1/2;0,-mx,0) (0,1/2,1;-mx,0,0) 4b (1/2,1/2,0;mx,0,0) (1/2,1/2,3/2;0,mx,0) (1/2,-1/2,1/2;0,-mx,0) (-1/2,1/2,1;-mx,0,0) 4a (0,0,0;mx,0,0) (0,0,3/2;0,mx,0) (0,0,1/2;0,-mx,0) (0,0,1;-mx,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2y|0,0,0) (2x|0,0,1/2) (2z|0,0,1/2) (2-xy|0,0,3/4) (2xy|0,0,1/4) (1|0,0,1/2)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2y|0,0,1/2)' (2x|0,0,0)' (2z|0,0,0)' (2-xy|0,0,1/4)' (2xy|0,0,3/4)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+3/4;-my,-mx,-mz) (y,x,-z+1/4;my,mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-y,-x,-z+1/4;my,mx,mz) (y,x,-z+3/4;-my,-mx,mz) 8o (x,-x,3/8;mx,-mx,0) (x,x,1/8;mx,mx,0) (-x,-x,5/8;-mx,-mx,0) (-x,x,7/8;-mx,mx,0) (x,-x,7/8;-mx,mx,0) (x,x,5/8;-mx,-mx,0) (-x,-x,1/8;mx,mx,0) (-x,x,3/8;mx,-mx,0) 8n (x,-x,1/8;mx,mx,mz) (x,x,7/8;-mx,mx,mz) (-x,-x,3/8;mx,-mx,mz) (-x,-x,7/8;-mx,mx,-mz) (x,x,3/8;mx,-mx,-mz) (-x,x,5/8;-mx,-mx,mz) (x,-x,5/8;-mx,-mx,-mz) (-x,x,1/8;mx,mx,-mz) 8m (1/2,y,0;0,my,0) (-y,1/2,3/4;-my,0,0) (y,1/2,1/4;my,0,0) (1/2,-y,1/2;0,-my,0) (1/2,y,1/2;0,-my,0) (-y,1/2,1/4;my,0,0) (y,1/2,3/4;-my,0,0) (1/2,-y,0;0,my,0) 8l (0,y,1/4;mx,0,mz) (-y,0,0;0,mx,mz) (y,0,1/2;0,-mx,mz) (0,y,3/4;-mx,0,-mz) (0,-y,1/4;mx,0,-mz) (0,-y,3/4;-mx,0,mz) (-y,0,1/2;0,-mx,-mz) (y,0,0;0,mx,-mz) 8k (1/2,y,1/4;mx,0,mz) (-y,1/2,0;0,mx,mz) (y,1/2,1/2;0,-mx,mz) (1/2,y,3/4;-mx,0,-mz) (1/2,-y,1/4;mx,0,-mz) (1/2,-y,3/4;-mx,0,mz) (-y,1/2,1/2;0,-mx,-mz) (y,1/2,0;0,mx,-mz) 8j (0,y,0;0,my,0) (-y,0,3/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/2;0,-my,0) (0,y,1/2;0,-my,0) (-y,0,1/4;my,0,0) (y,0,3/4;-my,0,0) (0,-y,0;0,my,0) 8i (1/2,0,z;mx,my,0) (0,1/2,z+3/4;-my,mx,0) (0,1/2,z+1/4;my,-mx,0) (1/2,0,-z;-mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z+3/4;-my,-mx,0) (0,1/2,-z+1/4;my,mx,0) 8h (1/2,1/2,z;mx,my,0) (1/2,1/2,z+3/4;-my,mx,0) (1/2,1/2,z+1/4;my,-mx,0) (1/2,1/2,-z;-mx,my,0) (1/2,1/2,-z+1/2;mx,-my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+3/4;-my,-mx,0) (1/2,1/2,-z+1/4;my,mx,0) 8g (0,0,z;mx,my,0) (0,0,z+3/4;-my,mx,0) (0,0,z+1/4;my,-mx,0) (0,0,-z;-mx,my,0) (0,0,-z+1/2;mx,-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,-z+3/4;-my,-mx,0) (0,0,-z+1/4;my,mx,0) 4f (1/2,1/2,1/8;mx,mx,0) (1/2,1/2,7/8;-mx,mx,0) (1/2,1/2,3/8;mx,-mx,0) (1/2,1/2,5/8;-mx,-mx,0) 4e (0,0,1/8;mx,mx,0) (0,0,7/8;-mx,mx,0) (0,0,3/8;mx,-mx,0) (0,0,5/8;-mx,-mx,0) 4d (1/2,0,1/4;mx,0,0) (0,1/2,0;0,mx,0) (0,1/2,1/2;0,-mx,0) (1/2,0,3/4;-mx,0,0) 4c (1/2,0,0;0,my,0) (0,1/2,3/4;-my,0,0) (0,1/2,1/4;my,0,0) (1/2,0,1/2;0,-my,0) 4b (1/2,1/2,0;0,my,0) (1/2,1/2,3/4;-my,0,0) (1/2,1/2,1/4;my,0,0) (1/2,1/2,1/2;0,-my,0) 4a (0,0,0;0,my,0) (0,0,3/4;-my,0,0) (0,0,1/4;my,0,0) (0,0,1/2;0,-my,0) ---------- OG: 93.10.785 P_P4_2'22' UNI: 94.133 P4_22_12.1'_C[rP4_222] BNS: 94.133 P_C4_22_12 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 8o (x,x,3/4;mx,-mx,mz) (-x+1,x,5/4;mx,mx,mz) (x+1,-x,5/4;-mx,-mx,mz) (x,-x,-3/4;mx,mx,-mz) (-x,x,-3/4;-mx,-mx,-mz) (-x,-x,3/4;-mx,mx,mz) (x+1,x,-1/4;-mx,mx,-mz) (-x+1,-x,-1/4;mx,-mx,-mz) 8n (x,x,1/4;mx,-mx,mz) (-x+1,x,3/4;mx,mx,mz) (x+1,-x,3/4;-mx,-mx,mz) (x,-x,-1/4;mx,mx,-mz) (-x,x,-1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) 8m (x,1/2,0;0,my,mz) (1/2,x,1/2;-my,0,mz) (3/2,-x,1/2;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (3/2,x,1/2;my,0,-mz) (1/2,-x,1/2;-my,0,-mz) 8l (x,0,1/2;mx,0,0) (1,x,0;0,mx,0) (1,-x,0;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1,0,1/2;-mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x+1,0,1/2;mx,0,0) 8k (x,1/2,1/2;0,my,mz) (1/2,x,1;-my,0,mz) (3/2,-x,1;my,0,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (3/2,x,0;my,0,-mz) (1/2,-x,0;-my,0,-mz) 8j (x,0,0;mx,0,0) (1,x,1/2;0,mx,0) (1,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (x+1,0,0;-mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x+1,0,0;mx,0,0) 8i (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-my,mx,0) (3/2,0,z+1/2;my,-mx,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z+1/2;my,mx,0) (1/2,0,-z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (-1/2,1/2,-z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (-1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (-1/2,-1/2,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (1,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,-z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 4f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (-1/2,1/2,-1/4;0,0,-mz) (1/2,-1/2,1/4;0,0,-mz) 4e (0,0,1/4;0,0,mz) (1,0,3/4;0,0,mz) (0,0,-1/4;0,0,-mz) (1,0,1/4;0,0,-mz) 4d (0,1/2,1/2;0,my,0) (1/2,0,0;-my,0,0) (3/2,0,0;my,0,0) (0,-1/2,1/2;0,-my,0) 4c (0,1/2,0;0,my,0) (1/2,0,1/2;-my,0,0) (3/2,0,1/2;my,0,0) (0,-1/2,0;0,-my,0) 4b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) (-1/2,1/2,0;0,0,-mz) (1/2,-1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (1|1/2,1/2,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|0,0,1/2)' (2x|0,0,1/2)' Wyckoff positions (BNS): 16p (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) 8o (0,y,3/4;mx,0,mz) (-y+1/2,1/2,1/4;0,mx,mz) (y+1/2,1/2,1/4;0,-mx,mz) (y,0,1/4;0,mx,-mz) (-y,0,1/4;0,-mx,-mz) (0,-y,3/4;-mx,0,mz) (1/2,y+1/2,3/4;-mx,0,-mz) (1/2,-y+1/2,3/4;mx,0,-mz) 8n (0,y,1/4;mx,0,mz) (-y+1/2,1/2,3/4;0,mx,mz) (y+1/2,1/2,3/4;0,-mx,mz) (y,0,3/4;0,mx,-mz) (-y,0,3/4;0,-mx,-mz) (0,-y,1/4;-mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;mx,0,-mz) 8m (x,x+1/2,0;mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x+1/2,-x,1/2;mx,mx,-mz) 8l (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8k (x,x+1/2,1/2;mx,-mx,mz) (-x,x+1/2,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x+1/2,-x,0;mx,mx,-mz) 8j (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) 8i (3/4,1/4,z;mx,my,0) (1/4,1/4,z+1/2;-my,mx,0) (3/4,3/4,z+1/2;my,-mx,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,3/4,-z+1/2;-mx,my,0) (1/4,1/4,-z+1/2;mx,-my,0) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 4f (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (1/2,0,1/4;0,0,-mz) 4e (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,-mz) 4d (3/4,1/4,1/2;mx,-mx,0) (1/4,1/4,0;mx,mx,0) (3/4,3/4,0;-mx,-mx,0) (1/4,3/4,1/2;-mx,mx,0) 4c (3/4,1/4,0;mx,-mx,0) (1/4,1/4,1/2;mx,mx,0) (3/4,3/4,1/2;-mx,-mx,0) (1/4,3/4,0;-mx,mx,0) 4b (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) 4a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 94.1.786 P4_22_12 UNI: 94.127 P4_22_12.1 BNS: 94.127 P4_22_12 Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) 4e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4d (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) 4c (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 94.2.787 P4_22_121' UNI: 94.128 P4_22_12.1' BNS: 94.128 P4_22_121' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) 4f (x,x,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x,-x,1/2;0,0,0) 4e (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) 4d (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) 4c (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 94.3.788 P4_2'2_12' UNI: 94.129 P4_2'2_12' BNS: 94.129 P4_2'2_12' Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,-mz) (x+1/2,-x+1/2,0;mx,mx,-mz) (-x,-x,1/2;-mx,mx,mz) 4e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x,-x,0;-mx,mx,mz) 4d (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) 4c (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 94.4.789 P4_22_1'2' UNI: 94.130 P4_22_1'2' BNS: 94.130 P4_22_1'2' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 4f (x,x,1/2;mx,-mx,mz) (-x+1/2,x+1/2,0;mx,mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) 4e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (-x,-x,0;-mx,mx,mz) 4d (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) 4c (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 94.5.790 P4_2'2_1'2 UNI: 94.131 P4_2'2_1'2 BNS: 94.131 P4_2'2_1'2 Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 4f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) 4e (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4d (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) 4c (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 94.6.791 P_2c4_22_12 UNI: 92.116 P4_12_12.1'_c[P4_22_12] BNS: 92.116 P_c4_12_12 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,3/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,3/2) (2z|0,0,1) (2xy|0,0,1) (2-xy|0,0,0) (1|0,0,1)' (4z|1/2,1/2,3/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,3/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+3/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+3/2;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+3/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 8f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,1;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,3/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,-x+1/2,1;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 8e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,mz) (x+1/2,-x+1/2,3/2;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,x+1/2,3/2;-mx,-mx,-mz) (-x,-x,1;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x,-x,0;mx,-mx,-mz) 8d (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-my,mx,0) (1,1/2,z+3/2;my,-mx,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,1,-z+3/2;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,0,-z+1;my,mx,0) (-1/2,0,-z;-my,-mx,0) 8c (0,0,z;mx,my,0) (1/2,1/2,z+1/2;-my,mx,0) (1/2,1/2,z+3/2;my,-mx,0) (1/2,1/2,-z+1/2;mx,-my,0) (1/2,1/2,-z+3/2;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+1;my,mx,0) (0,0,-z;-my,-mx,0) 4b (0,0,1/2;mx,mx,0) (1/2,1/2,1;-mx,mx,0) (1/2,1/2,0;mx,-mx,0) (0,0,3/2;-mx,-mx,0) 4a (0,0,0;mx,-mx,0) (1/2,1/2,1/2;mx,mx,0) (1/2,1/2,3/2;-mx,-mx,0) (0,0,1;-mx,mx,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2y|1/2,1/2,1/4) (2x|1/2,1/2,3/4) (2z|0,0,1/2) (2-xy|0,0,1/2) (2xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2y|1/2,1/2,3/4)' (2x|1/2,1/2,1/4)' (2z|0,0,0)' (2-xy|0,0,0)' (2xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1/2,z+3/4;my,-mx,mz) (-x+1/2,y+1/2,-z+1/4;-mx,my,-mz) (x+1/2,-y+1/2,-z+3/4;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,x,-z;my,mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,y+1/2,-z+3/4;mx,-my,mz) (x+1/2,-y+1/2,-z+1/4;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-y,-x,-z;my,mx,mz) (y,x,-z+1/2;-my,-mx,mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;-mx,mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (-x,x,1/4;mx,-mx,0) 8e (x,-x,0;mx,mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (-x+1/2,-x+1/2,3/4;mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) (-x,x,1/2;-mx,-mx,mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,0;mx,mx,-mz) 8d (1/2,0,z;mx,my,0) (1/2,0,z+1/4;-my,mx,0) (1/2,0,z+3/4;my,-mx,0) (0,1/2,-z+1/4;-mx,my,0) (0,1/2,-z+3/4;mx,-my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z+1/2;-my,-mx,0) (0,1/2,-z;my,mx,0) 8c (0,0,z;mx,my,0) (1/2,1/2,z+1/4;-my,mx,0) (1/2,1/2,z+3/4;my,-mx,0) (1/2,1/2,-z+1/4;-mx,my,0) (1/2,1/2,-z+3/4;mx,-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,-z+1/2;-my,-mx,0) (0,0,-z;my,mx,0) 4b (0,0,1/4;mx,-mx,0) (1/2,1/2,1/2;mx,mx,0) (1/2,1/2,0;-mx,-mx,0) (0,0,3/4;-mx,mx,0) 4a (0,0,0;mx,mx,0) (1/2,1/2,1/4;-mx,mx,0) (1/2,1/2,3/4;mx,-mx,0) (0,0,1/2;-mx,-mx,0) ---------- OG: 94.7.792 P_2c4_2'2_1'2 UNI: 96.148 P4_32_12.1'_c[P4_22_12] BNS: 96.148 P_c4_32_12 OG-BNS transformation: (0,0,0;b,-a,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,3/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,3/2) (2y|1/2,1/2,1/2) (2z|0,0,1) (2xy|0,0,1) (2-xy|0,0,0) (1|0,0,1)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,3/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,3/2)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+3/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z+1;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+3/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+3/2;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) 8f (x,x,1/2;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,1;mx,-mx,0) (-x,-x,3/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x+1/2,x+1/2,1;mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (-x,-x,1/2;mx,mx,0) 8e (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,3/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,-x+1/2,3/2;mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (-x,-x,1;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x,-x,0;mx,-mx,-mz) 8d (0,1/2,z;mx,my,0) (0,1/2,z+3/2;-my,mx,0) (1,1/2,z+1/2;my,-mx,0) (1/2,0,-z+3/2;mx,-my,0) (1/2,1,-z+1/2;-mx,my,0) (0,-1/2,z+1;-mx,-my,0) (1/2,0,-z+1;my,mx,0) (-1/2,0,-z;-my,-mx,0) 8c (0,0,z;mx,my,0) (1/2,1/2,z+3/2;-my,mx,0) (1/2,1/2,z+1/2;my,-mx,0) (1/2,1/2,-z+3/2;mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (0,0,z+1;-mx,-my,0) (0,0,-z+1;my,mx,0) (0,0,-z;-my,-mx,0) 4b (0,0,1/2;mx,mx,0) (1/2,1/2,0;-mx,mx,0) (1/2,1/2,1;mx,-mx,0) (0,0,3/2;-mx,-mx,0) 4a (0,0,0;mx,-mx,0) (1/2,1/2,3/2;mx,mx,0) (1/2,1/2,1/2;-mx,-mx,0) (0,0,1;-mx,mx,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (2x|1/2,1/2,1/4) (2z|0,0,1/2) (2-xy|0,0,1/2) (2xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2y|1/2,1/2,1/4)' (2x|1/2,1/2,3/4)' (2z|0,0,0)' (2-xy|0,0,0)' (2xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;-my,mx,mz) (y+1/2,-x+1/2,z+1/4;my,-mx,mz) (-x+1/2,y+1/2,-z+3/4;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/4;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,x,-z;my,mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,y+1/2,-z+1/4;mx,-my,mz) (x+1/2,-y+1/2,-z+3/4;-mx,my,mz) (-x,-y,z;mx,my,-mz) (-y,-x,-z;my,mx,mz) (y,x,-z+1/2;-my,-mx,mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x+1/2,0;mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;-mx,mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) (-x,x,1/4;mx,-mx,0) 8e (x,-x,0;mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) (-x+1/2,-x+1/2,1/4;mx,-mx,mz) (-x+1/2,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,x+1/2,1/4;mx,-mx,-mz) (-x,x,1/2;-mx,-mx,mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,0;mx,mx,-mz) 8d (1/2,0,z;mx,my,0) (1/2,0,z+3/4;-my,mx,0) (1/2,0,z+1/4;my,-mx,0) (0,1/2,-z+3/4;-mx,my,0) (0,1/2,-z+1/4;mx,-my,0) (1/2,0,z+1/2;-mx,-my,0) (0,1/2,-z+1/2;-my,-mx,0) (0,1/2,-z;my,mx,0) 8c (0,0,z;mx,my,0) (1/2,1/2,z+3/4;-my,mx,0) (1/2,1/2,z+1/4;my,-mx,0) (1/2,1/2,-z+3/4;-mx,my,0) (1/2,1/2,-z+1/4;mx,-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,-z+1/2;-my,-mx,0) (0,0,-z;my,mx,0) 4b (0,0,1/4;mx,-mx,0) (1/2,1/2,0;mx,mx,0) (1/2,1/2,1/2;-mx,-mx,0) (0,0,3/4;-mx,mx,0) 4a (0,0,0;mx,mx,0) (1/2,1/2,3/4;-mx,mx,0) (1/2,1/2,1/4;mx,-mx,0) (0,0,1/2;-mx,-mx,0) ---------- OG: 95.1.793 P4_322 UNI: 95.135 P4_322.1 BNS: 95.135 P4_322 Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,1/4) (2-xy|0,0,3/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+1/4;my,mx,-mz) (-y,-x,-z+3/4;-my,-mx,-mz) 4c (x,x,5/8;mx,mx,0) (-x,x,3/8;-mx,mx,0) (x,-x,7/8;mx,-mx,0) (-x,-x,1/8;-mx,-mx,0) 4b (1/2,y,0;0,my,0) (-y,1/2,3/4;-my,0,0) (y,1/2,1/4;my,0,0) (1/2,-y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (-y,0,3/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/2;0,-my,0) ---------- OG: 95.2.794 P4_3221' UNI: 95.136 P4_322.1' BNS: 95.136 P4_3221' Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,1/4) (2-xy|0,0,3/4) (1|0,0,0)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2)' (2xy|0,0,1/4)' (2-xy|0,0,3/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (-y,x,z+3/4;0,0,0) (y,-x,z+1/4;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z+1/2;0,0,0) (y,x,-z+1/4;0,0,0) (-y,-x,-z+3/4;0,0,0) 4c (x,x,5/8;0,0,0) (-x,x,3/8;0,0,0) (x,-x,7/8;0,0,0) (-x,-x,1/8;0,0,0) 4b (1/2,y,0;0,0,0) (-y,1/2,3/4;0,0,0) (y,1/2,1/4;0,0,0) (1/2,-y,1/2;0,0,0) 4a (0,y,0;0,0,0) (-y,0,3/4;0,0,0) (y,0,1/4;0,0,0) (0,-y,1/2;0,0,0) ---------- OG: 95.3.795 P4_3'22' UNI: 95.137 P4_3'22' BNS: 95.137 P4_3'22' Operators: (1|0,0,0) (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,1/4)' (2-xy|0,0,3/4)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+1/4;-my,-mx,mz) (-y,-x,-z+3/4;my,mx,mz) 4c (x,x,5/8;mx,-mx,mz) (-x,x,3/8;-mx,-mx,-mz) (x,-x,7/8;mx,mx,-mz) (-x,-x,1/8;-mx,mx,mz) 4b (1/2,y,0;0,my,0) (-y,1/2,3/4;my,0,0) (y,1/2,1/4;-my,0,0) (1/2,-y,1/2;0,-my,0) 4a (0,y,0;0,my,0) (-y,0,3/4;my,0,0) (y,0,1/4;-my,0,0) (0,-y,1/2;0,-my,0) ---------- OG: 95.4.796 P4_32'2' UNI: 95.138 P4_32'2' BNS: 95.138 P4_32'2' Operators: (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2) (2xy|0,0,1/4)' (2-xy|0,0,3/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+1/4;-my,-mx,mz) (-y,-x,-z+3/4;my,mx,mz) 4c (x,x,5/8;mx,-mx,mz) (-x,x,3/8;mx,mx,mz) (x,-x,7/8;-mx,-mx,mz) (-x,-x,1/8;-mx,mx,mz) 4b (1/2,y,0;mx,0,mz) (-y,1/2,3/4;0,mx,mz) (y,1/2,1/4;0,-mx,mz) (1/2,-y,1/2;-mx,0,mz) 4a (0,y,0;mx,0,mz) (-y,0,3/4;0,mx,mz) (y,0,1/4;0,-mx,mz) (0,-y,1/2;-mx,0,mz) ---------- OG: 95.5.797 P4_3'2'2 UNI: 95.139 P4_3'2'2 BNS: 95.139 P4_3'2'2 Operators: (1|0,0,0) (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2x|0,0,1/2)' (2y|0,0,0)' (2z|0,0,1/2) (2xy|0,0,1/4) (2-xy|0,0,3/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+1/4;my,mx,-mz) (-y,-x,-z+3/4;-my,-mx,-mz) 4c (x,x,5/8;mx,mx,0) (-x,x,3/8;mx,-mx,0) (x,-x,7/8;-mx,mx,0) (-x,-x,1/8;-mx,-mx,0) 4b (1/2,y,0;mx,0,mz) (-y,1/2,3/4;0,-mx,-mz) (y,1/2,1/4;0,mx,-mz) (1/2,-y,1/2;-mx,0,mz) 4a (0,y,0;mx,0,mz) (-y,0,3/4;0,-mx,-mz) (y,0,1/4;0,mx,-mz) (0,-y,1/2;-mx,0,mz) ---------- OG: 95.6.798 P_P4_322 UNI: 95.141 P4_322.1'_C[rP4_322] BNS: 95.141 P_C4_322 OG-BNS transformation: (0,0,1/8;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,0,1/4) (2-xy|0,0,3/4) (1|1,0,0)' (4z|1,0,3/4)' (4z-1|1,0,1/4)' (2x|1,0,1/2)' (2y|1,0,0)' (2z|1,0,1/2)' (2xy|1,0,1/4)' (2-xy|1,0,3/4)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z+1/4;my,mx,-mz) (-y,-x,-z+3/4;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+3/4;my,-mx,-mz) (y+1,-x,z+1/4;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z+1/2;mx,my,-mz) (y+1,x,-z+1/4;-my,-mx,mz) (-y+1,-x,-z+3/4;my,mx,mz) 8c (x,x,5/8;mx,mx,0) (-x,x,-5/8;-mx,mx,0) (x,-x,7/8;mx,-mx,0) (-x,-x,1/8;-mx,-mx,0) (x+1,x,5/8;-mx,-mx,0) (-x+1,x,-5/8;mx,-mx,0) (x+1,-x,7/8;-mx,mx,0) (-x+1,-x,1/8;mx,mx,0) 8b (1/2,y,0;mx,0,mz) (-y,1/2,3/4;0,mx,mz) (y,-1/2,1/4;0,-mx,mz) (1/2,-y,1/2;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) (y,1/2,1/4;0,mx,-mz) (-y,-1/2,3/4;0,-mx,-mz) 8a (0,y,0;0,my,0) (-y,0,3/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/2;0,-my,0) (1,y,0;0,-my,0) (-y+1,0,3/4;my,0,0) (y+1,0,1/4;-my,0,0) (1,-y,1/2;0,my,0) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2xy|0,0,1/4) (2-xy|0,0,3/4) (2z|0,0,1/2) (2y|0,0,0) (2x|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2xy|1/2,1/2,1/4)' (2-xy|1/2,1/2,3/4)' (2z|1/2,1/2,1/2)' (2y|1/2,1/2,0)' (2x|1/2,1/2,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (y,x,-z+1/4;my,mx,-mz) (-y,-x,-z+3/4;-my,-mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (y+1/2,x+1/2,-z+1/4;-my,-mx,mz) (-y+1/2,-x+1/2,-z+3/4;my,mx,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) 8c (0,y,1/2;0,my,0) (-y,0,1/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,0;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (-y+1/2,1/2,1/4;my,0,0) (y+1/2,1/2,3/4;-my,0,0) (1/2,-y+1/2,0;0,my,0) 8b (x,-x+1/2,7/8;mx,mx,mz) (x+1/2,x,5/8;-mx,mx,mz) (-x+1/2,-x,1/8;mx,-mx,mz) (-x+1/2,x,3/8;mx,mx,-mz) (x+1/2,-x,7/8;-mx,-mx,-mz) (-x,x+1/2,3/8;-mx,-mx,mz) (-x,-x+1/2,1/8;-mx,mx,-mz) (x,x+1/2,5/8;mx,-mx,-mz) 8a (x,-x,7/8;mx,-mx,0) (x,x,5/8;mx,mx,0) (-x,-x,1/8;-mx,-mx,0) (-x,x,3/8;-mx,mx,0) (x+1/2,-x+1/2,7/8;-mx,mx,0) (x+1/2,x+1/2,5/8;-mx,-mx,0) (-x+1/2,-x+1/2,1/8;mx,mx,0) (-x+1/2,x+1/2,3/8;mx,-mx,0) ---------- OG: 95.7.799 P_P4_3'22' UNI: 96.149 P4_32_12.1'_C[rP4_322] BNS: 96.149 P_C4_32_12 OG-BNS transformation: (0,0,0;a+b,-a+b,c) Operators (OG): (1|0,0,0) (4z|0,1,3/4) (4z-1|0,1,1/4) (2x|0,0,1/2) (2y|0,0,0) (2z|0,0,1/2) (2xy|0,1,1/4) (2-xy|0,1,3/4) (1|0,1,0)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2x|0,1,1/2)' (2y|0,1,0)' (2z|0,1,1/2)' (2xy|0,0,1/4)' (2-xy|0,0,3/4)' Wyckoff positions (OG): (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x+1,z+3/4;-my,mx,mz) (y,-x+1,z+1/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x+1,-z+1/4;my,mx,-mz) (-y,-x+1,-z+3/4;-my,-mx,-mz) (x,y+1,z;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (x,-y+1,-z+1/2;-mx,my,mz) (-x,y+1,-z;mx,-my,mz) (-x,-y+1,z+1/2;mx,my,-mz) (y,x,-z+1/4;-my,-mx,mz) (-y,-x,-z+3/4;my,mx,mz) 8c (x,x,5/8;mx,-mx,mz) (-x,x+1,11/8;mx,mx,mz) (x,-x+1,7/8;-mx,-mx,mz) (x,-x,-1/8;mx,mx,-mz) (-x,x,-5/8;-mx,-mx,-mz) (-x,-x,9/8;-mx,mx,mz) (x,x+1,-3/8;-mx,mx,-mz) (-x,-x+1,1/8;mx,-mx,-mz) 8b (1/2,y,0;mx,0,mz) (-y,3/2,3/4;0,mx,mz) (y,1/2,1/4;0,-mx,mz) (1/2,-y,1/2;mx,0,-mz) (-1/2,y,0;-mx,0,-mz) (-1/2,-y,1/2;-mx,0,mz) (y,3/2,1/4;0,mx,-mz) (-y,1/2,3/4;0,-mx,-mz) 8a (0,y,0;0,my,0) (-y,1,3/4;-my,0,0) (y,1,1/4;my,0,0) (0,-y,1/2;0,-my,0) (0,y+1,0;0,-my,0) (-y,0,3/4;my,0,0) (y,0,1/4;-my,0,0) (0,-y+1,1/2;0,my,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2-xy|0,0,1/2) (2xy|0,0,0) (2z|0,0,1/2) (2x|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (1|1/2,1/2,0)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2-xy|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (2x|0,0,1/4)' (2y|0,0,3/4)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;-my,mx,mz) (y+1/2,-x+1/2,z+1/4;my,-mx,mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,x,-z;my,mx,-mz) (-x,-y,z+1/2;-mx,-my,mz) (x+1/2,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+3/4;-mx,my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (x,-y,-z+1/4;-mx,my,mz) (-x,y,-z+3/4;mx,-my,mz) 8c (x,0,5/8;0,my,mz) (1/2,x+1/2,3/8;-my,0,mz) (1/2,-x+1/2,7/8;my,0,mz) (0,-x,7/8;-my,0,-mz) (0,x,3/8;my,0,-mz) (-x,0,1/8;0,-my,mz) (x+1/2,1/2,5/8;0,-my,-mz) (-x+1/2,1/2,1/8;0,my,-mz) 8b (x,x+1/2,0;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x+1/2,x,0;-mx,mx,-mz) (-x,-x+1/2,1/2;-mx,mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x,3/4;-mx,-mx,-mz) 8a (x,x,0;mx,mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x,x,3/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) ---------- OG: 96.1.800 P4_32_12 UNI: 96.143 P4_32_12.1 BNS: 96.143 P4_32_12 Operators: (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2x|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;-my,mx,mz) (y+1/2,-x+1/2,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+3/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4a (x,x,0;mx,mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) ---------- OG: 96.2.801 P4_32_121' UNI: 96.144 P4_32_12.1' BNS: 96.144 P4_32_121' Operators: (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2x|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) (1|0,0,0)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2x|1/2,1/2,1/4)' (2y|1/2,1/2,3/4)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;0,0,0) (-y+1/2,x+1/2,z+3/4;0,0,0) (y+1/2,-x+1/2,z+1/4;0,0,0) (x+1/2,-y+1/2,-z+1/4;0,0,0) (-x+1/2,y+1/2,-z+3/4;0,0,0) (-x,-y,z+1/2;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z+1/2;0,0,0) 4a (x,x,0;0,0,0) (-x+1/2,x+1/2,3/4;0,0,0) (x+1/2,-x+1/2,1/4;0,0,0) (-x,-x,1/2;0,0,0) ---------- OG: 96.3.802 P4_3'2_12' UNI: 96.145 P4_3'2_12' BNS: 96.145 P4_3'2_12' Operators: (1|0,0,0) (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2x|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (2z|0,0,1/2) (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (-1,0,0)+ (0,0,1)+ (0,1,0)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+3/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4a (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (x+1/2,-x+1/2,1/4;mx,mx,-mz) (-x,-x,1/2;-mx,mx,mz) ---------- OG: 96.4.803 P4_32_1'2' UNI: 96.146 P4_32_1'2' BNS: 96.146 P4_32_1'2' Operators: (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2x|1/2,1/2,1/4)' (2y|1/2,1/2,3/4)' (2z|0,0,1/2) (2xy|0,0,0)' (2-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;-my,mx,mz) (y+1/2,-x+1/2,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z+1/4;-mx,my,mz) (-x+1/2,y+1/2,-z+3/4;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) 4a (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,3/4;mx,mx,mz) (x+1/2,-x+1/2,1/4;-mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) ---------- OG: 96.5.804 P4_3'2_1'2 UNI: 96.147 P4_3'2_1'2 BNS: 96.147 P4_3'2_1'2 Operators: (1|0,0,0) (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2x|1/2,1/2,1/4)' (2y|1/2,1/2,3/4)' (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ 8b (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/4;-mx,my,mz) (-x+1/2,y+1/2,-z+3/4;mx,-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 4a (x,x,0;mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) ---------- OG: 97.1.805 I422 UNI: 97.151 I422.1 BNS: 97.151 I422 Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 8j (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) 8i (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 8g (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 97.2.806 I4221' UNI: 97.152 I422.1' BNS: 97.152 I4221' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) 8j (x,x+1/2,1/4;0,0,0) (-x,x+1/2,3/4;0,0,0) (x,-x+1/2,3/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) 8i (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 8h (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 8g (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 8f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 97.3.807 I4'22' UNI: 97.153 I4'22' BNS: 97.153 I4'22' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) 8i (x,0,1/2;mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) 8h (x,0,0;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,0;-mx,0,0) 8g (x,x,0;mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (x,-x,0;mx,mx,-mz) (-x,-x,0;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 97.4.808 I42'2' UNI: 97.154 I42'2' BNS: 97.154 I42'2' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16k (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) 8i (x,0,1/2;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (-x,0,1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (0,x,0;-my,0,mz) (0,-x,0;my,0,mz) (-x,0,0;0,-my,mz) 8g (x,x,0;mx,-mx,mz) (-x,x,0;mx,mx,mz) (x,-x,0;-mx,-mx,mz) (-x,-x,0;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 97.5.809 I4'2'2 UNI: 97.155 I4'2'2 BNS: 97.155 I4'2'2 Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16k (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 8j (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) 8i (x,0,1/2;0,my,mz) (0,x,1/2;my,0,-mz) (0,-x,1/2;-my,0,-mz) (-x,0,1/2;0,-my,mz) 8h (x,0,0;0,my,mz) (0,x,0;my,0,-mz) (0,-x,0;-my,0,-mz) (-x,0,0;0,-my,mz) 8g (x,x,0;mx,mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 97.6.810 I_P422 UNI: 89.94 P422.1'_I[I422] BNS: 89.94 P_I422 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x-1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x,-x-1/2,-1/4;mx,mx,-mz) (-x,x+1/2,-1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) 8i (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,-1/2;0,-mx,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1;-mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1/2,-x+1/2,0;0,mx,0) (-x+1/2,1/2,0;mx,0,0) 8h (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 8g (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8f (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (-1/2,0,-z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (-1/2,0,1/4;0,0,mz) (0,-1/2,-1/4;0,0,-mz) (-1/2,0,-1/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) 8i (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (1/2,x+1/2,0;0,-mx,0) (1/2,-x+1/2,0;0,mx,0) (-x+1/2,1/2,0;mx,0,0) 8h (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 8g (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 97.7.811 I_P4'22' UNI: 93.126 P4_222.1'_I[I422] BNS: 93.126 P_I4_222 OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8j (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,-1/4;-mx,mx,0) (x,-x-1/2,-1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x+1/2,x+1,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) 8i (x,0,1/2;mx,0,0) (1/2,x+1/2,1;0,mx,0) (1/2,-x+1/2,0;0,-mx,0) (-x,0,-1/2;-mx,0,0) (x+1/2,1/2,1;-mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,-1/2;0,mx,0) (-x+1/2,1/2,0;mx,0,0) 8h (x,0,0;mx,0,0) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 8g (x,x,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (x,-x,0;mx,mx,-mz) (-x,x,0;-mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,1/2;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (-1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,1,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (-1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) 8j (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) 8i (x,0,1/2;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,0;mx,0,0) 8h (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,x+1/2,0;0,-mx,0) (1/2,-x+1/2,0;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 8g (x,x+1/2,0;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x+1/2,-x,1/2;-mx,-mx,mz) (x,-x+1/2,0;mx,mx,-mz) (-x,x+1/2,0;-mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) 8f (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) 4e (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) 4d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) 4c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,0,0;0,0,0) 2b (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 97.8.812 I_P42'2' UNI: 90.102 P42_12.1'_I[I422] BNS: 90.102 P_I42_12 OG-BNS transformation: (1/2,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8j (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x+1,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x,x+1/2,-1/4;mx,-mx,0) (x,-x-1/2,-1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) 8i (x,0,1/2;0,my,mz) (0,x,1/2;-my,0,mz) (0,-x,1/2;my,0,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (1/2,x+1/2,0;my,0,-mz) (1/2,-x+1/2,0;-my,0,-mz) 8h (x,0,0;0,my,mz) (0,x,0;-my,0,mz) (0,-x,0;my,0,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (1/2,x+1/2,1/2;my,0,-mz) (1/2,-x+1/2,1/2;-my,0,-mz) 8g (x,x,0;mx,-mx,mz) (-x,x,0;mx,mx,mz) (x,-x,0;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,1/2;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (-1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1,3/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,0) (4z-1|1/2,1/2,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z;-my,mx,mz) (y+1/2,-x+1/2,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8j (x,x,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8i (x,0,1/4;0,my,mz) (1/2,x+1/2,1/4;-my,0,mz) (1/2,-x+1/2,1/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,3/4;my,0,-mz) (0,-x,3/4;-my,0,-mz) 8h (x,0,3/4;0,my,mz) (1/2,x+1/2,3/4;-my,0,mz) (1/2,-x+1/2,3/4;my,0,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) 8g (x,x+1/2,3/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) 8f (1/2,1/2,z;0,0,mz) (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,mz) 4e (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4d (1/2,1/2,0;0,0,0) (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4c (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,mz) (0,0,1/4;0,0,-mz) (1/2,1/2,1/4;0,0,-mz) 2b (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 2a (1/2,0,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) ---------- OG: 97.9.813 I_P4'2'2 UNI: 94.134 P4_22_12.1'_I[I422] BNS: 94.134 P_I4_22_12 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x+1,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x+1,1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) 8i (x,0,1/2;0,my,mz) (1/2,x+1/2,1;-my,0,mz) (1/2,-x+1/2,1;my,0,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,x,-1/2;my,0,-mz) (0,-x,-1/2;-my,0,-mz) 8h (x,0,0;0,my,mz) (1/2,x+1/2,1/2;-my,0,mz) (1/2,-x+1/2,1/2;my,0,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (0,x,0;my,0,-mz) (0,-x,0;-my,0,-mz) 8g (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (-1/2,0,-z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,z;0,0,-mz) (0,-1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (-1/2,0,-1/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) (-1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8j (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) 8i (x,0,1/2;0,my,mz) (1/2,x+1/2,0;-my,0,mz) (1/2,-x+1/2,0;my,0,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,x,1/2;my,0,-mz) (0,-x,1/2;-my,0,-mz) 8h (x,0,0;0,my,mz) (1/2,x+1/2,1/2;-my,0,mz) (1/2,-x+1/2,1/2;my,0,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (0,x,0;my,0,-mz) (0,-x,0;-my,0,-mz) 8g (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 98.1.814 I4_122 UNI: 98.157 I4_122.1 BNS: 98.157 I4_122 Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 8f (x,1/4,1/8;mx,0,0) (3/4,x+1/2,3/8;0,mx,0) (3/4,-x,7/8;0,-mx,0) (-x,3/4,1/8;-mx,0,0) 8e (-x,x,0;mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (x,x+1/2,1/4;-mx,-mx,0) (x,-x,0;-mx,mx,0) 8d (x,x,0;mx,mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,1/2,-z+1/4;0,0,-mz) (0,0,-z;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 98.2.815 I4_1221' UNI: 98.158 I4_122.1' BNS: 98.158 I4_1221' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (1|0,0,0)' (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16g (x,y,z;0,0,0) (-y,x+1/2,z+1/4;0,0,0) (y,-x+1/2,z+1/4;0,0,0) (x,-y+1/2,-z+1/4;0,0,0) (-x,y+1/2,-z+1/4;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) 8f (x,1/4,1/8;0,0,0) (3/4,x+1/2,3/8;0,0,0) (3/4,-x,7/8;0,0,0) (-x,3/4,1/8;0,0,0) 8e (-x,x,0;0,0,0) (-x,-x+1/2,1/4;0,0,0) (x,x+1/2,1/4;0,0,0) (x,-x,0;0,0,0) 8d (x,x,0;0,0,0) (-x,x+1/2,1/4;0,0,0) (x,-x+1/2,1/4;0,0,0) (-x,-x,0;0,0,0) 8c (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) (0,1/2,-z+1/4;0,0,0) (0,0,-z;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 98.3.816 I4_1'22' UNI: 98.159 I4_1'22' BNS: 98.159 I4_1'22' Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ (1/2,1/2,-1/2)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8f (x,1/4,1/8;mx,0,0) (3/4,x+1/2,3/8;0,-mx,0) (3/4,-x,7/8;0,mx,0) (-x,3/4,1/8;-mx,0,0) 8e (-x,x,0;mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,-mz) (x,x+1/2,1/4;-mx,mx,-mz) (x,-x,0;-mx,-mx,mz) 8d (x,x,0;mx,-mx,mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x,-x,0;-mx,mx,mz) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) (0,1/2,-z+1/4;0,0,-mz) (0,0,-z;0,0,mz) 4b (0,0,1/2;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,0;0,0,mz) (0,1/2,1/4;0,0,-mz) ---------- OG: 98.4.817 I4_12'2' UNI: 98.160 I4_12'2' BNS: 98.160 I4_12'2' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,1/2)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8f (x,1/4,1/8;0,my,mz) (3/4,x+1/2,3/8;-my,0,mz) (1/4,-x+1/2,3/8;my,0,mz) (-x,3/4,1/8;0,-my,mz) 8e (-x,x,0;mx,mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x,x+1/2,1/4;mx,-mx,mz) (x,-x,0;-mx,-mx,mz) 8d (x,x,0;mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (-x,-x,0;-mx,mx,mz) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,1/2,-z+1/4;0,0,mz) (0,0,-z;0,0,mz) 4b (0,0,1/2;0,0,mz) (0,1/2,3/4;0,0,mz) 4a (0,0,0;0,0,mz) (0,1/2,1/4;0,0,mz) ---------- OG: 98.5.818 I4_1'2'2 UNI: 98.161 I4_1'2'2 BNS: 98.161 I4_1'2'2 Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) 8f (x,1/4,1/8;0,my,mz) (1/4,x,7/8;my,0,-mz) (3/4,-x,7/8;-my,0,-mz) (-x,3/4,1/8;0,-my,mz) 8e (-x,x,0;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (x,-x,0;-mx,mx,0) 8d (x,x,0;mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 8c (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) (0,1/2,-z+1/4;0,0,mz) (0,0,-z;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 98.6.819 I_P4_122 UNI: 91.110 P4_122.1'_I[I4_122] BNS: 91.110 P_I4_122 OG-BNS transformation: (1/4,-1/4,1/8;b,-a,c) Operators (OG): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|1/2,1,3/4) (2x|0,1/2,1/4) (2y|1/2,1,3/4) (2z|1/2,1/2,1/2) (2xy|1/2,1/2,1/2) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1,3/4)' (4z-1|0,1/2,1/4)' (2x|1/2,1,3/4)' (2y|0,1/2,1/4)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1,z+3/4;my,-mx,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1,-z+3/4;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1,z+3/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (x+1/2,-y+1,-z+3/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8f (x,1/4,1/8;mx,0,0) (3/4,x+1/2,3/8;0,mx,0) (3/4,-x+1,7/8;0,-mx,0) (-x+1/2,5/4,5/8;-mx,0,0) (x+1/2,3/4,5/8;-mx,0,0) (1/4,x,-1/8;0,-mx,0) (1/4,-x+1/2,3/8;0,mx,0) (-x,3/4,1/8;mx,0,0) 8e (x,-x,0;mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (-x+1/2,-x+1,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (-x,x,0;mx,-mx,0) 8d (x,x,0;mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,mz) (x+1/2,-x+1,3/4;-mx,-mx,mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x+1/2,x+1,3/4;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x,-x,0;mx,-mx,-mz) 8c (0,0,z;mx,my,0) (0,1/2,z+1/4;-my,mx,0) (1/2,1,z+3/4;my,-mx,0) (0,1/2,-z+1/4;mx,-my,0) (1/2,1,-z+3/4;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/2;my,mx,0) (0,0,-z;-my,-mx,0) 4b (0,0,1/2;mx,-mx,0) (0,1/2,-1/4;mx,mx,0) (1/2,1,1/4;-mx,-mx,0) (1/2,1/2,1;-mx,mx,0) 4a (0,0,0;mx,-mx,0) (0,1/2,1/4;mx,mx,0) (1/2,1,3/4;-mx,-mx,0) (1/2,1/2,1/2;-mx,mx,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/4) (4z-1|0,0,3/4) (2y|0,0,0) (2x|0,0,1/2) (2z|0,0,1/2) (2-xy|0,0,1/4) (2xy|0,0,3/4) (1|1/2,1/2,1/2)' (4z|1/2,1/2,3/4)' (4z-1|1/2,1/2,1/4)' (2y|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2z|1/2,1/2,0)' (2-xy|1/2,1/2,3/4)' (2xy|1/2,1/2,1/4)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z+1/4;-my,mx,mz) (y,-x,z+3/4;my,-mx,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+1/4;-my,-mx,-mz) (y,x,-z+3/4;my,mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/4;my,-mx,-mz) (y+1/2,-x+1/2,z+1/4;-my,mx,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,-z+3/4;my,mx,mz) (y+1/2,x+1/2,-z+1/4;-my,-mx,mz) 8f (1/2,y,0;0,my,0) (-y,1/2,1/4;-my,0,0) (y,1/2,3/4;my,0,0) (1/2,-y,1/2;0,-my,0) (0,y+1/2,1/2;0,-my,0) (-y+1/2,0,3/4;my,0,0) (y+1/2,0,1/4;-my,0,0) (0,-y+1/2,0;0,my,0) 8e (x,x,7/8;mx,mx,0) (-x,x,1/8;-mx,mx,0) (x,-x,5/8;mx,-mx,0) (-x,-x,3/8;-mx,-mx,0) (x+1/2,x+1/2,3/8;-mx,-mx,0) (-x+1/2,x+1/2,5/8;mx,-mx,0) (x+1/2,-x+1/2,1/8;-mx,mx,0) (-x+1/2,-x+1/2,7/8;mx,mx,0) 8d (x,-x+1/2,7/8;mx,mx,mz) (x+1/2,x,1/8;-mx,mx,mz) (-x+1/2,-x,5/8;mx,-mx,mz) (-x,-x+1/2,1/8;-mx,mx,-mz) (x,x+1/2,5/8;mx,-mx,-mz) (-x,x+1/2,3/8;-mx,-mx,mz) (x+1/2,-x,3/8;-mx,-mx,-mz) (-x+1/2,x,7/8;mx,mx,-mz) 8c (1/4,1/4,z;mx,my,0) (3/4,1/4,z+1/4;-my,mx,0) (1/4,3/4,z+3/4;my,-mx,0) (3/4,1/4,-z;-mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (3/4,3/4,z+1/2;-mx,-my,0) (3/4,3/4,-z+1/4;-my,-mx,0) (1/4,1/4,-z+3/4;my,mx,0) 4b (1/4,1/4,3/8;mx,mx,0) (3/4,1/4,5/8;-mx,mx,0) (1/4,3/4,1/8;mx,-mx,0) (3/4,3/4,7/8;-mx,-mx,0) 4a (1/4,1/4,7/8;mx,mx,0) (3/4,1/4,1/8;-mx,mx,0) (1/4,3/4,5/8;mx,-mx,0) (3/4,3/4,3/8;-mx,-mx,0) ---------- OG: 98.7.820 I_P4_1'22' UNI: 95.142 P4_322.1'_I[I4_122] BNS: 95.142 P_I4_322 OG-BNS transformation: (1/4,1/4,1/8;b,-a,c) Operators (OG): (1|0,0,0) (4z|1/2,1,3/4) (4z-1|0,1/2,1/4) (2x|0,1/2,1/4) (2y|1/2,1,3/4) (2z|1/2,1/2,1/2) (2xy|0,0,0) (2-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,1/4)' (4z-1|1/2,1,3/4)' (2x|1/2,1,3/4)' (2y|0,1/2,1/4)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1,z+3/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1,-z+3/4;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1,z+3/4;-my,mx,-mz) (x+1/2,-y+1,-z+3/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8f (x,1/4,1/8;mx,0,0) (1/4,x,-1/8;0,mx,0) (1/4,-x+1/2,3/8;0,-mx,0) (-x+1/2,5/4,5/8;-mx,0,0) (x+1/2,3/4,5/8;-mx,0,0) (3/4,x+1/2,3/8;0,-mx,0) (3/4,-x+1,7/8;0,mx,0) (-x,3/4,1/8;mx,0,0) 8e (x,-x,0;mx,mx,mz) (x+1/2,x+1,3/4;-mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,mz) (x,x+1/2,1/4;mx,-mx,-mz) (-x+1/2,-x+1,3/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,0;mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,-mz) 8d (x,x,0;mx,mx,0) (-x+1/2,x+1,3/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1,3/4;-mx,mx,0) (-x,-x,0;mx,mx,0) 8c (0,0,z;mx,my,0) (1/2,1,z+3/4;-my,mx,0) (0,1/2,z+1/4;my,-mx,0) (0,1/2,-z+1/4;mx,-my,0) (1/2,1,-z+3/4;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;my,mx,0) (1/2,1/2,-z+1/2;-my,-mx,0) 4b (0,0,1/2;mx,mx,0) (1/2,1,1/4;-mx,mx,0) (0,1/2,-1/4;mx,-mx,0) (1/2,1/2,1;-mx,-mx,0) 4a (0,0,0;mx,mx,0) (1/2,1,3/4;-mx,mx,0) (0,1/2,1/4;mx,-mx,0) (1/2,1/2,1/2;-mx,-mx,0) Operators (BNS): (1|0,0,0) (4z|0,0,3/4) (4z-1|0,0,1/4) (2y|0,0,0) (2x|0,0,1/2) (2z|0,0,1/2) (2-xy|0,0,3/4) (2xy|0,0,1/4) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/4)' (4z-1|1/2,1/2,3/4)' (2y|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2z|1/2,1/2,0)' (2-xy|1/2,1/2,1/4)' (2xy|1/2,1/2,3/4)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z+3/4;-my,mx,mz) (y,-x,z+1/4;my,-mx,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (-y,-x,-z+3/4;-my,-mx,-mz) (y,x,-z+1/4;my,mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1/2,z+3/4;-my,mx,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,-z+1/4;my,mx,mz) (y+1/2,x+1/2,-z+3/4;-my,-mx,mz) 8f (0,y,0;0,my,0) (-y,0,3/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/2;0,-my,0) (1/2,y+1/2,1/2;0,-my,0) (-y+1/2,1/2,1/4;my,0,0) (y+1/2,1/2,3/4;-my,0,0) (1/2,-y+1/2,0;0,my,0) 8e (x,x+1/2,7/8;mx,-mx,mz) (-x+1/2,x,5/8;mx,mx,mz) (x+1/2,-x,1/8;-mx,-mx,mz) (-x,x+1/2,1/8;-mx,-mx,-mz) (x,-x+1/2,5/8;mx,mx,-mz) (-x,-x+1/2,3/8;-mx,mx,mz) (-x+1/2,-x,7/8;mx,-mx,-mz) (x+1/2,x,3/8;-mx,mx,-mz) 8d (x,-x,7/8;mx,-mx,0) (x,x,5/8;mx,mx,0) (-x,-x,1/8;-mx,-mx,0) (-x,x,3/8;-mx,mx,0) (x+1/2,-x+1/2,3/8;-mx,mx,0) (x+1/2,x+1/2,1/8;-mx,-mx,0) (-x+1/2,-x+1/2,5/8;mx,mx,0) (-x+1/2,x+1/2,7/8;mx,-mx,0) 8c (3/4,1/4,z;mx,my,0) (3/4,3/4,z+3/4;-my,mx,0) (1/4,1/4,z+1/4;my,-mx,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (1/4,3/4,z+1/2;-mx,-my,0) (3/4,1/4,-z+3/4;-my,-mx,0) (1/4,3/4,-z+1/4;my,mx,0) 4b (3/4,1/4,3/8;mx,-mx,0) (3/4,3/4,1/8;mx,mx,0) (1/4,1/4,5/8;-mx,-mx,0) (1/4,3/4,7/8;-mx,mx,0) 4a (3/4,1/4,7/8;mx,-mx,0) (3/4,3/4,5/8;mx,mx,0) (1/4,1/4,1/8;-mx,-mx,0) (1/4,3/4,3/8;-mx,mx,0) ---------- OG: 98.8.821 I_P4_12'2' UNI: 92.118 P4_12_12.1'_I[I4_122] BNS: 92.118 P_I4_12_12 OG-BNS transformation: (1/4,1/4,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|1/2,1,3/4) (2x|1/2,1,3/4) (2y|0,1/2,1/4) (2z|1/2,1/2,1/2) (2xy|0,0,0) (2-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1,3/4)' (4z-1|0,1/2,1/4)' (2x|0,1/2,1/4)' (2y|1/2,1,3/4)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1,z+3/4;my,-mx,mz) (x+1/2,-y+1,-z+3/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1,z+3/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x+1/2,y+1,-z+3/4;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z;my,mx,mz) 8f (x,1/4,1/8;0,my,mz) (-1/4,x+1/2,3/8;-my,0,mz) (3/4,-x+1,7/8;my,0,mz) (x+1/2,3/4,5/8;0,-my,-mz) (-x,3/4,1/8;0,my,-mz) (-x+1/2,1/4,5/8;0,-my,mz) (1/4,x,-1/8;my,0,-mz) (1/4,-x+1/2,3/8;-my,0,-mz) 8e (x,-x,0;mx,mx,mz) (x,x+1/2,1/4;-mx,mx,mz) (-x+1/2,-x+1,3/4;mx,-mx,mz) (x+1/2,x+1,3/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,0;mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,-mz) 8d (x,x,0;mx,mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,-x+1,3/4;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1,3/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,-x,0;mx,mx,0) 8c (0,0,z;mx,my,0) (0,1/2,z+1/4;-my,mx,0) (1/2,1,z+3/4;my,-mx,0) (1/2,1,-z+3/4;mx,-my,0) (0,1/2,-z+1/4;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,0,-z;my,mx,0) (1/2,1/2,-z+1/2;-my,-mx,0) 4b (0,0,1/2;mx,mx,0) (0,1/2,-1/4;-mx,mx,0) (1/2,1,1/4;mx,-mx,0) (1/2,1/2,1;-mx,-mx,0) 4a (0,0,0;mx,mx,0) (0,1/2,1/4;-mx,mx,0) (1/2,1,3/4;mx,-mx,0) (1/2,1/2,1/2;-mx,-mx,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/4) (4z-1|1/2,1/2,3/4) (2x|1/2,1/2,3/4) (2y|1/2,1/2,1/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,0,3/4)' (4z-1|0,0,1/4)' (2x|0,0,1/4)' (2y|0,0,3/4)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/4;-my,mx,mz) (y+1/2,-x+1/2,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z+3/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z+3/4;my,-mx,-mz) (y,-x,z+1/4;-my,mx,-mz) (x,-y,-z+1/4;-mx,my,mz) (-x,y,-z+3/4;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) 8f (x,0,1/8;0,my,mz) (1/2,x+1/2,3/8;-my,0,mz) (1/2,-x+1/2,7/8;my,0,mz) (x+1/2,1/2,5/8;0,-my,-mz) (-x+1/2,1/2,1/8;0,my,-mz) (-x,0,5/8;0,-my,mz) (0,x,7/8;my,0,-mz) (0,-x,3/8;-my,0,-mz) 8e (x,-x+1/2,0;mx,mx,mz) (x,x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,x,3/4;mx,-mx,-mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (-x,x+1/2,1/2;-mx,-mx,mz) (-x+1/2,x,0;mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) 8d (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x,3/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) 8c (3/4,3/4,z;mx,my,0) (3/4,1/4,z+1/4;-my,mx,0) (1/4,3/4,z+3/4;my,-mx,0) (1/4,3/4,-z+3/4;mx,-my,0) (3/4,1/4,-z+1/4;-mx,my,0) (1/4,1/4,z+1/2;-mx,-my,0) (3/4,3/4,-z;my,mx,0) (1/4,1/4,-z+1/2;-my,-mx,0) 4b (3/4,3/4,1/2;mx,mx,0) (3/4,1/4,3/4;-mx,mx,0) (1/4,3/4,1/4;mx,-mx,0) (1/4,1/4,0;-mx,-mx,0) 4a (3/4,3/4,0;mx,mx,0) (3/4,1/4,1/4;-mx,mx,0) (1/4,3/4,3/4;mx,-mx,0) (1/4,1/4,1/2;-mx,-mx,0) ---------- OG: 98.9.822 I_P4_1'2'2 UNI: 96.150 P4_32_12.1'_I[I4_122] BNS: 96.150 P_I4_32_12 OG-BNS transformation: (1/4,-1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1,3/4) (4z-1|0,1/2,1/4) (2x|1/2,1,3/4) (2y|0,1/2,1/4) (2z|1/2,1/2,1/2) (2xy|1/2,1/2,1/2) (2-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,1/2,1/4)' (4z-1|1/2,1,3/4)' (2x|0,1/2,1/4)' (2y|1/2,1,3/4)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x+1,z+3/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (x+1/2,-y+1,-z+3/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x+1/2,-y+1/2,z+1/2;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y+1/2,-x+1,z+3/4;-my,mx,-mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x+1/2,y+1,-z+3/4;mx,-my,mz) (-x,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) 8f (x,1/4,1/8;0,my,mz) (1/4,x+1,7/8;-my,0,mz) (1/4,-x+1/2,3/8;my,0,mz) (x+1/2,3/4,5/8;0,-my,-mz) (-x,3/4,1/8;0,my,-mz) (-x+1/2,1/4,5/8;0,-my,mz) (3/4,x+1/2,3/8;my,0,-mz) (-1/4,-x,-1/8;-my,0,-mz) 8e (x,-x,0;mx,-mx,0) (x+1/2,x+1,3/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (x,x+1/2,1/4;-mx,-mx,0) (-x+1/2,-x+1,3/4;mx,mx,0) (-x,x,0;mx,-mx,0) 8d (x,x,0;mx,-mx,mz) (-x+1/2,x+1,3/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,-x+1,3/4;mx,mx,-mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x,-x,0;mx,-mx,-mz) 8c (0,0,z;mx,my,0) (1/2,1,z+3/4;-my,mx,0) (0,1/2,z+1/4;my,-mx,0) (1/2,1,-z+3/4;mx,-my,0) (0,1/2,-z+1/4;-mx,my,0) (1/2,1/2,z+1/2;-mx,-my,0) (1/2,1/2,-z+1/2;my,mx,0) (0,0,-z;-my,-mx,0) 4b (0,0,1/2;mx,-mx,0) (1/2,1,1/4;mx,mx,0) (0,1/2,-1/4;-mx,-mx,0) (1/2,1/2,1;-mx,mx,0) 4a (0,0,0;mx,-mx,0) (1/2,1,3/4;mx,mx,0) (0,1/2,1/4;-mx,-mx,0) (1/2,1/2,1/2;-mx,mx,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,3/4) (4z-1|1/2,1/2,1/4) (2x|1/2,1/2,1/4) (2y|1/2,1/2,3/4) (2z|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,0,1/4)' (4z-1|0,0,3/4)' (2x|0,0,3/4)' (2y|0,0,1/4)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+3/4;-my,mx,mz) (y+1/2,-x+1/2,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z+1/4;mx,-my,-mz) (-x+1/2,y+1/2,-z+3/4;-mx,my,-mz) (-x,-y,z+1/2;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z+1/4;my,-mx,-mz) (y,-x,z+3/4;-my,mx,-mz) (x,-y,-z+3/4;-mx,my,mz) (-x,y,-z+1/4;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) 8f (x,1/2,7/8;0,my,mz) (0,x+1/2,5/8;-my,0,mz) (0,-x+1/2,1/8;my,0,mz) (x+1/2,0,3/8;0,-my,-mz) (-x+1/2,0,7/8;0,my,-mz) (-x,1/2,3/8;0,-my,mz) (1/2,x,1/8;my,0,-mz) (1/2,-x,5/8;-my,0,-mz) 8e (x,-x,3/4;mx,-mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,x,1/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (x,x,0;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) 8d (x,x+1/2,3/4;mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,-mz) (-x+1/2,x,0;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) 8c (3/4,1/4,z;mx,my,0) (1/4,1/4,z+3/4;-my,mx,0) (3/4,3/4,z+1/4;my,-mx,0) (1/4,1/4,-z+1/4;mx,-my,0) (3/4,3/4,-z+3/4;-mx,my,0) (1/4,3/4,z+1/2;-mx,-my,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z+1/2;-my,-mx,0) 4b (3/4,1/4,1/4;mx,-mx,0) (1/4,1/4,0;mx,mx,0) (3/4,3/4,1/2;-mx,-mx,0) (1/4,3/4,3/4;-mx,mx,0) 4a (3/4,1/4,3/4;mx,-mx,0) (1/4,1/4,1/2;mx,mx,0) (3/4,3/4,0;-mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) ---------- OG: 99.1.823 P4mm UNI: 99.163 P4mm.1 BNS: 99.163 P4mm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4f (x,1/2,z;0,my,0) (1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (-x,1/2,z;0,-my,0) 4e (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) 4d (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 2c (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 99.2.824 P4mm1' UNI: 99.164 P4mm.1' BNS: 99.164 P4mm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 4f (x,1/2,z;0,0,0) (1/2,x,z;0,0,0) (1/2,-x,z;0,0,0) (-x,1/2,z;0,0,0) 4e (x,0,z;0,0,0) (0,x,z;0,0,0) (0,-x,z;0,0,0) (-x,0,z;0,0,0) 4d (x,x,z;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (-x,-x,z;0,0,0) 2c (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 99.3.825 P4'm'm UNI: 99.165 P4'm'm BNS: 99.165 P4'm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4f (x,1/2,z;mx,0,mz) (1/2,x,z;0,-mx,-mz) (1/2,-x,z;0,mx,-mz) (-x,1/2,z;-mx,0,mz) 4e (x,0,z;mx,0,mz) (0,x,z;0,-mx,-mz) (0,-x,z;0,mx,-mz) (-x,0,z;-mx,0,mz) 4d (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x,-x,z;-mx,mx,0) 2c (1/2,0,z;0,0,mz) (0,1/2,z;0,0,-mz) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 99.4.826 P4'mm' UNI: 99.166 P4'mm' BNS: 99.166 P4'mm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4f (x,1/2,z;0,my,0) (1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (-x,1/2,z;0,-my,0) 4e (x,0,z;0,my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x,0,z;0,-my,0) 4d (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 2c (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 1b (1/2,1/2,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 99.5.827 P4m'm' UNI: 99.167 P4m'm' BNS: 99.167 P4m'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4f (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (-x,1/2,z;-mx,0,mz) 4e (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) 4d (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 2c (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) 1b (1/2,1/2,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 99.6.828 P_2c4mm UNI: 99.168 P4mm.1'_c[P4mm] BNS: 99.168 P_c4mm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 8f (x,1/2,z;0,my,0) (-1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z+1;my,0,0) (1/2,-x,z+1;-my,0,0) (-x,-1/2,z+1;0,my,0) 8e (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (0,x,z+1;my,0,0) (0,-x,z+1;-my,0,0) (-x,0,z+1;0,my,0) 8d (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z+1;-mx,-mx,0) (x,-x,z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 4c (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1;0,0,0) (0,1/2,z+1;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,1/2,z;0,my,0) (1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (-x,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (1/2,x,z+1/2;my,0,0) (1/2,-x,z+1/2;-my,0,0) (-x,1/2,z+1/2;0,my,0) 8e (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (0,x,z+1/2;my,0,0) (0,-x,z+1/2;-my,0,0) (-x,0,z+1/2;0,my,0) 8d (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) 4c (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 99.7.829 P_P4mm UNI: 99.169 P4mm.1'_C[rP4mm] BNS: 99.169 P_C4mm OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 8e (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (1,x,z;my,0,0) (1,-x,z;-my,0,0) (-x+1,0,z;0,my,0) 8d (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z;-mx,-mx,0) (x+1,-x,z;mx,mx,0) (-x+1,-x,z;mx,-mx,0) 4c (1/2,0,z;0,my,0) (0,1/2,z;-my,0,0) (0,-1/2,z;my,0,0) (-1/2,0,z;0,-my,0) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (my|0,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8f (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) 8e (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (-x+1/2,-x+1/2,z;mx,-mx,0) 8d (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (-y+1/2,1/2,z;0,-mx,0) (y+1/2,1/2,z;0,mx,0) (1/2,-y+1/2,z;mx,0,0) 4c (1/4,1/4,z;mx,-mx,0) (3/4,1/4,z;mx,mx,0) (1/4,3/4,z;-mx,-mx,0) (3/4,3/4,z;-mx,mx,0) 2b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 99.8.830 P_I4mm UNI: 107.232 I4mm.1'_c[rP4mm] BNS: 107.232 I_c4mm OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16f (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 16e (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (0,x,z+1;my,0,0) (0,-x,z+1;-my,0,0) (-x,0,z+1;0,my,0) 16d (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z+1;-mx,-mx,0) (x,-x,z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 8c (1/2,0,z;0,my,0) (0,1/2,z;-my,0,0) (0,-1/2,z;my,0,0) (-1/2,0,z;0,-my,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (my|0,0,0) (mx|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 16f (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) 16e (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) 16d (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (-y,0,z+1/2;0,-mx,0) (y,0,z+1/2;0,mx,0) (0,-y,z+1/2;mx,0,0) 8c (1/4,1/4,z;mx,-mx,0) (3/4,1/4,z;mx,mx,0) (1/4,3/4,z;-mx,-mx,0) (3/4,3/4,z;-mx,mx,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 99.9.831 P_2c4'm'm UNI: 101.184 P4_2cm.1'_c[P4mm] BNS: 101.184 P_c4_2cm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (-1/2,x,z+1;0,mx,mz) (1/2,-x,z+1;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 8e (x,0,z;mx,0,mz) (0,x,z+1;0,mx,mz) (0,-x,z+1;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 8d (x,x,z;mx,-mx,0) (-x,x,z+1;mx,mx,0) (x,-x,z+1;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 4c (1/2,0,z;0,0,mz) (0,1/2,z+1;0,0,mz) (-1/2,0,z+1;0,0,-mz) (0,1/2,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (1/2,x,z+1/2;0,mx,mz) (1/2,-x,z+1/2;0,-mx,mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 8e (x,0,z;mx,0,mz) (0,x,z+1/2;0,mx,mz) (0,-x,z+1/2;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 8d (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) 4c (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 99.10.832 P_2c4'mm' UNI: 105.216 P4_2mc.1'_c[P4mm] BNS: 105.216 P_c4_2mc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8f (x,1/2,z;0,my,0) (-1/2,x,z+1;-my,0,0) (1/2,-x,z+1;my,0,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (-x,-1/2,z+1;0,my,0) 8e (x,0,z;0,my,0) (0,x,z+1;-my,0,0) (0,-x,z+1;my,0,0) (-x,0,z;0,-my,0) (x,0,z+1;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x,0,z+1;0,my,0) 8d (x,x,z;mx,mx,mz) (-x,x,z+1;-mx,mx,mz) (x,-x,z+1;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 4c (1/2,0,z;0,0,0) (0,1/2,z+1;0,0,0) (1/2,0,z+1;0,0,0) (0,1/2,z;0,0,0) 2b (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8f (x,1/2,z;0,my,0) (1/2,x,z+1/2;-my,0,0) (1/2,-x,z+1/2;my,0,0) (-x,1/2,z;0,-my,0) (x,1/2,z+1/2;0,-my,0) (1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (-x,1/2,z+1/2;0,my,0) 8e (x,0,z;0,my,0) (0,x,z+1/2;-my,0,0) (0,-x,z+1/2;my,0,0) (-x,0,z;0,-my,0) (x,0,z+1/2;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x,0,z+1/2;0,my,0) 8d (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 4c (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 99.11.833 P_2c4m'm' UNI: 103.200 P4cc.1'_c[P4mm] BNS: 103.200 P_c4cc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (-1/2,-x,z+1;0,mx,-mz) (1/2,x,z+1;0,-mx,-mz) 8e (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (0,-x,z+1;0,mx,-mz) (0,x,z+1;0,-mx,-mz) 8d (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z+1;mx,-mx,-mz) (x,-x,z+1;-mx,mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 4c (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (-x,1/2,z;-mx,0,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (1/2,-x,z+1/2;0,mx,-mz) (1/2,x,z+1/2;0,-mx,-mz) 8e (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (0,-x,z+1/2;0,mx,-mz) (0,x,z+1/2;0,-mx,-mz) 8d (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 4c (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 99.12.834 P_P4'mm' UNI: 100.177 P4bm.1'_C[rP4mm] BNS: 100.177 P_C4bm OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8f (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (3/2,-x,z;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (1/2,-x,z;0,mx,-mz) (3/2,x,z;0,-mx,-mz) 8e (x,0,z;0,my,0) (1,x,z;-my,0,0) (1,-x,z;my,0,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x+1,0,z;0,my,0) 8d (x,x,z;mx,mx,mz) (-x+1,x,z;-mx,mx,mz) (x+1,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 4c (1/2,0,z;0,my,0) (1,1/2,z;-my,0,0) (1,-1/2,z;my,0,0) (-1/2,0,z;0,-my,0) 2b (1/2,1/2,z;0,0,mz) (3/2,1/2,z;0,0,-mz) 2a (0,0,z;0,0,0) (1,0,z;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 16g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 8f (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,-x+1/2,z;mx,mx,-mz) (x+1/2,x+1/2,z;-mx,-mx,-mz) (x+1/2,-x+1/2,z;-mx,mx,-mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) 8e (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,x+1/2,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (-x+1/2,-x,z;mx,-mx,0) 8d (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,z;0,-my,mz) (-y+1/2,1/2,z;my,0,-mz) (y+1/2,1/2,z;-my,0,-mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 4c (1/4,3/4,z;mx,-mx,0) (1/4,1/4,z;mx,mx,0) (3/4,3/4,z;-mx,-mx,0) (3/4,1/4,z;-mx,mx,0) 2b (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2a (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 99.13.835 P_I4m'm' UNI: 108.238 I4cm.1'_c[rP4mm] BNS: 108.238 I_c4cm OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1) (my|0,0,1) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16f (x,1/2,z;0,my,0) (-1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (-x,-1/2,z;0,-my,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z+1;my,0,0) (1/2,-x,z+1;-my,0,0) (-x,-1/2,z+1;0,my,0) 16e (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (0,-x,z+1;0,mx,-mz) (0,x,z+1;0,-mx,-mz) 16d (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z+1;mx,-mx,-mz) (x,-x,z+1;-mx,mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 8c (1/2,0,z;mx,0,0) (0,1/2,z;0,mx,0) (0,-1/2,z;0,-mx,0) (-1/2,0,z;-mx,0,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (my|0,0,1/2) (mx|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 16f (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) 16e (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,x,z+1/2;mx,-mx,-mz) 16d (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,z;0,-my,mz) (-y,0,z+1/2;my,0,-mz) (y,0,z+1/2;-my,0,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,z+1/2;0,-my,-mz) 8c (1/4,1/4,z;mx,mx,0) (3/4,1/4,z;-mx,mx,0) (1/4,3/4,z;mx,-mx,0) (3/4,3/4,z;-mx,-mx,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 100.1.836 P4bm UNI: 100.171 P4bm.1 BNS: 100.171 P4bm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 4c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) 2b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) ---------- OG: 100.2.837 P4bm1' UNI: 100.172 P4bm.1' BNS: 100.172 P4bm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y+1/2,x+1/2,z;0,0,0) 4c (x,x+1/2,z;0,0,0) (-x+1/2,x,z;0,0,0) (x+1/2,-x,z;0,0,0) (-x,-x+1/2,z;0,0,0) 2b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 100.3.838 P4'b'm UNI: 100.173 P4'b'm BNS: 100.173 P4'b'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 4c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) 2b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 100.4.839 P4'bm' UNI: 100.174 P4'bm' BNS: 100.174 P4'bm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 4c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) 2b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z;0,0,0) ---------- OG: 100.5.840 P4b'm' UNI: 100.175 P4b'm' BNS: 100.175 P4b'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 4c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) 2b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) ---------- OG: 100.6.841 P_2c4bm UNI: 100.176 P4bm.1'_c[P4bm] BNS: 100.176 P_c4bm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x,x+1/2,z+1;-mx,mx,0) (-x-1/2,x,z+1;-mx,-mx,0) (x+1/2,-x,z+1;mx,mx,0) (-x,-x-1/2,z+1;mx,-mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1;0,0,0) (0,1/2,z+1;0,0,0) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 100.7.842 P_2c4'b'm UNI: 102.192 P4_2nm.1'_c[P4bm] BNS: 102.192 P_c4_2nm OG-BNS transformation: (0,1/2,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16d (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z+1;mx,mx,0) (x+1/2,-x,z+1;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x,x+1/2,z+1;-mx,mx,0) (-x-1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (-x,-x-1/2,z+1;mx,-mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z+1;0,0,0) (1/2,0,z+1;0,0,0) (0,1/2,z;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) (1/2,1/2,z+1;0,0,0) (1/2,1/2,z;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) 4b (1/2,1/2,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,z;0,0,0) 4a (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,z;0,0,0) ---------- OG: 100.8.843 P_2c4'bm' UNI: 106.224 P4_2bc.1'_c[P4bm] BNS: 106.224 P_c4_2bc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16d (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z+1;-mx,mx,mz) (x+1/2,-x,z+1;mx,-mx,mz) (-x,-x-1/2,z;-mx,-mx,mz) (-x+1/2,x+1,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1,x+1/2,z+1;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z+1;0,0,mz) (0,1/2,z;0,0,-mz) (1/2,1,z+1;0,0,-mz) 4a (0,0,z;0,0,0) (0,0,z+1;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (0,1/2,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 100.9.844 P_2c4b'm' UNI: 104.208 P4nc.1'_c[P4bm] BNS: 104.208 P_c4nc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2z|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x-1/2,z;-mx,-mx,mz) (-x+1/2,x+1,z+1;mx,-mx,-mz) (x+1/2,-x,z+1;-mx,mx,-mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1,x+1/2,z+1;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (0,1/2,z+1;0,0,-mz) (1/2,1,z+1;0,0,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 101.1.845 P4_2cm UNI: 101.179 P4_2cm.1 BNS: 101.179 P4_2cm Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4d (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 101.2.846 P4_2cm1' UNI: 101.180 P4_2cm.1' BNS: 101.180 P4_2cm1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 4d (x,x,z;0,0,0) (-x,x,z+1/2;0,0,0) (x,-x,z+1/2;0,0,0) (-x,-x,z;0,0,0) 4c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 101.3.847 P4_2'c'm UNI: 101.181 P4_2'c'm BNS: 101.181 P4_2'c'm Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4d (x,x,z;mx,-mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 101.4.848 P4_2'cm' UNI: 101.182 P4_2'cm' BNS: 101.182 P4_2'cm' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4d (x,x,z;mx,mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 101.5.849 P4_2c'm' UNI: 101.183 P4_2c'm' BNS: 101.183 P4_2c'm' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4d (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 101.6.850 P_P4_2cm UNI: 105.217 P4_2mc.1'_C[rP4_2cm] BNS: 105.217 P_C4_2mc OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 8d (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z+1/2;-mx,-mx,0) (x+1,-x,z+1/2;mx,mx,0) (-x+1,-x,z;mx,-mx,0) 8c (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1/2;0,0,0) (3/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (my|0,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8d (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,z;mx,0,0) 8c (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;my,mx,0) (1/4,3/4,z+1/2;-my,-mx,0) (3/4,3/4,z;-mx,my,0) (1/4,1/4,z;mx,-my,0) 4b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 101.7.851 P_P4_2'cm' UNI: 106.225 P4_2bc.1'_C[rP4_2cm] BNS: 106.225 P_C4_2bc OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,x,z;mx,mx,mz) (-x+1,x,z+1/2;-mx,mx,mz) (x+1,-x,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 8c (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-my,mx,0) (3/2,0,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1/2,0,z;my,mx,0) (3/2,0,z;-my,-mx,0) 4b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,-1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) 4a (0,0,z;0,0,mz) (1,0,z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 8d (0,y,z;0,my,mz) (-y,0,z+1/2;-my,0,mz) (y,0,z+1/2;my,0,mz) (0,-y,z;0,-my,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 8c (3/4,3/4,z;mx,my,0) (1/4,3/4,z+1/2;-my,mx,0) (3/4,1/4,z+1/2;my,-mx,0) (1/4,1/4,z;-mx,-my,0) (3/4,3/4,z+1/2;my,mx,0) (1/4,1/4,z+1/2;-my,-mx,0) (1/4,3/4,z;-mx,my,0) (3/4,1/4,z;mx,-my,0) 4b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) 4a (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) ---------- OG: 102.1.852 P4_2nm UNI: 102.187 P4_2nm.1 BNS: 102.187 P4_2nm Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 102.2.853 P4_2nm1' UNI: 102.188 P4_2nm.1' BNS: 102.188 P4_2nm1' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 4c (x,x,z;0,0,0) (-x+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-x+1/2,z+1/2;0,0,0) (-x,-x,z;0,0,0) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 102.3.854 P4_2'n'm UNI: 102.189 P4_2'n'm BNS: 102.189 P4_2'n'm Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 102.4.855 P4_2'nm' UNI: 102.190 P4_2'nm' BNS: 102.190 P4_2'nm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4c (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 102.5.856 P4_2n'm' UNI: 102.191 P4_2n'm' BNS: 102.191 P4_2n'm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4c (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 102.6.857 P_I4_2nm UNI: 109.244 I4_1md.1'_c[rP4_2nm] BNS: 109.244 I_c4_1md OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|1/2,1/2,3/2)' (4z-1|1/2,1/2,3/2)' (2z|0,0,1)' (mx|1/2,1/2,3/2)' (my|1/2,1/2,3/2)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/2;my,-mx,-mz) (y+1/2,-x+1/2,z+3/2;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+3/2;-mx,my,mz) (x+1/2,-y+1/2,z+3/2;mx,-my,mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (-x+1/2,x+1/2,z+3/2;-mx,-mx,0) (x+1/2,-x+1/2,z+3/2;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 16b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-my,mx,0) (1,1/2,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 8a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,z+1;0,0,0) (1/2,1/2,z+3/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) (my|0,0,0) (mx|0,0,0) (1|0,0,1/2)' (4z|1/2,0,1/4)' (4z-1|1/2,0,1/4)' (2z|0,0,1/2)' (mxy|1/2,0,1/4)' (m-xy|1/2,0,1/4)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32d (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/4;my,-mx,-mz) (y+1/2,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-y+1/2,-x,z+1/4;-my,-mx,mz) (y+1/2,x,z+1/4;my,mx,mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 16c (0,y,z;mx,0,0) (-y,1/2,z+1/4;0,mx,0) (y,1/2,z+1/4;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (-y+1/2,0,z+1/4;0,-mx,0) (y+1/2,0,z+1/4;0,mx,0) (0,-y,z+1/2;mx,0,0) 16b (3/4,1/4,z;mx,my,0) (3/4,1/4,z+1/4;-my,mx,0) (1/4,3/4,z+1/4;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,3/4,z+1/4;my,mx,0) (1/4,1/4,z+1/4;-my,-mx,0) (3/4,3/4,z;-mx,my,0) (1/4,1/4,z;mx,-my,0) 8a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) (0,0,z+1/2;0,0,0) (1/2,0,z+1/4;0,0,0) ---------- OG: 102.7.858 P_I4_2n'm' UNI: 110.250 I4_1cd.1'_c[rP4_2nm] BNS: 110.250 I_c4_1cd OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,3/2) (my|1/2,1/2,3/2) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|1/2,1/2,3/2)' (4z-1|1/2,1/2,3/2)' (2z|0,0,1)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+3/2;mx,-my,-mz) (x+1/2,-y+1/2,z+3/2;-mx,my,-mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x+1/2,z+3/2;my,-mx,-mz) (y+1/2,-x+1/2,z+3/2;-my,mx,-mz) (-x,-y,z+1;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16c (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,z+3/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+3/2;-mx,mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16b (0,1/2,z;mx,my,0) (0,1/2,z+1/2;-my,mx,0) (1,1/2,z+1/2;my,-mx,0) (0,-1/2,z;-mx,-my,0) (1/2,1,z+3/2;mx,-my,0) (1/2,0,z+3/2;-mx,my,0) (-1/2,0,z+1;my,mx,0) (1/2,0,z+1;-my,-mx,0) 8a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,z+3/2;0,0,-mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mxy|1/2,0,1/4) (m-xy|1/2,0,1/4) (my|0,0,1/2) (mx|0,0,1/2) (1|0,0,1/2)' (4z|1/2,0,1/4)' (4z-1|1/2,0,1/4)' (2z|0,0,1/2)' (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32d (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y+1/2,-x,z+1/4;my,mx,-mz) (y+1/2,x,z+1/4;-my,-mx,-mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/4;my,-mx,-mz) (y+1/2,-x,z+1/4;-my,mx,-mz) (-x,-y,z+1/2;mx,my,-mz) (-y,-x+1/2,z+1/4;-my,-mx,mz) (y,x+1/2,z+1/4;my,mx,mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 16c (0,y,z;0,my,mz) (-y,1/2,z+1/4;-my,0,mz) (y,1/2,z+1/4;my,0,mz) (0,-y,z;0,-my,mz) (-y+1/2,0,z+1/4;my,0,-mz) (y+1/2,0,z+1/4;-my,0,-mz) (0,-y,z+1/2;0,my,-mz) (0,y,z+1/2;0,-my,-mz) 16b (3/4,1/4,z;mx,my,0) (3/4,1/4,z+1/4;-my,mx,0) (1/4,3/4,z+1/4;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,z+1/4;my,mx,0) (3/4,3/4,z+1/4;-my,-mx,0) (3/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) 8a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (1/2,0,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 103.1.859 P4cc UNI: 103.195 P4cc.1 BNS: 103.195 P4cc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 103.2.860 P4cc1' UNI: 103.196 P4cc.1' BNS: 103.196 P4cc1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 4c (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 103.3.861 P4'c'c UNI: 103.197 P4'c'c BNS: 103.197 P4'c'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 103.4.862 P4'cc' UNI: 103.198 P4'cc' BNS: 103.198 P4'cc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 103.5.863 P4c'c' UNI: 103.199 P4c'c' BNS: 103.199 P4c'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 103.6.864 P_P4cc UNI: 103.201 P4cc.1'_C[rP4cc] BNS: 103.201 P_C4cc OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 8c (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (-1/2,0,z+1/2;my,mx,0) (1/2,0,z+1/2;-my,-mx,0) 4b (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (1/2,-1/2,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (my|0,0,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8c (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,z;-mx,-my,0) (3/4,1/4,z+1/2;my,mx,0) (1/4,3/4,z+1/2;-my,-mx,0) (3/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 103.7.865 P_P4'cc' UNI: 104.209 P4nc.1'_C[rP4cc] BNS: 104.209 P_C4nc OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (0,1/2,z;mx,my,0) (1/2,0,z;-my,mx,0) (3/2,0,z;my,-mx,0) (0,-1/2,z;-mx,-my,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1/2,0,z+1/2;my,mx,0) (3/2,0,z+1/2;-my,-mx,0) 4b (1/2,1/2,z;0,0,mz) (3/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,0) (1,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8c (3/4,3/4,z;mx,my,0) (1/4,3/4,z;-my,mx,0) (3/4,1/4,z;my,-mx,0) (1/4,1/4,z;-mx,-my,0) (3/4,3/4,z+1/2;my,mx,0) (1/4,1/4,z+1/2;-my,-mx,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) 4b (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4a (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- OG: 104.1.866 P4nc UNI: 104.203 P4nc.1 BNS: 104.203 P4nc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 104.2.867 P4nc1' UNI: 104.204 P4nc.1' BNS: 104.204 P4nc1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 104.3.868 P4'n'c UNI: 104.205 P4'n'c BNS: 104.205 P4'n'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 104.4.869 P4'nc' UNI: 104.206 P4'nc' BNS: 104.206 P4'nc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 104.5.870 P4n'c' UNI: 104.207 P4n'c' BNS: 104.207 P4n'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 105.1.871 P4_2mc UNI: 105.211 P4_2mc.1 BNS: 105.211 P4_2mc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4e (x,1/2,z;0,my,0) (1/2,x,z+1/2;-my,0,0) (1/2,-x,z+1/2;my,0,0) (-x,1/2,z;0,-my,0) 4d (x,0,z;0,my,0) (0,x,z+1/2;-my,0,0) (0,-x,z+1/2;my,0,0) (-x,0,z;0,-my,0) 2c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 105.2.872 P4_2mc1' UNI: 105.212 P4_2mc.1' BNS: 105.212 P4_2mc1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 4e (x,1/2,z;0,0,0) (1/2,x,z+1/2;0,0,0) (1/2,-x,z+1/2;0,0,0) (-x,1/2,z;0,0,0) 4d (x,0,z;0,0,0) (0,x,z+1/2;0,0,0) (0,-x,z+1/2;0,0,0) (-x,0,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 105.3.873 P4_2'm'c UNI: 105.213 P4_2'm'c BNS: 105.213 P4_2'm'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4e (x,1/2,z;mx,0,mz) (1/2,x,z+1/2;0,-mx,-mz) (1/2,-x,z+1/2;0,mx,-mz) (-x,1/2,z;-mx,0,mz) 4d (x,0,z;mx,0,mz) (0,x,z+1/2;0,-mx,-mz) (0,-x,z+1/2;0,mx,-mz) (-x,0,z;-mx,0,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 105.4.874 P4_2'mc' UNI: 105.214 P4_2'mc' BNS: 105.214 P4_2'mc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4e (x,1/2,z;0,my,0) (1/2,x,z+1/2;my,0,0) (1/2,-x,z+1/2;-my,0,0) (-x,1/2,z;0,-my,0) 4d (x,0,z;0,my,0) (0,x,z+1/2;my,0,0) (0,-x,z+1/2;-my,0,0) (-x,0,z;0,-my,0) 2c (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 2b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 105.5.875 P4_2m'c' UNI: 105.215 P4_2m'c' BNS: 105.215 P4_2m'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4e (x,1/2,z;mx,0,mz) (1/2,x,z+1/2;0,mx,mz) (1/2,-x,z+1/2;0,-mx,mz) (-x,1/2,z;-mx,0,mz) 4d (x,0,z;mx,0,mz) (0,x,z+1/2;0,mx,mz) (0,-x,z+1/2;0,-mx,mz) (-x,0,z;-mx,0,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 2b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 105.6.876 P_P4_2mc UNI: 101.185 P4_2cm.1'_C[rP4_2mc] BNS: 101.185 P_C4_2cm OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 8e (x,1/2,z;mx,0,mz) (-1/2,x,z+1/2;0,mx,mz) (1/2,-x,z+1/2;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (-1/2,-x,z+1/2;0,mx,-mz) (1/2,x,z+1/2;0,-mx,-mz) 8d (x,0,z;0,my,0) (0,x,z+1/2;-my,0,0) (0,-x,z+1/2;my,0,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (1,x,z+1/2;my,0,0) (1,-x,z+1/2;-my,0,0) (-x+1,0,z;0,my,0) 4c (0,1/2,z;mx,0,0) (-1/2,0,z+1/2;0,mx,0) (1/2,0,z+1/2;0,-mx,0) (0,-1/2,z;-mx,0,0) 4b (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (1/2,-1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8e (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) 8d (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z;mx,-mx,0) 4c (3/4,1/4,z;mx,mx,0) (3/4,3/4,z+1/2;-mx,mx,0) (1/4,1/4,z+1/2;mx,-mx,0) (1/4,3/4,z;-mx,-mx,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 105.7.877 P_P4_2'mc' UNI: 102.193 P4_2nm.1'_C[rP4_2mc] BNS: 102.193 P_C4_2nm OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16f (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x+1,-y,z;mx,my,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8e (x,1/2,z;mx,0,mz) (1/2,x,z+1/2;0,mx,mz) (3/2,-x,z+1/2;0,-mx,mz) (-x,-1/2,z;-mx,0,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (1/2,-x,z+1/2;0,mx,-mz) (3/2,x,z+1/2;0,-mx,-mz) 8d (x,0,z;0,my,0) (1,x,z+1/2;-my,0,0) (1,-x,z+1/2;my,0,0) (-x,0,z;0,-my,0) (x+1,0,z;0,-my,0) (0,x,z+1/2;my,0,0) (0,-x,z+1/2;-my,0,0) (-x+1,0,z;0,my,0) 4c (0,1/2,z;mx,0,0) (1/2,0,z+1/2;0,mx,0) (3/2,0,z+1/2;0,-mx,0) (0,-1/2,z;-mx,0,0) 4b (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,-1/2,z;0,0,-mz) (3/2,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (1,0,z+1/2;0,0,0) (1,0,z;0,0,0) (0,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (my|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8e (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;-mx,mx,mz) (x,-x+1/2,z+1/2;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) 8d (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z;mx,-mx,0) 4c (3/4,1/4,z;mx,mx,0) (1/4,1/4,z+1/2;-mx,mx,0) (3/4,3/4,z+1/2;mx,-mx,0) (1/4,3/4,z;-mx,-mx,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 106.1.878 P4_2bc UNI: 106.219 P4_2bc.1 BNS: 106.219 P4_2bc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 106.2.879 P4_2bc1' UNI: 106.220 P4_2bc.1' BNS: 106.220 P4_2bc1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (-x,-y,z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 4b (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 106.3.880 P4_2'b'c UNI: 106.221 P4_2'b'c BNS: 106.221 P4_2'b'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 106.4.881 P4_2'bc' UNI: 106.222 P4_2'bc' BNS: 106.222 P4_2'bc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 106.5.882 P4_2b'c' UNI: 106.223 P4_2b'c' BNS: 106.223 P4_2b'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8c (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) ---------- OG: 107.1.883 I4mm UNI: 107.227 I4mm.1 BNS: 107.227 I4mm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8d (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) 8c (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 107.2.884 I4mm1' UNI: 107.228 I4mm.1' BNS: 107.228 I4mm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 8d (x,0,z;0,0,0) (0,x,z;0,0,0) (0,-x,z;0,0,0) (-x,0,z;0,0,0) 8c (x,x,z;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (-x,-x,z;0,0,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 107.3.885 I4'm'm UNI: 107.229 I4'm'm BNS: 107.229 I4'm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16e (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8d (x,0,z;mx,0,mz) (0,x,z;0,-mx,-mz) (0,-x,z;0,mx,-mz) (-x,0,z;-mx,0,mz) 8c (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x,-x,z;-mx,mx,0) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) ---------- OG: 107.4.886 I4'mm' UNI: 107.230 I4'mm' BNS: 107.230 I4'mm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,0,z;0,my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x,0,z;0,-my,0) 8c (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) ---------- OG: 107.5.887 I4m'm' UNI: 107.231 I4m'm' BNS: 107.231 I4m'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) 8c (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) 2a (0,0,z;0,0,mz) ---------- OG: 107.6.888 I_P4mm UNI: 99.170 P4mm.1'_I[I4mm] BNS: 99.170 P_I4mm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8d (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (1/2,x+1/2,z+1/2;my,0,0) (1/2,-x+1/2,z+1/2;-my,0,0) (-x+1/2,1/2,z+1/2;0,my,0) 8c (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 4b (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8d (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (1/2,x+1/2,z+1/2;my,0,0) (1/2,-x+1/2,z+1/2;-my,0,0) (-x+1/2,1/2,z+1/2;0,my,0) 8c (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 4b (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 107.7.889 I_P4'm'm UNI: 102.194 P4_2nm.1'_I[I4mm] BNS: 102.194 P_I4_2nm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8d (x,0,z;mx,0,mz) (1/2,x+1/2,z+1/2;0,mx,mz) (1/2,-x+1/2,z+1/2;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 8c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8d (x,0,z;mx,0,mz) (1/2,x+1/2,z+1/2;0,mx,mz) (1/2,-x+1/2,z+1/2;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 8c (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 4b (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) ---------- OG: 107.8.890 I_P4'mm' UNI: 105.218 P4_2mc.1'_I[I4mm] BNS: 105.218 P_I4_2mc OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,0,z;0,my,0) (1/2,x+1/2,z+1/2;-my,0,0) (1/2,-x+1/2,z+1/2;my,0,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (-x+1/2,1/2,z+1/2;0,my,0) 8c (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 4b (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) (-1/2,0,z;0,0,0) 2a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8d (x,0,z;0,my,0) (0,x,z+1/2;-my,0,0) (0,-x,z+1/2;my,0,0) (-x,0,z;0,-my,0) (x+1/2,1/2,z+1/2;0,-my,0) (1/2,x+1/2,z;my,0,0) (1/2,-x+1/2,z;-my,0,0) (-x+1/2,1/2,z+1/2;0,my,0) 8c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 4b (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,z+1/2;0,0,0) (0,0,z;0,0,0) 2a (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) ---------- OG: 107.9.891 I_P4m'm' UNI: 104.210 P4nc.1'_I[I4mm] BNS: 104.210 P_I4nc OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (1/2,-x+1/2,z+1/2;0,mx,-mz) (1/2,x+1/2,z+1/2;0,-mx,-mz) 8c (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 4b (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16e (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8d (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z;-mx,0,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) (1/2,-x+1/2,z+1/2;0,mx,-mz) (1/2,x+1/2,z+1/2;0,-mx,-mz) 8c (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 4b (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) ---------- OG: 108.1.892 I4cm UNI: 108.233 I4cm.1 BNS: 108.233 I4cm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 108.2.893 I4cm1' UNI: 108.234 I4cm.1' BNS: 108.234 I4cm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16d (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 8c (x,x+1/2,z;0,0,0) (-x+1/2,x,z;0,0,0) (x+1/2,-x,z;0,0,0) (-x,-x+1/2,z;0,0,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 108.3.894 I4'c'm UNI: 108.235 I4'c'm BNS: 108.235 I4'c'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 108.4.895 I4'cm' UNI: 108.236 I4'cm' BNS: 108.236 I4'cm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) 4b (1/2,0,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 108.5.896 I4c'm' UNI: 108.237 I4c'm' BNS: 108.237 I4c'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 108.6.897 I_P4cm UNI: 100.178 P4bm.1'_I[I4cm] BNS: 100.178 P_I4bm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x+1,-x+1/2,z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (1,1/2,z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) 4a (0,0,z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x,-x+1/2,z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) 4b (1/2,0,z;0,0,0) (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) 4a (0,0,z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) ---------- OG: 108.7.898 I_P4'c'm UNI: 101.186 P4_2cm.1'_I[I4cm] BNS: 101.186 P_I4_2cm OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8c (x,x+1/2,z;mx,-mx,0) (-x,x+1/2,z+1/2;mx,mx,0) (x+1,-x+1/2,z+1/2;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x-1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) 4b (1/2,0,z;0,0,0) (1/2,1,z+1/2;0,0,0) (1,1/2,z+1/2;0,0,0) (0,1/2,z;0,0,0) 4a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z+1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8c (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 4b (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,z;0,0,0) 4a (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z;0,0,0) ---------- OG: 108.8.899 I_P4'cm' UNI: 106.226 P4_2bc.1'_I[I4cm] BNS: 106.226 P_I4_2bc OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2z|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;-mx,mx,mz) (x+1,-x+1/2,z+1/2;mx,-mx,mz) (-x,-x-1/2,z;-mx,-mx,mz) (-x+1/2,x+1,z+1;mx,-mx,-mz) (x+1/2,-x,z+1;-mx,mx,-mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (1/2,1,z+1/2;0,0,mz) (0,1/2,z+1;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,z+1;0,0,0) (0,0,z+1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2z|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8c (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) (x+1/2,-x+1/2,z;-mx,mx,-mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 4b (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4a (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) ---------- OG: 108.9.900 I_P4c'm' UNI: 103.202 P4cc.1'_I[I4cm] BNS: 103.202 P_I4cc OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x-1/2,z;-mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x-1/2,z+1/2;-mx,mx,-mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (-1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16d (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8c (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 4b (1/2,0,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) ---------- OG: 109.1.901 I4_1md UNI: 109.239 I4_1md.1 BNS: 109.239 I4_1md Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16c (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) 8b (0,y,z;mx,0,0) (-y,1/2,z+1/4;0,mx,0) (y,1/2,z+1/4;0,-mx,0) (0,-y,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) ---------- OG: 109.2.902 I4_1md1' UNI: 109.240 I4_1md.1' BNS: 109.240 I4_1md1' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) (1|0,0,0)' (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16c (x,y,z;0,0,0) (-y,x+1/2,z+1/4;0,0,0) (y,-x+1/2,z+1/4;0,0,0) (-x,-y,z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (-y,-x+1/2,z+1/4;0,0,0) (y,x+1/2,z+1/4;0,0,0) 8b (0,y,z;0,0,0) (-y,1/2,z+1/4;0,0,0) (y,1/2,z+1/4;0,0,0) (0,-y,z;0,0,0) 4a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) ---------- OG: 109.3.903 I4_1'm'd UNI: 109.241 I4_1'm'd BNS: 109.241 I4_1'm'd Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16c (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) 8b (0,y,z;0,my,mz) (-y,1/2,z+1/4;my,0,-mz) (y,1/2,z+1/4;-my,0,-mz) (0,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) ---------- OG: 109.4.904 I4_1'md' UNI: 109.242 I4_1'md' BNS: 109.242 I4_1'md' Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) (mx|0,0,0) (my|0,0,0) (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16c (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (-y,-x+1/2,z+1/4;-my,-mx,mz) (y,x+1/2,z+1/4;my,mx,mz) 8b (0,y,z;mx,0,0) (-y,1/2,z+1/4;0,-mx,0) (y,1/2,z+1/4;0,mx,0) (0,-y,z;-mx,0,0) 4a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) ---------- OG: 109.5.905 I4_1m'd' UNI: 109.243 I4_1m'd' BNS: 109.243 I4_1m'd' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,1/2)+ 16c (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (-y,-x+1/2,z+1/4;-my,-mx,mz) (y,x+1/2,z+1/4;my,mx,mz) 8b (0,y,z;0,my,mz) (-y,1/2,z+1/4;-my,0,mz) (y,1/2,z+1/4;my,0,mz) (0,-y,z;0,-my,mz) 4a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) ---------- OG: 110.1.906 I4_1cd UNI: 110.245 I4_1cd.1 BNS: 110.245 I4_1cd Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1/2,0,1/4) (m-xy|1/2,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y+1/2,-x,z+1/4;my,mx,-mz) (y+1/2,x,z+1/4;-my,-mx,-mz) 8a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/4;0,0,-mz) ---------- OG: 110.2.907 I4_1cd1' UNI: 110.246 I4_1cd.1' BNS: 110.246 I4_1cd1' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1/2,0,1/4) (m-xy|1/2,0,1/4) (1|0,0,0)' (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|1/2,0,1/4)' (m-xy|1/2,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16b (x,y,z;0,0,0) (-y,x+1/2,z+1/4;0,0,0) (y,-x+1/2,z+1/4;0,0,0) (-x,-y,z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (-y+1/2,-x,z+1/4;0,0,0) (y+1/2,x,z+1/4;0,0,0) 8a (0,0,z;0,0,0) (0,1/2,z+1/4;0,0,0) (0,0,z+1/2;0,0,0) (1/2,0,z+1/4;0,0,0) ---------- OG: 110.3.908 I4_1'c'd UNI: 110.247 I4_1'c'd BNS: 110.247 I4_1'c'd Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|1/2,0,1/4) (m-xy|1/2,0,1/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y+1/2,-x,z+1/4;my,mx,-mz) (y+1/2,x,z+1/4;-my,-mx,-mz) 8a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,mz) (1/2,0,z+1/4;0,0,-mz) ---------- OG: 110.4.909 I4_1'cd' UNI: 110.248 I4_1'cd' BNS: 110.248 I4_1'cd' Operators: (1|0,0,0) (4z|0,1/2,1/4)' (4z-1|0,1/2,1/4)' (2z|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mxy|1/2,0,1/4)' (m-xy|1/2,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;my,-mx,-mz) (y,-x+1/2,z+1/4;-my,mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (-y+1/2,-x,z+1/4;-my,-mx,mz) (y+1/2,x,z+1/4;my,mx,mz) 8a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,z+1/4;0,0,mz) ---------- OG: 110.5.910 I4_1c'd' UNI: 110.249 I4_1c'd' BNS: 110.249 I4_1c'd' Operators: (1|0,0,0) (4z|0,1/2,1/4) (4z-1|0,1/2,1/4) (2z|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mxy|1/2,0,1/4)' (m-xy|1/2,0,1/4)' Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,1/2)+ 16b (x,y,z;mx,my,mz) (-y,x+1/2,z+1/4;-my,mx,mz) (y,-x+1/2,z+1/4;my,-mx,mz) (-x,-y,z;-mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (-y+1/2,-x,z+1/4;-my,-mx,mz) (y+1/2,x,z+1/4;my,mx,mz) 8a (0,0,z;0,0,mz) (0,1/2,z+1/4;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,0,z+1/4;0,0,mz) ---------- OG: 111.1.911 P-42m UNI: 111.251 P-42m.1 BNS: 111.251 P-42m Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4n (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 4m (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4l (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) 4k (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,mx,0) (0,x,1/2;0,-mx,0) 4j (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 111.2.912 P-42m1' UNI: 111.252 P-42m.1' BNS: 111.252 P-42m1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 4n (x,x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) 4m (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z;0,0,0) 4l (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (1/2,-x,0;0,0,0) (1/2,x,0;0,0,0) 4k (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,-x,1/2;0,0,0) (0,x,1/2;0,0,0) 4j (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (1/2,x,1/2;0,0,0) 4i (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,-x,0;0,0,0) (0,x,0;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 111.3.913 P-4'2'm UNI: 111.253 P-4'2'm BNS: 111.253 P-4'2'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 4n (x,x,z;mx,-mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) 4m (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) 4l (x,1/2,0;0,my,mz) (-x,1/2,0;0,-my,mz) (1/2,-x,0;my,0,-mz) (1/2,x,0;-my,0,-mz) 4k (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 4j (x,1/2,1/2;0,my,mz) (-x,1/2,1/2;0,-my,mz) (1/2,-x,1/2;my,0,-mz) (1/2,x,1/2;-my,0,-mz) 4i (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) (0,-x,0;my,0,-mz) (0,x,0;-my,0,-mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2e (1/2,0,0;0,0,mz) (0,1/2,0;0,0,-mz) 1d (1/2,1/2,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 111.4.914 P-4'2m' UNI: 111.254 P-4'2m' BNS: 111.254 P-4'2m' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4n (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,mz) 4l (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (1/2,-x,0;0,-mx,0) (1/2,x,0;0,mx,0) 4k (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (0,x,1/2;0,mx,0) 4j (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,-x,1/2;0,-mx,0) (1/2,x,1/2;0,mx,0) 4i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,-mx,0) (0,x,0;0,mx,0) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 1d (1/2,1/2,0;0,0,0) 1c (0,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 111.5.915 P-42'm' UNI: 111.255 P-42'm' BNS: 111.255 P-42'm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8o (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 4n (x,x,z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,mz) 4l (x,1/2,0;0,my,mz) (-x,1/2,0;0,-my,mz) (1/2,-x,0;-my,0,mz) (1/2,x,0;my,0,mz) 4k (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;-my,0,mz) (0,x,1/2;my,0,mz) 4j (x,1/2,1/2;0,my,mz) (-x,1/2,1/2;0,-my,mz) (1/2,-x,1/2;-my,0,mz) (1/2,x,1/2;my,0,mz) 4i (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2f (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 2e (1/2,0,0;0,0,mz) (0,1/2,0;0,0,mz) 1d (1/2,1/2,0;0,0,mz) 1c (0,0,1/2;0,0,mz) 1b (1/2,1/2,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 111.6.916 P_2c-42m UNI: 111.256 P-42m.1'_c[P-42m] BNS: 111.256 P_c-42m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 8n (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (-x,x,-z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 8m (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z+1;0,0,mz) (1/2,0,-z+1;0,0,-mz) (1/2,0,z+1;0,0,mz) 8l (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,1/2,1;-mx,0,0) (-x,1/2,1;mx,0,0) (1/2,-x,1;0,-mx,0) (1/2,x,1;0,mx,0) 8k (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,-x,-1/2;-my,0,mz) (0,x,-1/2;my,0,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 8j (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,-x,-1/2;-my,0,mz) (-1/2,x,-1/2;my,0,mz) (-1/2,-x,1/2;my,0,-mz) (1/2,x,1/2;-my,0,-mz) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) (0,-x,1;0,-mx,0) (0,x,1;0,mx,0) 4h (1/2,1/2,z;0,0,0) (1/2,-1/2,-z;0,0,0) (1/2,1/2,z+1;0,0,0) (1/2,-1/2,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4f (1/2,0,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,-1/2,-1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (0,1/2,1;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) 2c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2b (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8n (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1/2;-mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) 8m (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8l (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,1/2,1/2;-mx,0,0) (-x,1/2,1/2;mx,0,0) (1/2,-x,1/2;0,-mx,0) (1/2,x,1/2;0,mx,0) 8k (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (0,-x,1/4;my,0,-mz) (0,x,1/4;-my,0,-mz) 8j (x,1/2,1/4;0,my,mz) (x,1/2,3/4;0,-my,-mz) (-x,1/2,3/4;0,my,-mz) (-x,1/2,1/4;0,-my,mz) (1/2,-x,3/4;-my,0,mz) (1/2,x,3/4;my,0,mz) (1/2,-x,1/4;my,0,-mz) (1/2,x,1/4;-my,0,-mz) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (-x,0,1/2;mx,0,0) (0,-x,1/2;0,-mx,0) (0,x,1/2;0,mx,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4f (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 4e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 111.7.917 P_P-42m UNI: 115.289 P-4m2.1'_C[rP-42m] BNS: 115.289 P_C-4m2 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 8n (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1,x,z;-mx,mx,0) (x+1,-x,-z;-mx,-mx,0) (-x+1,x,-z;mx,mx,0) (-x+1,-x,z;mx,-mx,0) 8m (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 8l (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,-x,0;-my,0,mz) (-1/2,x,0;my,0,mz) (-1/2,-x,0;my,0,-mz) (1/2,x,0;-my,0,-mz) 8k (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,mx,0) (0,x,1/2;0,-mx,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,1/2;mx,0,0) (1,-x,1/2;0,-mx,0) (1,x,1/2;0,mx,0) 8j (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (1/2,-x,-1/2;-my,0,mz) (-1/2,x,-1/2;my,0,mz) (-1/2,-x,1/2;my,0,-mz) (1/2,x,1/2;-my,0,-mz) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) (1,-x,0;0,-mx,0) (1,x,0;0,mx,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (3/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 4f (1/2,0,1/2;mx,0,0) (-1/2,0,1/2;-mx,0,0) (0,-1/2,1/2;0,mx,0) (0,1/2,1/2;0,-mx,0) 4e (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (0,-1/2,0;0,mx,0) (0,1/2,0;0,-mx,0) 2d (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2b (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|0,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 8n (0,y,z;mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,-y,z;-mx,0,0) (1/2,y+1/2,z;-mx,0,0) (y+1/2,1/2,-z;0,-mx,0) (-y+1/2,1/2,-z;0,mx,0) (1/2,-y+1/2,z;mx,0,0) 8m (3/4,1/4,z;mx,my,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,3/4,z;-mx,my,0) (1/4,1/4,z;mx,-my,0) 8l (x,x+1/2,0;mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) (x,-x+1/2,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) 8k (x,x,1/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) 8j (x,x+1/2,1/2;mx,-mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x+1/2,x,1/2;-mx,-mx,mz) (x,-x+1/2,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) 8i (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) 4h (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4f (1/4,1/4,1/2;mx,mx,0) (3/4,3/4,1/2;-mx,-mx,0) (1/4,3/4,1/2;-mx,mx,0) (3/4,1/4,1/2;mx,-mx,0) 4e (1/4,1/4,0;mx,mx,0) (3/4,3/4,0;-mx,-mx,0) (1/4,3/4,0;-mx,mx,0) (3/4,1/4,0;mx,-mx,0) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 111.8.918 P_I-42m UNI: 119.320 I-4m2.1'_c[rP-42m] BNS: 119.320 I_c-4m2 OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16n (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,z+1;-mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (-x,x,-z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) 16m (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 16l (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,-x,0;-my,0,mz) (-1/2,x,0;my,0,mz) (-1/2,-x,0;my,0,-mz) (1/2,x,0;-my,0,-mz) 16k (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,-x,-1/2;-my,0,mz) (0,x,-1/2;my,0,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 16j (x,1/2,1/2;mx,0,0) (-x,-1/2,1/2;-mx,0,0) (-1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) (x,1/2,3/2;-mx,0,0) (-x,-1/2,3/2;mx,0,0) (-1/2,-x,3/2;0,-mx,0) (1/2,x,3/2;0,mx,0) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) (0,-x,1;0,-mx,0) (0,x,1;0,mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (1/2,1/2,z+1;0,0,0) (-1/2,1/2,-z+1;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8f (1/2,0,1/2;0,my,0) (-1/2,0,1/2;0,-my,0) (0,1/2,1/2;-my,0,0) (0,-1/2,1/2;my,0,0) 8e (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (0,-1/2,0;0,mx,0) (0,1/2,0;0,-mx,0) 4d (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4b (1/2,1/2,1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|0,0,0) (mx|0,0,0) (1|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 16n (0,y,z;mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,z+1/2;-mx,0,0) (y,0,-z+1/2;0,-mx,0) (-y,0,-z+1/2;0,mx,0) (0,-y,z+1/2;mx,0,0) 16m (3/4,1/4,z;mx,my,0) (1/4,3/4,-z;my,mx,0) (3/4,1/4,-z;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,3/4,z;-mx,my,0) (1/4,1/4,z;mx,-my,0) 16l (x,x+1/2,0;mx,-mx,mz) (x+1/2,x,0;-mx,mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) (x,-x+1/2,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) 16k (x,x,1/4;mx,-mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x,-x,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,-mz) 16j (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) 16i (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) 8h (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;mx,-mx,0) (3/4,3/4,1/4;-mx,mx,0) (3/4,1/4,1/4;mx,mx,0) (1/4,3/4,1/4;-mx,-mx,0) 8e (1/4,1/4,0;mx,mx,0) (3/4,3/4,0;-mx,-mx,0) (1/4,3/4,0;-mx,mx,0) (3/4,1/4,0;mx,-mx,0) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 111.9.919 P_2c-42'm' UNI: 112.264 P-42c.1'_c[P-42m] BNS: 112.264 P_c-42c OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16o (x,y,z;mx,my,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8n (x,x,z;mx,mx,mz) (x,-x,-z+1;mx,-mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 8m (0,1/2,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (1/2,0,z;0,0,mz) 8l (x,1/2,0;0,my,mz) (x,-1/2,1;0,-my,-mz) (-x,1/2,1;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,-x,0;-my,0,mz) (-1/2,x,0;my,0,mz) (-1/2,-x,1;my,0,-mz) (1/2,x,1;-my,0,-mz) 8k (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,-1/2;0,mx,0) (0,x,3/2;0,-mx,0) (x,0,3/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (0,-x,1/2;0,-mx,0) (0,x,1/2;0,mx,0) 8j (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,-x,-1/2;0,mx,0) (1/2,x,3/2;0,-mx,0) (x,1/2,3/2;-mx,0,0) (-x,1/2,-1/2;mx,0,0) (1/2,-x,1/2;0,-mx,0) (1/2,x,1/2;0,mx,0) 8i (x,0,0;0,my,mz) (x,0,1;0,-my,-mz) (-x,0,1;0,my,-mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) (0,-x,1;my,0,-mz) (0,x,1;-my,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4f (1/2,0,1/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,1/2;0,0,0) 4e (1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) (0,-1/2,0;0,0,mz) (0,1/2,1;0,0,-mz) 2d (1/2,1/2,0;0,0,mz) (1/2,-1/2,1;0,0,-mz) 2c (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2b (1/2,1/2,1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8n (x,x,z;mx,mx,mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 8m (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8l (x,1/2,0;0,my,mz) (x,1/2,1/2;0,-my,-mz) (-x,1/2,1/2;0,my,-mz) (-x,1/2,0;0,-my,mz) (1/2,-x,0;-my,0,mz) (1/2,x,0;my,0,mz) (1/2,-x,1/2;my,0,-mz) (1/2,x,1/2;-my,0,-mz) 8k (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,1/4;0,-mx,0) (0,x,1/4;0,mx,0) 8j (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) (x,1/2,3/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,1/4;0,-mx,0) (1/2,x,1/4;0,mx,0) 8i (x,0,0;0,my,mz) (x,0,1/2;0,-my,-mz) (-x,0,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4f (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4e (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 111.10.920 P_P-4'2m' UNI: 117.305 P-4b2.1'_C[rP-42m] BNS: 117.305 P_C-4b2 OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8n (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1,-x,-z;-mx,mx,mz) (-x+1,x,-z;mx,-mx,mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 8m (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (1/2,0,z;my,mx,0) (3/2,0,z;-my,-mx,0) 8l (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (3/2,-x,0;-my,0,mz) (1/2,x,0;my,0,mz) (1/2,-x,0;my,0,-mz) (3/2,x,0;-my,0,-mz) 8k (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1,-x,1/2;0,mx,0) (1,x,1/2;0,-mx,0) (x+1,0,1/2;-mx,0,0) (-x+1,0,1/2;mx,0,0) (0,-x,1/2;0,-mx,0) (0,x,1/2;0,mx,0) 8j (x,1/2,1/2;0,my,mz) (x,-1/2,-1/2;0,-my,-mz) (-x,1/2,-1/2;0,my,-mz) (-x,-1/2,1/2;0,-my,mz) (3/2,-x,-1/2;-my,0,mz) (1/2,x,-1/2;my,0,mz) (1/2,-x,1/2;my,0,-mz) (3/2,x,1/2;-my,0,-mz) 8i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (1,-x,0;0,mx,0) (1,x,0;0,-mx,0) (x+1,0,0;-mx,0,0) (-x+1,0,0;mx,0,0) (0,-x,0;0,-mx,0) (0,x,0;0,mx,0) 4h (1/2,1/2,z;0,0,mz) (-1/2,1/2,-z;0,0,-mz) (3/2,-1/2,-z;0,0,mz) (3/2,1/2,z;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1,0,-z;0,0,mz) (1,0,z;0,0,-mz) 4f (1/2,0,1/2;mx,0,0) (-1/2,0,1/2;-mx,0,0) (1,-1/2,1/2;0,mx,0) (1,1/2,1/2;0,-mx,0) 4e (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (1,-1/2,0;0,mx,0) (1,1/2,0;0,-mx,0) 2d (1/2,1/2,0;0,0,mz) (-1/2,1/2,0;0,0,-mz) 2c (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2b (1/2,1/2,1/2;0,0,mz) (-1/2,1/2,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 16o (x,y,z;mx,my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 8n (0,y,z;0,my,mz) (y+1/2,1/2,-z;my,0,-mz) (-y+1/2,1/2,-z;-my,0,-mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 8m (3/4,3/4,z;mx,my,0) (1/4,1/4,-z;my,mx,0) (3/4,3/4,-z;-my,-mx,0) (1/4,1/4,z;-mx,-my,0) (3/4,1/4,-z;-my,mx,0) (1/4,3/4,-z;my,-mx,0) (1/4,3/4,z;-mx,my,0) (3/4,1/4,z;mx,-my,0) 8l (x,x,0;mx,-mx,mz) (x+1/2,x+1/2,0;-mx,mx,-mz) (-x+1/2,-x+1/2,0;mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,-mz) (-x+1/2,x+1/2,0;mx,mx,-mz) 8k (x,x+1/2,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) 8j (x,x,1/2;mx,-mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,1/2;mx,-mx,-mz) (-x,-x,1/2;-mx,mx,mz) (x,-x,1/2;mx,mx,mz) (-x,x,1/2;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,-mz) (-x+1/2,x+1/2,1/2;mx,mx,-mz) 8i (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) 4h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4g (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4f (1/4,3/4,1/2;mx,mx,0) (3/4,1/4,1/2;-mx,-mx,0) (3/4,3/4,1/2;-mx,mx,0) (1/4,1/4,1/2;mx,-mx,0) 4e (1/4,3/4,0;mx,mx,0) (3/4,1/4,0;-mx,-mx,0) (3/4,3/4,0;-mx,mx,0) (1/4,1/4,0;mx,-mx,0) 2d (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 111.11.921 P_I-4'2m' UNI: 120.326 I-4c2.1'_c[rP-42m] BNS: 120.326 I_c-4c2 OG-BNS transformation: (1/2,-1/2,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32o (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,-x,-z+1;-mx,mx,mz) (-x,x,-z+1;mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16m (0,1/2,z;mx,my,0) (0,-1/2,-z;mx,-my,0) (0,1/2,-z;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z+1;-my,mx,0) (-1/2,0,-z+1;my,-mx,0) (-1/2,0,z+1;my,mx,0) (1/2,0,z+1;-my,-mx,0) 16l (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,-x,1;-my,0,mz) (-1/2,x,1;my,0,mz) (-1/2,-x,1;my,0,-mz) (1/2,x,1;-my,0,-mz) 16k (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;-my,0,mz) (0,x,1/2;my,0,mz) (0,-x,3/2;my,0,-mz) (0,x,3/2;-my,0,-mz) 16j (x,1/2,1/2;mx,0,0) (-x,-1/2,1/2;-mx,0,0) (-1/2,-x,3/2;0,mx,0) (1/2,x,3/2;0,-mx,0) (x,1/2,3/2;-mx,0,0) (-x,-1/2,3/2;mx,0,0) (-1/2,-x,1/2;0,-mx,0) (1/2,x,1/2;0,mx,0) 16i (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,1;0,mx,0) (0,x,1;0,-mx,0) (x,0,1;-mx,0,0) (-x,0,1;mx,0,0) (0,-x,0;0,-mx,0) (0,x,0;0,mx,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,-z;0,0,-mz) (1/2,-1/2,-z+1;0,0,mz) (1/2,1/2,z+1;0,0,-mz) 8g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,z+1;0,0,-mz) 8f (1/2,0,1/2;0,my,0) (-1/2,0,1/2;0,-my,0) (0,1/2,3/2;-my,0,0) (0,-1/2,3/2;my,0,0) 8e (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (0,-1/2,1;0,mx,0) (0,1/2,1;0,-mx,0) 4d (1/2,1/2,0;0,0,mz) (-1/2,1/2,0;0,0,-mz) 4c (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 4b (1/2,1/2,1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 16n (1/2,y,z;0,my,mz) (y,1/2,-z+1/2;my,0,-mz) (-y,1/2,-z+1/2;-my,0,-mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z;-my,0,mz) (-y,1/2,-z;my,0,mz) (1/2,-y,z+1/2;0,my,-mz) (1/2,y,z+1/2;0,-my,-mz) 16m (1/4,1/4,z;mx,my,0) (1/4,1/4,-z+1/2;my,mx,0) (3/4,3/4,-z+1/2;-my,-mx,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;-my,mx,0) (3/4,1/4,-z;my,-mx,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) 16l (x,x,0;mx,-mx,mz) (x,x,1/2;-mx,mx,-mz) (-x,-x,1/2;mx,-mx,-mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,1/2;mx,mx,-mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (-x,x+1/2,3/4;mx,mx,-mz) 16j (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) 16i (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x,x+1/2,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 8g (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 8f (3/4,1/4,1/4;mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) (1/4,1/4,3/4;mx,mx,0) (3/4,3/4,3/4;-mx,-mx,0) 8e (3/4,1/4,0;mx,mx,0) (1/4,3/4,0;-mx,-mx,0) (3/4,3/4,1/2;-mx,mx,0) (1/4,1/4,1/2;mx,-mx,0) 4d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 4c (1/2,0,1/4;0,0,mz) (0,1/2,1/4;0,0,-mz) 4b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 112.1.922 P-42c UNI: 112.259 P-42c.1 BNS: 112.259 P-42c Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8n (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4l (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (y,0,3/4;-my,0,0) (-y,0,3/4;my,0,0) 4i (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) 4h (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (y,1/2,3/4;-my,0,0) (-y,1/2,3/4;my,0,0) 4g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) 2f (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2e (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 112.2.923 P-42c1' UNI: 112.260 P-42c.1' BNS: 112.260 P-42c1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8n (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 4m (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4l (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4k (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4j (0,y,1/4;0,0,0) (0,-y,1/4;0,0,0) (y,0,3/4;0,0,0) (-y,0,3/4;0,0,0) 4i (x,1/2,1/4;0,0,0) (-x,1/2,1/4;0,0,0) (1/2,-x,3/4;0,0,0) (1/2,x,3/4;0,0,0) 4h (1/2,y,1/4;0,0,0) (1/2,-y,1/4;0,0,0) (y,1/2,3/4;0,0,0) (-y,1/2,3/4;0,0,0) 4g (x,0,1/4;0,0,0) (-x,0,1/4;0,0,0) (0,-x,3/4;0,0,0) (0,x,3/4;0,0,0) 2f (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2e (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 112.3.924 P-4'2'c UNI: 112.261 P-4'2'c BNS: 112.261 P-4'2'c Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8n (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4l (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4j (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (y,0,3/4;0,-mx,-mz) (-y,0,3/4;0,mx,-mz) 4i (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (1/2,-x,3/4;my,0,-mz) (1/2,x,3/4;-my,0,-mz) 4h (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (y,1/2,3/4;0,-mx,-mz) (-y,1/2,3/4;0,mx,-mz) 4g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) 2f (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2e (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 2c (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2b (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 112.4.925 P-4'2c' UNI: 112.262 P-4'2c' BNS: 112.262 P-4'2c' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8n (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4l (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (y,0,3/4;my,0,0) (-y,0,3/4;-my,0,0) 4i (x,1/2,1/4;mx,0,0) (-x,1/2,1/4;-mx,0,0) (1/2,-x,3/4;0,-mx,0) (1/2,x,3/4;0,mx,0) 4h (1/2,y,1/4;0,my,0) (1/2,-y,1/4;0,-my,0) (y,1/2,3/4;my,0,0) (-y,1/2,3/4;-my,0,0) 4g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) 2f (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2e (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 112.5.926 P-42'c' UNI: 112.263 P-42'c' BNS: 112.263 P-42'c' Operators: (1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8n (x,y,z;mx,my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 4m (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4l (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4j (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (y,0,3/4;0,mx,mz) (-y,0,3/4;0,-mx,mz) 4i (x,1/2,1/4;0,my,mz) (-x,1/2,1/4;0,-my,mz) (1/2,-x,3/4;-my,0,mz) (1/2,x,3/4;my,0,mz) 4h (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (y,1/2,3/4;0,mx,mz) (-y,1/2,3/4;0,-mx,mz) 4g (x,0,1/4;0,my,mz) (-x,0,1/4;0,-my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) 2f (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2e (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 2c (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2b (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 112.6.927 P_P-42c UNI: 116.297 P-4c2.1'_C[rP-42c] BNS: 116.297 P_C-4c2 OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 8m (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (-1/2,0,z+1/2;my,mx,0) (1/2,0,z+1/2;-my,-mx,0) 8l (1/2,1/2,z;0,0,mz) (-1/2,1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (3/2,-1/2,-z;0,0,-mz) (3/2,1/2,z+1/2;0,0,mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (y,0,3/4;-my,0,0) (-y,0,3/4;my,0,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (y+1,0,3/4;my,0,0) (-y+1,0,3/4;-my,0,0) 8i (x,1/2,1/4;0,my,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (1/2,-x,-1/4;-my,0,mz) (-1/2,x,-1/4;my,0,mz) (-1/2,-x,3/4;my,0,-mz) (1/2,x,3/4;-my,0,-mz) 8h (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (y,-1/2,-1/4;0,mx,mz) (-y,1/2,-1/4;0,-mx,mz) (-y,-1/2,3/4;0,mx,-mz) (y,1/2,3/4;0,-mx,-mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (1,-x,3/4;0,-mx,0) (1,x,3/4;0,mx,0) 4f (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) 4d (0,1/2,1/4;0,my,0) (0,-1/2,1/4;0,-my,0) (1/2,0,3/4;-my,0,0) (-1/2,0,3/4;my,0,0) 4c (1/2,1/2,1/4;0,0,mz) (-1/2,1/2,1/4;0,0,-mz) (1/2,-1/2,-1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 4b (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (0,-1/2,3/4;0,mx,0) (0,1/2,3/4;0,-mx,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1,0,1/4;0,0,0) (1,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 16n (x,y,z;mx,my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 8m (3/4,1/4,z;mx,my,0) (1/4,3/4,-z+1/2;my,mx,0) (3/4,1/4,-z+1/2;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) 8l (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8j (x,-x,1/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) (-x,-x,3/4;mx,mx,0) (x,x,3/4;-mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 8i (x,x+1/2,1/4;mx,-mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (-x,x+1/2,3/4;mx,mx,-mz) 8h (x,-x+1/2,1/4;mx,mx,mz) (-x+1/2,x,1/4;mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x+1/2,x,3/4;mx,-mx,mz) (x,x+1/2,3/4;-mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,-mz) 8g (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4d (3/4,1/4,1/4;mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) (1/4,1/4,3/4;mx,mx,0) (3/4,3/4,3/4;-mx,-mx,0) 4c (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,3/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4b (1/4,1/4,1/4;mx,mx,0) (3/4,3/4,1/4;-mx,-mx,0) (1/4,3/4,3/4;-mx,mx,0) (3/4,1/4,3/4;mx,-mx,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) ---------- OG: 112.7.928 P_P-4'2c' UNI: 118.313 P-4n2.1'_C[rP-42c] BNS: 118.313 P_C-4n2 OG-BNS transformation: (1/2,-1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8m (0,1/2,z;mx,my,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (1/2,0,z+1/2;my,mx,0) (3/2,0,z+1/2;-my,-mx,0) 8l (1/2,1/2,z;0,0,mz) (-1/2,1/2,-z+1/2;0,0,-mz) (3/2,-1/2,-z;0,0,mz) (3/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8k (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (1,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8j (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (y+1,0,3/4;-my,0,0) (-y+1,0,3/4;my,0,0) (1,y,1/4;0,-my,0) (1,-y,1/4;0,my,0) (y,0,3/4;my,0,0) (-y,0,3/4;-my,0,0) 8i (x,1/2,1/4;0,my,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (3/2,-x,-1/4;-my,0,mz) (1/2,x,-1/4;my,0,mz) (1/2,-x,3/4;my,0,-mz) (3/2,x,3/4;-my,0,-mz) 8h (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;mx,0,-mz) (-1/2,y,1/4;-mx,0,-mz) (-1/2,-y,1/4;-mx,0,mz) (y+1,-1/2,-1/4;0,mx,mz) (-y+1,1/2,-1/4;0,-mx,mz) (-y+1,-1/2,3/4;0,mx,-mz) (y+1,1/2,3/4;0,-mx,-mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (1,-x,3/4;0,mx,0) (1,x,3/4;0,-mx,0) (x+1,0,1/4;-mx,0,0) (-x+1,0,1/4;mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) 4f (1/2,1/2,0;0,0,mz) (-1/2,1/2,1/2;0,0,-mz) (3/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4e (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) 4d (0,1/2,1/4;0,my,0) (0,-1/2,1/4;0,-my,0) (3/2,0,3/4;-my,0,0) (1/2,0,3/4;my,0,0) 4c (1/2,1/2,1/4;0,0,mz) (-1/2,1/2,1/4;0,0,-mz) (3/2,-1/2,-1/4;0,0,mz) (3/2,1/2,3/4;0,0,-mz) 4b (1/2,0,1/4;mx,0,0) (-1/2,0,1/4;-mx,0,0) (1,-1/2,3/4;0,mx,0) (1,1/2,3/4;0,-mx,0) 4a (0,0,1/4;0,0,0) (1,0,3/4;0,0,0) (1,0,1/4;0,0,0) (0,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (my|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 16n (x,y,z;mx,my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 8m (1/4,1/4,z;mx,my,0) (3/4,3/4,-z+1/2;my,mx,0) (1/4,1/4,-z+1/2;-my,-mx,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,-z;-my,mx,0) (3/4,1/4,-z;my,-mx,0) (3/4,1/4,z+1/2;-mx,my,0) (1/4,3/4,z+1/2;mx,-my,0) 8l (1/2,1/2,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8k (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8j (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x+1/2,x,3/4;-mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) 8i (x,x,1/4;mx,-mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,-mz) (-x+1/2,x+1/2,3/4;mx,mx,-mz) 8h (x,-x,1/4;mx,mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,-mz) (x+1/2,-x+1/2,1/4;-mx,-mx,-mz) (-x,x,1/4;-mx,-mx,mz) (-x,-x,3/4;-mx,mx,mz) (x,x,3/4;mx,-mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) 8g (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) 4f (1/2,1/2,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,0,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4e (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4d (1/4,1/4,1/4;mx,-mx,0) (3/4,3/4,1/4;-mx,mx,0) (1/4,3/4,3/4;mx,mx,0) (3/4,1/4,3/4;-mx,-mx,0) 4c (1/2,1/2,1/4;0,0,mz) (0,0,1/4;0,0,-mz) (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,-mz) 4b (3/4,1/4,1/4;mx,mx,0) (1/4,3/4,1/4;-mx,-mx,0) (1/4,1/4,3/4;-mx,mx,0) (3/4,3/4,3/4;mx,-mx,0) 4a (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) ---------- OG: 113.1.929 P-42_1m UNI: 113.267 P-42_1m.1 BNS: 113.267 P-42_1m Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 4e (x,x+1/2,z;mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 113.2.930 P-42_1m1' UNI: 113.268 P-42_1m.1' BNS: 113.268 P-42_1m1' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y+1/2,x+1/2,z;0,0,0) 4e (x,x+1/2,z;0,0,0) (x+1/2,-x,-z;0,0,0) (-x+1/2,x,-z;0,0,0) (-x,-x+1/2,z;0,0,0) 4d (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 113.3.931 P-4'2_1'm UNI: 113.269 P-4'2_1'm BNS: 113.269 P-4'2_1'm Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 4e (x,x+1/2,z;mx,-mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x+1/2,x,-z;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 113.4.932 P-4'2_1m' UNI: 113.270 P-4'2_1m' BNS: 113.270 P-4'2_1m' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 4e (x,x+1/2,z;mx,mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x,-z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 113.5.933 P-42_1'm' UNI: 113.271 P-42_1'm' BNS: 113.271 P-42_1'm' Operators: (1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 4e (x,x+1/2,z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) 4d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,mz) 2c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- OG: 113.6.934 P_2c-42_1m UNI: 113.272 P-42_1m.1'_c[P-42_1m] BNS: 113.272 P_c-42_1m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 8e (x,x+1/2,z;mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x+1,-z;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x,x+1/2,z+1;-mx,mx,0) (x+1/2,-x,-z+1;-mx,-mx,0) (-x+1/2,x+1,-z+1;mx,mx,0) (-x,-x-1/2,z+1;mx,-mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1;0,0,0) (1/2,0,-z+1;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,1;0,0,mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8e (x,x+1/2,z;mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-x,-z+1/2;-mx,-mx,0) (-x+1/2,x,-z+1/2;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) 8d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4c (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 4b (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 113.7.935 P_2c-4'2_1m' UNI: 114.280 P-42_1c.1'_c[P-42_1m] BNS: 114.280 P_c-42_1c OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8e (x,x+1/2,z;mx,mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x+1,-z;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1/2,-x,-z+1;-mx,mx,mz) (-x-1/2,x,-z+1;mx,-mx,mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1,x+1/2,z+1;-mx,-mx,-mz) 8d (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,-z+1;0,0,mz) (1,1/2,z+1;0,0,-mz) 4b (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) (0,0,3/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16f (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8e (x,x+1/2,z;mx,mx,mz) (x+1/2,-x,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) 8d (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4c (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4b (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4a (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 114.1.936 P-42_1c UNI: 114.275 P-42_1c.1 BNS: 114.275 P-42_1c Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4d (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 114.2.937 P-42_1c1' UNI: 114.276 P-42_1c.1' BNS: 114.276 P-42_1c1' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 4d (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 4c (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 114.3.938 P-4'2_1'c UNI: 114.277 P-4'2_1'c BNS: 114.277 P-4'2_1'c Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 4d (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 114.4.939 P-4'2_1c' UNI: 114.278 P-4'2_1c' BNS: 114.278 P-4'2_1c' Operators: (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4d (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4c (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 114.5.940 P-42_1'c' UNI: 114.279 P-42_1'c' BNS: 114.279 P-42_1'c' Operators: (1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 4d (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4c (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 115.1.941 P-4m2 UNI: 115.283 P-4m2.1 BNS: 115.283 P-4m2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4k (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (1/2,-x,-z;-my,0,0) 4j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) 4i (x,x,1/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) 4h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) 2g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 1d (0,0,1/2;0,0,0) 1c (1/2,1/2,1/2;0,0,0) 1b (1/2,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 115.2.942 P-4m21' UNI: 115.284 P-4m2.1' BNS: 115.284 P-4m21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 4k (x,1/2,z;0,0,0) (-x,1/2,z;0,0,0) (1/2,x,-z;0,0,0) (1/2,-x,-z;0,0,0) 4j (x,0,z;0,0,0) (-x,0,z;0,0,0) (0,x,-z;0,0,0) (0,-x,-z;0,0,0) 4i (x,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,x,1/2;0,0,0) 4h (x,x,0;0,0,0) (-x,-x,0;0,0,0) (x,-x,0;0,0,0) (-x,x,0;0,0,0) 2g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 1d (0,0,1/2;0,0,0) 1c (1/2,1/2,1/2;0,0,0) 1b (1/2,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 115.3.943 P-4'm'2 UNI: 115.285 P-4'm'2 BNS: 115.285 P-4'm'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4k (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) 4j (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) 4i (x,x,1/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x,-x,1/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) 4h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;mx,-mx,0) (-x,x,0;-mx,mx,0) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1d (0,0,1/2;0,0,0) 1c (1/2,1/2,1/2;0,0,0) 1b (1/2,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 115.4.944 P-4'm2' UNI: 115.286 P-4'm2' BNS: 115.286 P-4'm2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 4k (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;-my,0,0) (1/2,-x,-z;my,0,0) 4j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 4i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,1/2;mx,mx,-mz) 4h (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;-mx,-mx,-mz) (-x,x,0;mx,mx,-mz) 2g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 1d (0,0,1/2;0,0,0) 1c (1/2,1/2,1/2;0,0,0) 1b (1/2,1/2,0;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 115.5.945 P-4m'2' UNI: 115.287 P-4m'2' BNS: 115.287 P-4m'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 4k (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,-mx,mz) (1/2,-x,-z;0,mx,mz) 4j (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,-mx,mz) (0,-x,-z;0,mx,mz) 4i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,-x,1/2;mx,mx,mz) (-x,x,1/2;-mx,-mx,mz) 4h (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) 2g (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 2f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1d (0,0,1/2;0,0,mz) 1c (1/2,1/2,1/2;0,0,mz) 1b (1/2,1/2,0;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 115.6.946 P_2c-4m2 UNI: 115.288 P-4m2.1'_c[P-4m2] BNS: 115.288 P_c-4m2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 8k (x,1/2,z;0,my,0) (-x,-1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (-1/2,-x,-z;-my,0,0) (x,1/2,z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) (1/2,x,-z+1;-my,0,0) (-1/2,-x,-z+1;my,0,0) 8j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) (0,x,-z+1;-my,0,0) (0,-x,-z+1;my,0,0) 8i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) (x,-x,-1/2;mx,mx,mz) (-x,x,-1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) 8h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x,x,1;-mx,-mx,0) (-x,-x,1;mx,mx,0) (x,-x,1;mx,-mx,0) (-x,x,1;-mx,mx,0) 4g (0,1/2,z;0,0,0) (-1/2,0,-z;0,0,0) (0,1/2,z+1;0,0,0) (-1/2,0,-z+1;0,0,0) 4f (1/2,1/2,z;0,0,0) (-1/2,-1/2,-z;0,0,0) (1/2,1/2,z+1;0,0,0) (-1/2,-1/2,-z+1;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 2d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2c (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8k (x,1/2,z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (1/2,-x,-z;-my,0,0) (x,1/2,z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) (1/2,x,-z+1/2;-my,0,0) (1/2,-x,-z+1/2;my,0,0) 8j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) (0,x,-z+1/2;-my,0,0) (0,-x,-z+1/2;my,0,0) 8i (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x,x,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (-x,x,1/4;mx,mx,-mz) (x,-x,1/4;-mx,-mx,-mz) 8h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) 4g (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 4f (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 2d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 115.7.947 P_P-4m2 UNI: 111.257 P-42m.1'_C[rP-4m2] BNS: 111.257 P_C-42m OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8k (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) (1,x,-z;-my,0,0) (1,-x,-z;my,0,0) 8i (x,x,1/2;mx,mx,0) (-x,-x,-1/2;-mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,-1/2;mx,-mx,0) (x+1,x,1/2;-mx,-mx,0) (-x+1,-x,-1/2;mx,mx,0) (x+1,-x,1/2;mx,-mx,0) (-x+1,x,-1/2;-mx,mx,0) 8h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1,x,0;-mx,-mx,0) (-x+1,-x,0;mx,mx,0) (x+1,-x,0;mx,-mx,0) (-x+1,x,0;-mx,mx,0) 4g (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z;0,mx,0) (-1/2,0,-z;0,-mx,0) 4f (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,-1/2,z;0,0,-mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 2d (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2c (1/2,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|1/2,1/2,0)' (2x|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8k (x,x+1/2,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x,-x,z;-mx,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x+1/2,-x+1/2,z;mx,-mx,0) (-x+1/2,x+1/2,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 8i (0,y,1/2;0,my,0) (0,-y,1/2;0,-my,0) (y,0,1/2;-my,0,0) (-y,0,1/2;my,0,0) (1/2,y+1/2,1/2;0,-my,0) (1/2,-y+1/2,1/2;0,my,0) (y+1/2,1/2,1/2;my,0,0) (-y+1/2,1/2,1/2;-my,0,0) 8h (0,y,0;0,my,0) (0,-y,0;0,-my,0) (y,0,0;-my,0,0) (-y,0,0;my,0,0) (1/2,y+1/2,0;0,-my,0) (1/2,-y+1/2,0;0,my,0) (y+1/2,1/2,0;my,0,0) (-y+1/2,1/2,0;-my,0,0) 4g (3/4,1/4,z;mx,mx,0) (1/4,3/4,z;-mx,-mx,0) (1/4,1/4,-z;-mx,mx,0) (3/4,3/4,-z;mx,-mx,0) 4f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2d (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 115.8.948 P_I-4m2 UNI: 121.332 I-42m.1'_c[rP-4m2] BNS: 121.332 I_c-42m OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) 16k (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 16j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1;0,-my,0) (-x,0,z+1;0,my,0) (0,x,-z+1;-my,0,0) (0,-x,-z+1;my,0,0) 16i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) (x,-x,-1/2;mx,mx,mz) (-x,x,-1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) 16h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x,x,1;-mx,-mx,0) (-x,-x,1;mx,mx,0) (x,-x,1;mx,-mx,0) (-x,x,1;-mx,mx,0) 8g (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z;0,mx,0) (-1/2,0,-z;0,-mx,0) 8f (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,-1/2,z;0,0,-mz) 8e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4d (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4c (1/2,1/2,1/2;0,0,mz) (-1/2,-1/2,-1/2;0,0,-mz) 4b (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (2z|0,0,1/2)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16k (x,x+1/2,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) 16j (x,x,z;mx,-mx,0) (-x,-x,z;-mx,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) 16i (0,y,1/4;mx,0,mz) (0,-y,1/4;-mx,0,mz) (0,y,3/4;-mx,0,-mz) (0,-y,3/4;mx,0,-mz) (y,0,3/4;0,mx,mz) (-y,0,3/4;0,-mx,mz) (-y,0,1/4;0,mx,-mz) (y,0,1/4;0,-mx,-mz) 16h (0,y,0;0,my,0) (0,-y,0;0,-my,0) (y,0,0;-my,0,0) (-y,0,0;my,0,0) (0,y,1/2;0,-my,0) (0,-y,1/2;0,my,0) (y,0,1/2;my,0,0) (-y,0,1/2;-my,0,0) 8g (3/4,1/4,z;mx,mx,0) (1/4,3/4,z;-mx,-mx,0) (1/4,1/4,-z;-mx,mx,0) (3/4,3/4,-z;mx,-mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 8e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4d (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4c (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 115.9.949 P_2c-4'm'2 UNI: 116.296 P-4c2.1'_c[P-4m2] BNS: 116.296 P_c-4c2 OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|0,0,1) (my|0,0,1) (1|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8k (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (1/2,-x,-z+1;0,mx,mz) (-1/2,x,-z+1;0,-mx,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) 8j (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) (0,-x,-z+1;0,mx,mz) (0,x,-z+1;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) 8i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x,-x,-1/2;mx,-mx,-mz) (x,-x,1/2;mx,mx,mz) (-x,x,1/2;-mx,-mx,mz) (-x,x,3/2;mx,mx,-mz) (x,-x,3/2;-mx,-mx,-mz) 8h (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,1;-mx,mx,0) (-x,x,1;mx,-mx,0) (x,x,1;-mx,-mx,0) (-x,-x,1;mx,mx,0) (x,-x,0;mx,-mx,0) (-x,x,0;-mx,mx,0) 4g (0,1/2,z;0,0,mz) (-1/2,0,-z;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,1/2,z+1;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z+1;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,z+1;0,0,-mz) 2d (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2c (1/2,1/2,1/2;0,0,mz) (-1/2,-1/2,-1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,0) (-1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8k (x,1/2,z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z+1/2;0,mx,-mz) (1/2,-x,-z+1/2;0,-mx,-mz) (1/2,-x,-z;0,mx,mz) (1/2,x,-z;0,-mx,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) 8j (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z+1/2;0,mx,-mz) (0,-x,-z+1/2;0,-mx,-mz) (0,-x,-z;0,mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) 8i (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x,x,1/2;-mx,mx,-mz) (-x,-x,1/2;mx,-mx,-mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) (-x,x,1/2;mx,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) 8h (x,x,3/4;mx,mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,1/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) 4g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4f (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 2d (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 115.10.950 P_P-4'm2' UNI: 113.273 P-42_1m.1'_C[rP-4m2] BNS: 113.273 P_C-42_1m OG-BNS transformation: (1/2,-1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,0) (my|0,0,0) (1|1,0,0)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,0)' (my|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) 8k (x,1/2,z;mx,0,mz) (-x,-1/2,z;-mx,0,mz) (3/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) (3/2,-x,-z;0,mx,mz) (1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) 8j (x,0,z;0,my,0) (-x,0,z;0,-my,0) (1,x,-z;my,0,0) (1,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (-x+1,0,z;0,my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 8i (x,x,1/2;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x+1,x,-1/2;-mx,mx,-mz) (-x+1,-x,-1/2;mx,-mx,-mz) (x+1,-x,-1/2;mx,mx,mz) (-x+1,x,-1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) 8h (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x+1,x,0;-mx,mx,-mz) (-x+1,-x,0;mx,-mx,-mz) (x+1,-x,0;mx,mx,mz) (-x+1,x,0;-mx,-mx,mz) (-x,x,0;mx,mx,-mz) (x,-x,0;-mx,-mx,-mz) 4g (0,1/2,z;mx,0,0) (0,-1/2,z;-mx,0,0) (3/2,0,-z;0,mx,0) (1/2,0,-z;0,-mx,0) 4f (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,-1/2,-z;0,0,mz) (1/2,-1/2,z;0,0,-mz) 4e (0,0,z;0,0,0) (1,0,-z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2c (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|1/2,1/2,0) (2x|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|0,0,0)' (2x|0,0,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16l (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8k (x,x,z;mx,mx,mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z;mx,mx,-mz) (x+1/2,x+1/2,z;-mx,-mx,-mz) 8j (x,x+1/2,z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x+1/2,-x,z;mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (x,-x+1/2,-z;-mx,-mx,0) 8i (1/2,y,1/2;mx,0,mz) (1/2,-y,1/2;-mx,0,mz) (0,y+1/2,1/2;-mx,0,-mz) (0,-y+1/2,1/2;mx,0,-mz) (y,1/2,1/2;0,mx,mz) (-y,1/2,1/2;0,-mx,mz) (-y+1/2,0,1/2;0,mx,-mz) (y+1/2,0,1/2;0,-mx,-mz) 8h (1/2,y,0;mx,0,mz) (1/2,-y,0;-mx,0,mz) (0,y+1/2,0;-mx,0,-mz) (0,-y+1/2,0;mx,0,-mz) (y,1/2,0;0,mx,mz) (-y,1/2,0;0,-mx,mz) (-y+1/2,0,0;0,mx,-mz) (y+1/2,0,0;0,-mx,-mz) 4g (1/4,1/4,z;mx,mx,0) (3/4,3/4,z;-mx,-mx,0) (1/4,3/4,-z;-mx,mx,0) (3/4,1/4,-z;mx,-mx,0) 4f (1/2,1/2,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z;0,0,-mz) 4e (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 2d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2c (1/2,1/2,1/2;0,0,mz) (0,0,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (0,0,0;0,0,-mz) 2a (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 116.1.951 P-4c2 UNI: 116.291 P-4c2.1 BNS: 116.291 P-4c2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4i (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4f (x,x,3/4;mx,mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) 4e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) 2d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 116.2.952 P-4c21' UNI: 116.292 P-4c2.1' BNS: 116.292 P-4c21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (x,x,3/4;0,0,0) (-x,-x,3/4;0,0,0) (x,-x,1/4;0,0,0) (-x,x,1/4;0,0,0) 4e (x,x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (x,-x,3/4;0,0,0) (-x,x,3/4;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 116.3.953 P-4'c'2 UNI: 116.293 P-4'c'2 BNS: 116.293 P-4'c'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4f (x,x,3/4;mx,mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,1/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) 4e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 116.4.954 P-4'c2' UNI: 116.294 P-4'c2' BNS: 116.294 P-4'c2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 4i (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4f (x,x,3/4;mx,-mx,mz) (-x,-x,3/4;-mx,mx,mz) (x,-x,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,-mz) 4e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2b (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 116.5.955 P-4c'2' UNI: 116.295 P-4c'2' BNS: 116.295 P-4c'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4f (x,x,3/4;mx,-mx,mz) (-x,-x,3/4;-mx,mx,mz) (x,-x,1/4;mx,mx,mz) (-x,x,1/4;-mx,-mx,mz) 4e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) 2d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2b (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 116.6.956 P_P-4c2 UNI: 112.265 P-42c.1'_C[rP-4c2] BNS: 112.265 P_C-42c OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8i (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z+1/2;my,mx,0) (-1/2,0,-z+1/2;-my,-mx,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,-1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,mz) (3/2,-1/2,-z;0,0,-mz) (3/2,-1/2,z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8f (x,x,3/4;mx,mx,0) (-x,-x,-1/4;-mx,-mx,0) (x,-x,5/4;-mx,mx,0) (-x,x,-3/4;mx,-mx,0) (x+1,x,3/4;-mx,-mx,0) (-x+1,-x,-1/4;mx,mx,0) (x+1,-x,5/4;mx,-mx,0) (-x+1,x,-3/4;-mx,mx,0) 8e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,-1/4;mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x+1,-x,1/4;mx,mx,0) (x+1,-x,3/4;mx,-mx,0) (-x+1,x,-1/4;-mx,mx,0) 4d (1/2,1/2,0;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) 4b (1/2,1/2,1/4;0,0,0) (1/2,-1/2,3/4;0,0,0) (3/2,1/2,1/4;0,0,0) (3/2,-1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1,0,1/4;0,0,0) (1,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|0,0,1/2) (2x|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8i (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,1/4,z+1/2;my,mx,0) (1/4,3/4,z+1/2;-my,-mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8f (0,y,3/4;0,my,0) (0,-y,3/4;0,-my,0) (y,0,1/4;-my,0,0) (-y,0,1/4;my,0,0) (1/2,y+1/2,3/4;0,-my,0) (1/2,-y+1/2,3/4;0,my,0) (y+1/2,1/2,1/4;my,0,0) (-y+1/2,1/2,1/4;-my,0,0) 8e (0,y,1/4;0,my,0) (0,-y,1/4;0,-my,0) (y,0,3/4;-my,0,0) (-y,0,3/4;my,0,0) (1/2,y+1/2,1/4;0,-my,0) (1/2,-y+1/2,1/4;0,my,0) (y+1/2,1/2,3/4;my,0,0) (-y+1/2,1/2,3/4;-my,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) ---------- OG: 116.7.957 P_P-4'c2' UNI: 114.281 P-42_1c.1'_C[rP-4c2] BNS: 114.281 P_C-42_1c OG-BNS transformation: (1/2,-1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1,0,0)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,z;-mx,-my,-mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) 8i (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z+1/2;my,mx,0) (1/2,0,-z+1/2;-my,-mx,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) 8h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,-mz) (3/2,-1/2,-z;0,0,mz) (1/2,-1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (-1/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (3/2,-1/2,z+1/2;0,0,mz) 8g (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8f (x,x,3/4;mx,-mx,mz) (-x,-x,3/4;-mx,mx,mz) (x+1,x,-1/4;-mx,mx,-mz) (-x+1,-x,-1/4;mx,-mx,-mz) (x+1,-x,-3/4;mx,mx,mz) (-x+1,x,-3/4;-mx,-mx,mz) (-x,x,5/4;mx,mx,-mz) (x,-x,5/4;-mx,-mx,-mz) 8e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) (x+1,-x,-1/4;mx,mx,mz) (-x+1,x,-1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) 4d (1/2,1/2,0;0,0,mz) (1/2,-1/2,1/2;0,0,-mz) (3/2,1/2,0;0,0,-mz) (-1/2,-1/2,1/2;0,0,mz) 4c (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (1/2,1/2,1/4;0,0,mz) (1/2,-1/2,1/4;0,0,-mz) (3/2,-1/2,-1/4;0,0,mz) (1/2,-1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8i (1/4,1/4,z;mx,my,0) (3/4,3/4,z;-mx,-my,0) (1/4,3/4,-z+1/2;-mx,my,0) (3/4,1/4,-z+1/2;mx,-my,0) (1/4,3/4,-z;-my,mx,0) (3/4,1/4,-z;my,-mx,0) (1/4,1/4,z+1/2;my,mx,0) (3/4,3/4,z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8g (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8f (1/2,y,3/4;mx,0,mz) (1/2,-y,3/4;-mx,0,mz) (0,y+1/2,3/4;-mx,0,-mz) (0,-y+1/2,3/4;mx,0,-mz) (y,1/2,1/4;0,mx,mz) (-y,1/2,1/4;0,-mx,mz) (-y+1/2,0,1/4;0,mx,-mz) (y+1/2,0,1/4;0,-mx,-mz) 8e (1/2,y,1/4;mx,0,mz) (1/2,-y,1/4;-mx,0,mz) (0,y+1/2,1/4;-mx,0,-mz) (0,-y+1/2,1/4;mx,0,-mz) (y,1/2,3/4;0,mx,mz) (-y,1/2,3/4;0,-mx,mz) (-y+1/2,0,3/4;0,mx,-mz) (y+1/2,0,3/4;0,-mx,-mz) 4d (1/2,1/2,0;0,0,mz) (0,0,1/2;0,0,-mz) (0,0,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4c (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4b (1/2,1/2,1/4;0,0,mz) (0,0,1/4;0,0,-mz) (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,-mz) 4a (1/2,0,1/4;0,0,mz) (0,1/2,1/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) ---------- OG: 117.1.958 P-4b2 UNI: 117.299 P-4b2.1 BNS: 117.299 P-4b2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 4h (x,x+1/2,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) 4g (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x+1/2,x,0;mx,-mx,0) 4f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 117.2.959 P-4b21' UNI: 117.300 P-4b2.1' BNS: 117.300 P-4b21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,0)' (2z|0,0,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z;0,0,0) (-y+1/2,-x+1/2,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) 4h (x,x+1/2,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) 4g (x,x+1/2,0;0,0,0) (-x,-x+1/2,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x+1/2,x,0;0,0,0) 4f (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 117.3.960 P-4'b'2 UNI: 117.301 P-4'b'2 BNS: 117.301 P-4'b'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4h (x,x+1/2,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x+1/2,x,1/2;-mx,mx,0) 4g (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;mx,-mx,0) (-x+1/2,x,0;-mx,mx,0) 4f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 117.4.961 P-4'b2' UNI: 117.302 P-4'b2' BNS: 117.302 P-4'b2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0) (my|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) 4h (x,x+1/2,1/2;mx,-mx,mz) (-x,-x+1/2,1/2;-mx,mx,mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (-x+1/2,x,1/2;mx,mx,-mz) 4g (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x+1/2,x,0;mx,mx,-mz) 4f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 117.5.962 P-4b'2' UNI: 117.303 P-4b'2' BNS: 117.303 P-4b'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 4h (x,x+1/2,1/2;mx,-mx,mz) (-x,-x+1/2,1/2;-mx,mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x+1/2,x,1/2;-mx,-mx,mz) 4g (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) 4f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- OG: 117.6.963 P_2c-4b2 UNI: 117.304 P-4b2.1'_c[P-4b2] BNS: 117.304 P_c-4b2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1)' (2z|0,0,1)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 8h (x,x+1/2,1/2;mx,-mx,mz) (-x,-x-1/2,1/2;-mx,mx,mz) (x+1,x+1/2,-1/2;-mx,mx,-mz) (-x,-x+1/2,-1/2;mx,-mx,-mz) (x+1/2,-x,-1/2;mx,mx,mz) (-x-1/2,x,-1/2;-mx,-mx,mz) (-x+1/2,x+1,1/2;mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) 8g (x,x+1/2,0;mx,mx,0) (-x,-x-1/2,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x+1/2,x+1,0;mx,-mx,0) (x,x+1/2,1;-mx,-mx,0) (-x,-x-1/2,1;mx,mx,0) (x+1/2,-x,1;mx,-mx,0) (-x+1/2,x+1,1;-mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,1/2,-z+1;0,0,mz) (1/2,0,-z+1;0,0,-mz) (1/2,1,z+1;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4d (0,1/2,1/2;0,0,mz) (0,1/2,-1/2;0,0,-mz) (1/2,0,-1/2;0,0,mz) (1/2,1,1/2;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,1,0;0,0,0) (0,1/2,1;0,0,0) (1/2,1,1;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,1;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|0,0,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x,x+1/2,3/4;-mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,-mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) 8g (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x,x+1/2,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x+1/2,x,1/2;-mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 117.7.964 P_2c-4'b'2 UNI: 118.312 P-4n2.1'_c[P-4b2] BNS: 118.312 P_c-4n2 OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|0,0,1)' (2z|0,0,1)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 8h (x,x+1/2,1/2;mx,-mx,mz) (-x,-x-1/2,1/2;-mx,mx,mz) (x+1,x+1/2,-1/2;-mx,mx,-mz) (-x,-x+1/2,-1/2;mx,-mx,-mz) (x+1/2,-x,1/2;mx,mx,mz) (-x-1/2,x,1/2;-mx,-mx,mz) (-x+1/2,x+1,3/2;mx,mx,-mz) (x+1/2,-x,3/2;-mx,-mx,-mz) 8g (x,x+1/2,0;mx,mx,0) (-x,-x-1/2,0;-mx,-mx,0) (x+1/2,-x,1;-mx,mx,0) (-x+1/2,x+1,1;mx,-mx,0) (x,x+1/2,1;-mx,-mx,0) (-x,-x-1/2,1;mx,mx,0) (x+1/2,-x,0;mx,-mx,0) (-x+1/2,x+1,0;-mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1;0,0,mz) (1/2,1,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (0,1/2,-z+1;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,1/2;0,0,mz) (0,1/2,-1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) (1/2,1,3/2;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,1,1;0,0,0) (0,1/2,1;0,0,0) (1/2,1,0;0,0,0) 4b (0,0,1/2;0,0,mz) (1/2,1/2,-1/2;0,0,-mz) (0,0,3/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,1;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 8h (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x,x+1/2,1/2;-mx,mx,-mz) (-x,-x+1/2,1/2;mx,-mx,-mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) 8g (x,x+1/2,3/4;mx,mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) 8f (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 4c (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4a (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 118.1.965 P-4n2 UNI: 118.307 P-4n2.1 BNS: 118.307 P-4n2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 4h (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4g (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) 4f (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x+1/2,x,3/4;-mx,-mx,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 118.2.966 P-4n21' UNI: 118.308 P-4n2.1' BNS: 118.308 P-4n21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,0)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) 4h (0,1/2,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) 4g (x,x+1/2,1/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (x+1/2,-x,3/4;0,0,0) (-x+1/2,x,3/4;0,0,0) 4f (x,-x+1/2,1/4;0,0,0) (-x,x+1/2,1/4;0,0,0) (-x+1/2,-x,3/4;0,0,0) (x+1/2,x,3/4;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 118.3.967 P-4'n'2 UNI: 118.309 P-4'n'2 BNS: 118.309 P-4'n'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4h (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4g (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) 4f (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x+1/2,x,3/4;mx,mx,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 118.4.968 P-4'n2' UNI: 118.310 P-4'n2' BNS: 118.310 P-4'n2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) 4h (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4g (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x+1/2,x,3/4;mx,mx,-mz) 4f (x,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (x+1/2,x,3/4;-mx,mx,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 2c (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 118.5.969 P-4n'2' UNI: 118.311 P-4n'2' BNS: 118.311 P-4n'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 8i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 4h (0,1/2,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4g (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) 4f (x,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x+1/2,x,3/4;mx,-mx,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 2d (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,mz) 2c (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 118.6.970 P_I-4n2 UNI: 122.338 I-42d.1'_c[rP-4n2] BNS: 122.338 I_c-42d OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|0,0,1)' (2z|0,0,1)' (2xy|1/2,1/2,3/2)' (2-xy|1/2,1/2,3/2)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|1/2,1/2,3/2)' (my|1/2,1/2,3/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,z+1;-mx,-my,-mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+3/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+3/2;my,mx,mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x+1/2,y+1/2,z+3/2;-mx,my,mz) (x+1/2,-y+1/2,z+3/2;mx,-my,mz) 16h (0,1/2,z;mx,my,0) (0,-1/2,z;-mx,-my,0) (1,1/2,-z+1/2;my,mx,0) (0,1/2,-z+1/2;-my,-mx,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (1/2,1,z+1/2;mx,-my,0) (1/2,0,z+1/2;-mx,my,0) 16g (x,x+1/2,1/4;mx,-mx,mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1,x+1/2,1/4;-mx,mx,-mz) (-x,-x+1/2,1/4;mx,-mx,-mz) (x+1/2,-x,-1/4;mx,mx,mz) (-x-1/2,x,-1/4;-mx,-mx,mz) (-x+1/2,x+1,3/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) 16f (x,-x+1/2,1/4;mx,-mx,0) (-x+1,x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,-1/4;mx,mx,0) (x+1/2,x,3/4;-mx,-mx,0) (x,-x+1/2,5/4;-mx,mx,0) (-x+1,x+1/2,5/4;mx,-mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x+1/2,x,7/4;mx,mx,0) 16e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+3/2;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+3/2;0,0,mz) 8d (0,1/2,3/4;mx,mx,0) (0,1/2,-1/4;-mx,-mx,0) (1/2,0,5/4;-mx,mx,0) (-1/2,0,-3/4;mx,-mx,0) 8c (0,1/2,1/4;mx,-mx,0) (1,1/2,1/4;-mx,mx,0) (1/2,0,-1/4;mx,mx,0) (1/2,0,3/4;-mx,-mx,0) 8b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1;0,0,0) 8a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,3/2;0,0,mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2y|0,1/2,1/4) (2x|0,1/2,1/4) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) (1|0,0,1/2)' (2z|0,0,1/2)' (2y|1/2,0,1/4)' (2x|1/2,0,1/4)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|1/2,0,1/4)' (m-xy|1/2,0,1/4)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+1/2,y,-z+1/4;mx,-my,mz) (x+1/2,-y,-z+1/4;-mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x,z+1/4;-my,-mx,mz) (y+1/2,x,z+1/4;my,mx,mz) 16h (3/4,1/4,z;mx,my,0) (1/4,3/4,z;-mx,-my,0) (1/4,3/4,-z+1/4;-mx,my,0) (3/4,1/4,-z+1/4;mx,-my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,3/4,z+1/4;my,mx,0) (1/4,1/4,z+1/4;-my,-mx,0) 16g (3/4,y,1/8;mx,0,mz) (1/4,-y,1/8;-mx,0,mz) (1/4,y+1/2,1/8;-mx,0,-mz) (3/4,-y+1/2,1/8;mx,0,-mz) (y,1/4,7/8;0,mx,mz) (-y,3/4,7/8;0,-mx,mz) (-y,3/4,3/8;0,mx,-mz) (y,1/4,3/8;0,-mx,-mz) 16f (x,1/4,1/8;mx,0,0) (-x,3/4,1/8;-mx,0,0) (1/4,-x,7/8;0,mx,0) (1/4,x+1/2,3/8;0,-mx,0) (x,1/4,5/8;-mx,0,0) (-x+1/2,1/4,1/8;mx,0,0) (1/4,-x,3/8;0,-mx,0) (3/4,x,3/8;0,mx,0) 16e (0,0,z;0,0,mz) (0,1/2,-z+1/4;0,0,-mz) (0,0,-z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,0,-z+1/4;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,0,z+1/4;0,0,mz) 8d (3/4,1/4,3/8;0,my,0) (3/4,1/4,7/8;0,-my,0) (1/4,1/4,5/8;-my,0,0) (3/4,3/4,5/8;my,0,0) 8c (3/4,1/4,1/8;mx,0,0) (1/4,3/4,1/8;-mx,0,0) (1/4,1/4,7/8;0,mx,0) (1/4,1/4,3/8;0,-mx,0) 8b (0,0,1/4;0,0,0) (0,1/2,0;0,0,0) (0,0,3/4;0,0,0) (0,1/2,1/2;0,0,0) 8a (0,0,0;0,0,mz) (0,1/2,1/4;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,0,1/4;0,0,mz) ---------- OG: 119.1.971 I-4m2 UNI: 119.315 I-4m2.1 BNS: 119.315 I-4m2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 8i (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) 8h (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) 8g (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 119.2.972 I-4m21' UNI: 119.316 I-4m2.1' BNS: 119.316 I-4m21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) 8i (x,0,z;0,0,0) (-x,0,z;0,0,0) (0,x,-z;0,0,0) (0,-x,-z;0,0,0) 8h (x,x+1/2,1/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (x,-x+1/2,1/4;0,0,0) (-x,x+1/2,1/4;0,0,0) 8g (x,x,0;0,0,0) (-x,-x,0;0,0,0) (x,-x,0;0,0,0) (-x,x,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 119.3.973 I-4'm'2 UNI: 119.317 I-4'm'2 BNS: 119.317 I-4'm'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) 8h (x,x+1/2,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) 8g (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;mx,-mx,0) (-x,x,0;-mx,mx,0) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 119.4.974 I-4'm2' UNI: 119.318 I-4'm2' BNS: 119.318 I-4'm2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) 8i (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) 8g (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;-mx,-mx,-mz) (-x,x,0;mx,mx,-mz) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (0,1/2,3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 119.5.975 I-4m'2' UNI: 119.319 I-4m'2' BNS: 119.319 I-4m'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,-mx,mz) (0,-x,-z;0,mx,mz) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) 8g (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (0,1/2,3/4;0,0,mz) 2c (0,1/2,1/4;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 119.6.976 I_P-4m2 UNI: 115.290 P-4m2.1'_I[I-4m2] BNS: 115.290 P_I-4m2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) (1/2,x+1/2,-z+1/2;-my,0,0) (1/2,-x+1/2,-z+1/2;my,0,0) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (x+1/2,-x,-1/4;mx,mx,mz) (-x-1/2,x,-1/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,-x-1/2,1/4;-mx,-mx,-mz) 8g (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) 4f (0,1/2,z;0,0,0) (-1/2,0,-z;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 2d (0,1/2,3/4;0,0,0) (-1/2,0,-3/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (-1/2,0,-1/4;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) 8i (x,0,z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x+1/2,1/2,z+1/2;0,-my,0) (-x+1/2,1/2,z+1/2;0,my,0) (1/2,x+1/2,-z+1/2;-my,0,0) (1/2,-x+1/2,-z+1/2;my,0,0) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,-x+1/2,1/4;-mx,-mx,-mz) 8g (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) 4f (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 2d (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 119.7.977 I_P-4'm'2 UNI: 118.314 P-4n2.1'_I[I-4m2] BNS: 118.314 P_I-4n2 OG-BNS transformation: (1/2,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) (1/2,-x+1/2,-z+1/2;0,mx,mz) (1/2,x+1/2,-z+1/2;0,-mx,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 8h (x,x+1/2,1/4;mx,-mx,mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (x+1,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,x+1,3/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) 8g (x,x,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x,-x,0;mx,-mx,0) (-x,x,0;-mx,mx,0) 4f (0,1/2,z;0,0,mz) (-1/2,0,-z;0,0,-mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 2d (0,1/2,3/4;0,0,mz) (-1/2,0,-3/4;0,0,-mz) 2c (0,1/2,1/4;0,0,mz) (-1/2,0,-1/4;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) 8i (x,0,z;mx,0,mz) (-x,0,z;-mx,0,mz) (1/2,x+1/2,-z+1/2;0,mx,-mz) (1/2,-x+1/2,-z+1/2;0,-mx,-mz) (0,-x,-z;0,mx,mz) (0,x,-z;0,-mx,mz) (-x+1/2,1/2,z+1/2;mx,0,-mz) (x+1/2,1/2,z+1/2;-mx,0,-mz) 8h (x,x,0;mx,-mx,mz) (-x,-x,0;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,1/2;mx,-mx,-mz) (x,-x,0;mx,mx,mz) (-x,x,0;-mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,-mz) 8g (x,x+1/2,3/4;mx,mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) 4f (1/2,1/2,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4e (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 2d (1/2,1/2,1/2;0,0,mz) (0,0,0;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (0,0,1/2;0,0,-mz) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 120.1.978 I-4c2 UNI: 120.321 I-4c2.1 BNS: 120.321 I-4c2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 8h (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) 8g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 120.2.979 I-4c21' UNI: 120.322 I-4c2.1' BNS: 120.322 I-4c21' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) 8h (x,x+1/2,0;0,0,0) (-x,-x+1/2,0;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (x,x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (x,-x,3/4;0,0,0) (-x,x,3/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 120.3.980 I-4'c'2 UNI: 120.323 I-4'c'2 BNS: 120.323 I-4'c'2 Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) 8g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 120.4.981 I-4'c2' UNI: 120.324 I-4'c2' BNS: 120.324 I-4'c2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) 8h (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 120.5.982 I-4c'2' UNI: 120.325 I-4c'2' BNS: 120.325 I-4c'2' Operators: (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) 8g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) 4d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 4c (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 120.6.983 I_P-4c2 UNI: 116.298 P-4c2.1'_I[I-4c2] BNS: 116.298 P_I-4c2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) 8h (x,x+1/2,0;mx,-mx,mz) (-x,-x-1/2,0;-mx,mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x-1/2,-x,1/2;mx,-mx,-mz) (x+1/2,-x,0;mx,mx,mz) (-x-1/2,x,0;-mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,-mz) (x,-x-1/2,1/2;-mx,-mx,-mz) 8g (0,1/2,z;0,0,mz) (-1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,1/2,-z+1;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (1/2,1,z+1;0,0,mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (x+1/2,-x+1/2,5/4;mx,-mx,0) (-x+1/2,x+1/2,5/4;-mx,mx,0) 4d (0,1/2,0;0,0,mz) (-1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (0,1/2,3/4;0,0,0) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,1;0,0,mz) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,5/4;0,0,0) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) 8h (x,x+1/2,0;mx,-mx,mz) (-x,-x+1/2,0;-mx,mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x+1/2,-x,0;mx,mx,mz) (-x+1/2,x,0;-mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,-mz) (x,-x+1/2,1/2;-mx,-mx,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8e (x,x,1/4;mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 120.7.984 I_P-4c'2' UNI: 117.306 P-4b2.1'_I[I-4c2] BNS: 117.306 P_I-4b2 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (x,x+1/2,0;mx,mx,0) (-x,-x-1/2,0;-mx,-mx,0) (x+1/2,-x,1;-mx,mx,0) (-x+1/2,x+1,1;mx,-mx,0) (x+1/2,x+1,1/2;-mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,-x-1/2,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) 8g (0,1/2,z;0,0,mz) (0,1/2,-z+1;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (-1/2,0,-z+1/2;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8f (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (x,-x,-1/4;mx,mx,mz) (-x,x,-1/4;-mx,-mx,mz) (-x+1/2,x+1/2,5/4;mx,mx,-mz) (x+1/2,-x+1/2,5/4;-mx,-mx,-mz) 4d (0,1/2,0;0,0,0) (1/2,1,1;0,0,0) (1/2,1,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,-1/4;0,0,0) (1/2,1,5/4;0,0,0) 4b (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,5/4;0,0,-mz) Operators (BNS): (1|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (1|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 16i (x,y,z;mx,my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) 8h (x,x+1/2,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) 8g (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8f (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (x,x,1/4;mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,-mz) (x+1/2,-x+1/2,1/4;-mx,-mx,-mz) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) ---------- OG: 121.1.985 I-42m UNI: 121.327 I-42m.1 BNS: 121.327 I-42m Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) 8g (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,mx,0) (0,x,1/2;0,-mx,0) 8f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 121.2.986 I-42m1' UNI: 121.328 I-42m.1' BNS: 121.328 I-42m1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 8i (x,x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) 8h (0,1/2,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z;0,0,0) 8g (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,-x,1/2;0,0,0) (0,x,1/2;0,0,0) 8f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,-x,0;0,0,0) (0,x,0;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 121.3.987 I-4'2'm UNI: 121.329 I-4'2'm BNS: 121.329 I-4'2'm Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,-mz) 8g (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 8f (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) (0,-x,0;my,0,-mz) (0,x,0;-my,0,-mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 121.4.988 I-4'2m' UNI: 121.330 I-4'2m' BNS: 121.330 I-4'2m' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) 8h (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,mz) 8g (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (0,x,1/2;0,mx,0) 8f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,-mx,0) (0,x,0;0,mx,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 121.5.989 I-42'm' UNI: 121.331 I-42'm' BNS: 121.331 I-42'm' Operators: (1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) 8h (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,mz) 8g (x,0,1/2;0,my,mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;-my,0,mz) (0,x,1/2;my,0,mz) 8f (x,0,0;0,my,mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 121.6.990 I_P-42m UNI: 111.258 P-42m.1'_I[I-42m] BNS: 111.258 P_I-42m OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 8h (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8g (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (0,-x,-1/2;0,mx,0) (0,x,1/2;0,-mx,0) (x+1/2,1/2,1;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (1/2,-x+1/2,0;0,-mx,0) (1/2,x+1/2,1;0,mx,0) 8f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,-x+1/2,1/2;0,-mx,0) (1/2,x+1/2,1/2;0,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,0,-1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8g (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,mx,0) (0,x,1/2;0,-mx,0) (x+1/2,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (1/2,-x+1/2,0;0,-mx,0) (1/2,x+1/2,0;0,mx,0) 8f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,-x+1/2,1/2;0,-mx,0) (1/2,x+1/2,1/2;0,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 121.7.991 I_P-4'2'm UNI: 113.274 P-42_1m.1'_I[I-42m] BNS: 113.274 P_I-42_1m OG-BNS transformation: (1/2,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8i (x,x,z;mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) 8h (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1,1/2,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1,1/2,z+1/2;0,0,mz) 8g (x,0,1/2;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (1/2,-x+1/2,0;-my,0,mz) (1/2,x+1/2,0;my,0,mz) (0,-x,1/2;my,0,-mz) (0,x,1/2;-my,0,-mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (1/2,-x+1/2,1/2;-my,0,mz) (1/2,x+1/2,1/2;my,0,mz) (0,-x,0;my,0,-mz) (0,x,0;-my,0,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,1,3/4;0,0,-mz) (0,-1/2,-1/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8i (x,x+1/2,z;mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (x,-x+1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) 8h (1/2,1/2,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8g (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (1/2,-x+1/2,1/4;my,0,-mz) (1/2,x+1/2,1/4;-my,0,-mz) 8f (x,0,3/4;0,my,mz) (x+1/2,1/2,1/4;0,-my,-mz) (-x+1/2,1/2,1/4;0,my,-mz) (-x,0,3/4;0,-my,mz) (0,-x,1/4;-my,0,mz) (0,x,1/4;my,0,mz) (1/2,-x+1/2,3/4;my,0,-mz) (1/2,x+1/2,3/4;-my,0,-mz) 4e (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 4d (1/2,1/2,0;0,0,mz) (0,0,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4c (1/2,1/2,3/4;0,0,mz) (0,0,1/4;0,0,-mz) (1/2,1/2,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 121.8.992 I_P-4'2m' UNI: 112.266 P-42c.1'_I[I-42m] BNS: 112.266 P_I-42c OG-BNS transformation: (1/2,0,1/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 8h (0,1/2,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (1,1/2,-z+1/2;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z;0,0,mz) 8g (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (1/2,-x+1/2,0;0,mx,0) (1/2,x+1/2,1;0,-mx,0) (x+1/2,1/2,1;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (0,-x,-1/2;0,-mx,0) (0,x,1/2;0,mx,0) 8f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (0,-x,0;0,-mx,0) (0,x,0;0,mx,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (0,-1/2,-1/4;0,0,-mz) (1/2,1,3/4;0,0,-mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8i (x,x+1/2,z;mx,mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,z;0,0,mz) 8g (x,0,1/4;mx,0,0) (-x,0,1/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x+1/2,1/2,3/4;-mx,0,0) (-x+1/2,1/2,3/4;mx,0,0) (1/2,-x+1/2,1/4;0,-mx,0) (1/2,x+1/2,1/4;0,mx,0) 8f (x,0,3/4;mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x+1/2,1/2,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (1/2,-x+1/2,3/4;0,-mx,0) (1/2,x+1/2,3/4;0,mx,0) 4e (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (0,0,0;0,0,mz) 4c (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2b (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 2a (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 121.9.993 I_P-42'm' UNI: 114.282 P-42_1c.1'_I[I-42m] BNS: 114.282 P_I-42_1c OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 8h (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1,1/2,z+1/2;0,0,-mz) (1/2,1,z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1,1/2,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8g (x,0,1/2;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,-x,-1/2;-my,0,mz) (0,x,-1/2;my,0,mz) (1/2,-x+1/2,1;my,0,-mz) (1/2,x+1/2,1;-my,0,-mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) (1/2,-x+1/2,1/2;my,0,-mz) (1/2,x+1/2,1/2;-my,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (1,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (1,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 16j (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 8h (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 8g (x,0,1/2;0,my,mz) (x+1/2,1/2,0;0,-my,-mz) (-x+1/2,1/2,0;0,my,-mz) (-x,0,1/2;0,-my,mz) (0,-x,1/2;-my,0,mz) (0,x,1/2;my,0,mz) (1/2,-x+1/2,0;my,0,-mz) (1/2,x+1/2,0;-my,0,-mz) 8f (x,0,0;0,my,mz) (x+1/2,1/2,1/2;0,-my,-mz) (-x+1/2,1/2,1/2;0,my,-mz) (-x,0,0;0,-my,mz) (0,-x,0;-my,0,mz) (0,x,0;my,0,mz) (1/2,-x+1/2,1/2;my,0,-mz) (1/2,x+1/2,1/2;-my,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 122.1.994 I-42d UNI: 122.333 I-42d.1 BNS: 122.333 I-42d Operators: (1|0,0,0) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) 8d (x,1/4,1/8;mx,0,0) (-x,3/4,1/8;-mx,0,0) (1/4,-x,7/8;0,mx,0) (1/4,x+1/2,3/8;0,-mx,0) 8c (0,0,z;0,0,mz) (0,1/2,-z+1/4;0,0,-mz) (0,0,-z;0,0,mz) (0,1/2,z+1/4;0,0,-mz) 4b (0,0,1/2;0,0,mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,0;0,0,mz) (0,1/2,1/4;0,0,-mz) ---------- OG: 122.2.995 I-42d1' UNI: 122.334 I-42d.1' BNS: 122.334 I-42d1' Operators: (1|0,0,0) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) (1|0,0,0)' (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;0,0,0) (x,-y+1/2,-z+1/4;0,0,0) (-x,y+1/2,-z+1/4;0,0,0) (-x,-y,z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x+1/2,z+1/4;0,0,0) (y,x+1/2,z+1/4;0,0,0) 8d (x,1/4,1/8;0,0,0) (-x,3/4,1/8;0,0,0) (1/4,-x,7/8;0,0,0) (1/4,x+1/2,3/8;0,0,0) 8c (0,0,z;0,0,0) (0,1/2,-z+1/4;0,0,0) (0,0,-z;0,0,0) (0,1/2,z+1/4;0,0,0) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 122.3.996 I-4'2'd UNI: 122.335 I-4'2'd BNS: 122.335 I-4'2'd Operators: (1|0,0,0) (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,1/2,1/4) (m-xy|0,1/2,1/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x+1/2,z+1/4;my,mx,-mz) (y,x+1/2,z+1/4;-my,-mx,-mz) 8d (x,1/4,1/8;0,my,mz) (-x,3/4,1/8;0,-my,mz) (3/4,-x+1/2,3/8;my,0,-mz) (1/4,x+1/2,3/8;-my,0,-mz) 8c (0,0,z;0,0,mz) (0,1/2,-z+1/4;0,0,mz) (0,0,-z;0,0,-mz) (0,1/2,z+1/4;0,0,-mz) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 122.4.997 I-4'2d' UNI: 122.336 I-4'2d' BNS: 122.336 I-4'2d' Operators: (1|0,0,0) (2x|0,1/2,1/4) (2y|0,1/2,1/4) (2z|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/4;mx,-my,-mz) (-x,y+1/2,-z+1/4;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x+1/2,z+1/4;-my,-mx,mz) (y,x+1/2,z+1/4;my,mx,mz) 8d (x,1/4,1/8;mx,0,0) (-x,3/4,1/8;-mx,0,0) (1/4,-x,7/8;0,-mx,0) (1/4,x+1/2,3/8;0,mx,0) 8c (0,0,z;0,0,mz) (0,1/2,-z+1/4;0,0,-mz) (0,0,-z;0,0,-mz) (0,1/2,z+1/4;0,0,mz) 4b (0,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 122.5.998 I-42'd' UNI: 122.337 I-42'd' BNS: 122.337 I-42'd' Operators: (1|0,0,0) (2x|0,1/2,1/4)' (2y|0,1/2,1/4)' (2z|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,1/2,1/4)' (m-xy|0,1/2,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 16e (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/4;-mx,my,mz) (-x,y+1/2,-z+1/4;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x+1/2,z+1/4;-my,-mx,mz) (y,x+1/2,z+1/4;my,mx,mz) 8d (x,1/4,1/8;0,my,mz) (-x,3/4,1/8;0,-my,mz) (1/4,-x,7/8;-my,0,mz) (3/4,x,7/8;my,0,mz) 8c (0,0,z;0,0,mz) (0,1/2,-z+1/4;0,0,mz) (0,0,-z;0,0,mz) (0,1/2,z+1/4;0,0,mz) 4b (0,0,1/2;0,0,mz) (0,1/2,3/4;0,0,mz) 4a (0,0,0;0,0,mz) (0,1/2,1/4;0,0,mz) ---------- OG: 123.1.999 P4/mmm UNI: 123.339 P4/mmm.1 BNS: 123.339 P4/mmm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8t (x,1/2,z;0,my,0) (1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (1/2,-x,-z;-my,0,0) 8s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) 8r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 4o (x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 4n (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 4m (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 4l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 4k (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.2.1000 P4/mmm1' UNI: 123.340 P4/mmm.1' BNS: 123.340 P4/mmm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 8t (x,1/2,z;0,0,0) (1/2,x,z;0,0,0) (1/2,-x,z;0,0,0) (x,1/2,-z;0,0,0) (-x,1/2,-z;0,0,0) (-x,1/2,z;0,0,0) (1/2,x,-z;0,0,0) (1/2,-x,-z;0,0,0) 8s (x,0,z;0,0,0) (0,x,z;0,0,0) (0,-x,z;0,0,0) (x,0,-z;0,0,0) (-x,0,-z;0,0,0) (-x,0,z;0,0,0) (0,x,-z;0,0,0) (0,-x,-z;0,0,0) 8r (x,x,z;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) 8q (x,y,1/2;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,1/2;0,0,0) (y,x,1/2;0,0,0) (-y,-x,1/2;0,0,0) 8p (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) (y,x,0;0,0,0) (-y,-x,0;0,0,0) 4o (x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 4n (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 4m (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 4l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 4k (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.3.1001 P4/m'mm UNI: 123.341 P4/m'mm BNS: 123.341 P4/m'mm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8t (x,1/2,z;0,my,0) (1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (x,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;-my,0,0) (1/2,-x,-z;my,0,0) 8s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,-my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 8r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8p (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 4o (x,1/2,1/2;0,my,0) (1/2,x,1/2;-my,0,0) (1/2,-x,1/2;my,0,0) (-x,1/2,1/2;0,-my,0) 4n (x,1/2,0;0,my,0) (1/2,x,0;-my,0,0) (1/2,-x,0;my,0,0) (-x,1/2,0;0,-my,0) 4m (x,0,1/2;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (-x,0,1/2;0,-my,0) 4l (x,0,0;0,my,0) (0,x,0;-my,0,0) (0,-x,0;my,0,0) (-x,0,0;0,-my,0) 4k (x,x,1/2;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) 4j (x,x,0;mx,-mx,0) (-x,x,0;mx,mx,0) (x,-x,0;-mx,-mx,0) (-x,-x,0;-mx,mx,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.4.1002 P4'/mm'm UNI: 123.342 P4'/mm'm BNS: 123.342 P4'/mm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8t (x,1/2,z;mx,0,mz) (1/2,x,z;0,-mx,-mz) (1/2,-x,z;0,mx,-mz) (x,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) 8s (x,0,z;mx,0,mz) (0,x,z;0,-mx,-mz) (0,-x,z;0,mx,-mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) 8r (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8p (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 4o (x,1/2,1/2;0,0,mz) (1/2,x,1/2;0,0,-mz) (1/2,-x,1/2;0,0,-mz) (-x,1/2,1/2;0,0,mz) 4n (x,1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) (-x,1/2,0;0,0,mz) 4m (x,0,1/2;0,0,mz) (0,x,1/2;0,0,-mz) (0,-x,1/2;0,0,-mz) (-x,0,1/2;0,0,mz) 4l (x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) (-x,0,0;0,0,mz) 4k (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2e (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.5.1003 P4'/mmm' UNI: 123.343 P4'/mmm' BNS: 123.343 P4'/mmm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8t (x,1/2,z;0,my,0) (1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;-my,0,0) (1/2,-x,-z;my,0,0) 8s (x,0,z;0,my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 8r (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 4o (x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 4n (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 4m (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 4l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 4k (x,x,1/2;0,0,mz) (-x,x,1/2;0,0,-mz) (x,-x,1/2;0,0,-mz) (-x,-x,1/2;0,0,mz) 4j (x,x,0;0,0,mz) (-x,x,0;0,0,-mz) (x,-x,0;0,0,-mz) (-x,-x,0;0,0,mz) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.6.1004 P4'/m'm'm UNI: 123.344 P4'/m'm'm BNS: 123.344 P4'/m'm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8t (x,1/2,z;mx,0,mz) (1/2,x,z;0,-mx,-mz) (1/2,-x,z;0,mx,-mz) (x,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,-mx,mz) (1/2,-x,-z;0,mx,mz) 8s (x,0,z;mx,0,mz) (0,x,z;0,-mx,-mz) (0,-x,z;0,mx,-mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,-mx,mz) (0,-x,-z;0,mx,mz) 8r (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8q (x,y,1/2;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8p (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 4o (x,1/2,1/2;mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,1/2;-mx,0,0) 4n (x,1/2,0;mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) 4m (x,0,1/2;mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) 4l (x,0,0;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,0;-mx,0,0) 4k (x,x,1/2;mx,-mx,0) (-x,x,1/2;-mx,-mx,0) (x,-x,1/2;mx,mx,0) (-x,-x,1/2;-mx,mx,0) 4j (x,x,0;mx,-mx,0) (-x,x,0;-mx,-mx,0) (x,-x,0;mx,mx,0) (-x,-x,0;-mx,mx,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.7.1005 P4/mm'm' UNI: 123.345 P4/mm'm' BNS: 123.345 P4/mm'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8t (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,1/2,-z;-mx,0,mz) (-x,1/2,-z;mx,0,mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,-mx,mz) (1/2,-x,-z;0,mx,mz) 8s (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z;-mx,0,mz) (-x,0,-z;mx,0,mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,-mx,mz) (0,-x,-z;0,mx,mz) 8r (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 4o (x,1/2,1/2;0,0,mz) (1/2,x,1/2;0,0,mz) (1/2,-x,1/2;0,0,mz) (-x,1/2,1/2;0,0,mz) 4n (x,1/2,0;0,0,mz) (1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (-x,1/2,0;0,0,mz) 4m (x,0,1/2;0,0,mz) (0,x,1/2;0,0,mz) (0,-x,1/2;0,0,mz) (-x,0,1/2;0,0,mz) 4l (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (-x,0,0;0,0,mz) 4k (x,x,1/2;0,0,mz) (-x,x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (-x,-x,1/2;0,0,mz) 4j (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (-x,-x,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2f (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2e (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 1d (1/2,1/2,1/2;0,0,mz) 1c (1/2,1/2,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 123.8.1006 P4'/m'mm' UNI: 123.346 P4'/m'mm' BNS: 123.346 P4'/m'mm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8t (x,1/2,z;0,my,0) (1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (x,1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (1/2,-x,-z;-my,0,0) 8s (x,0,z;0,my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) 8r (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8q (x,y,1/2;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8p (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 4o (x,1/2,1/2;0,my,0) (1/2,x,1/2;my,0,0) (1/2,-x,1/2;-my,0,0) (-x,1/2,1/2;0,-my,0) 4n (x,1/2,0;0,my,0) (1/2,x,0;my,0,0) (1/2,-x,0;-my,0,0) (-x,1/2,0;0,-my,0) 4m (x,0,1/2;0,my,0) (0,x,1/2;my,0,0) (0,-x,1/2;-my,0,0) (-x,0,1/2;0,-my,0) 4l (x,0,0;0,my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) (-x,0,0;0,-my,0) 4k (x,x,1/2;mx,mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) 4j (x,x,0;mx,mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 2h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.9.1007 P4/m'm'm' UNI: 123.347 P4/m'm'm' BNS: 123.347 P4/m'm'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8t (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) 8s (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z;mx,0,-mz) (-x,0,-z;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) 8r (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8p (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 4o (x,1/2,1/2;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 4n (x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) 4m (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) 4l (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 4k (x,x,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) 4j (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 2h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2e (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 1d (1/2,1/2,1/2;0,0,0) 1c (1/2,1/2,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 123.10.1008 P_2c4/mmm UNI: 123.348 P4/mmm.1'_c[P4/mmm] BNS: 123.348 P_c4/mmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16t (x,1/2,z;0,my,0) (-1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (x,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (-1/2,-x,-z;-my,0,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z+1;my,0,0) (1/2,-x,z+1;-my,0,0) (x,-1/2,-z+1;0,my,0) (-x,1/2,-z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) (1/2,x,-z+1;-my,0,0) (-1/2,-x,-z+1;my,0,0) 16s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1;0,-my,0) (0,x,z+1;my,0,0) (0,-x,z+1;-my,0,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) (0,x,-z+1;-my,0,0) (0,-x,-z+1;my,0,0) 16r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z+1;-mx,-mx,0) (x,-x,z+1;mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (-x,x,-z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) (x,x,-z+1;mx,-mx,0) (-x,-x,-z+1;-mx,mx,0) 16q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,-1/2;my,mx,0) (-y,-x,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,1;0,0,mz) (-y,-x,1;0,0,mz) 8o (x,1/2,1/2;0,my,0) (-1/2,x,1/2;-my,0,0) (1/2,-x,1/2;my,0,0) (x,-1/2,-1/2;0,-my,0) (-x,1/2,-1/2;0,my,0) (-x,-1/2,1/2;0,-my,0) (1/2,x,-1/2;my,0,0) (-1/2,-x,-1/2;-my,0,0) 8n (x,1/2,0;0,0,0) (-1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (x,1/2,1;0,0,0) (-1/2,x,1;0,0,0) (-1/2,-x,1;0,0,0) (-x,1/2,1;0,0,0) 8m (x,0,1/2;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (0,x,-1/2;my,0,0) (0,-x,-1/2;-my,0,0) 8l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (0,x,1;0,0,0) (0,-x,1;0,0,0) (-x,0,1;0,0,0) 8k (x,x,1/2;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (x,-x,-1/2;mx,mx,0) (-x,x,-1/2;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) (x,x,-1/2;-mx,mx,0) (-x,-x,-1/2;mx,-mx,0) 8j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x,x,1;0,0,0) (-x,x,1;0,0,0) (x,-x,1;0,0,0) (-x,-x,1;0,0,0) 8i (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z;0,0,0) (-1/2,0,-z;0,0,0) (0,1/2,z+1;0,0,0) (-1/2,0,z+1;0,0,0) (0,-1/2,-z+1;0,0,0) (-1/2,0,-z+1;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,-1/2,-z;0,0,0) (1/2,1/2,z+1;0,0,0) (1/2,-1/2,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4f (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (0,1/2,1;0,0,0) (-1/2,0,1;0,0,0) 4e (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (-1/2,0,-1/2;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16t (x,1/2,z;0,my,0) (1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z;my,0,0) (1/2,-x,-z;-my,0,0) (x,1/2,z+1/2;0,-my,0) (1/2,x,z+1/2;my,0,0) (1/2,-x,z+1/2;-my,0,0) (x,1/2,-z+1/2;0,my,0) (-x,1/2,-z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) (1/2,x,-z+1/2;-my,0,0) (1/2,-x,-z+1/2;my,0,0) 16s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1/2;0,-my,0) (0,x,z+1/2;my,0,0) (0,-x,z+1/2;-my,0,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) (0,x,-z+1/2;-my,0,0) (0,-x,-z+1/2;my,0,0) 16r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) 16q (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y,x,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y,-x,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8o (x,1/2,1/4;0,my,0) (1/2,x,1/4;-my,0,0) (1/2,-x,1/4;my,0,0) (x,1/2,3/4;0,-my,0) (-x,1/2,3/4;0,my,0) (-x,1/2,1/4;0,-my,0) (1/2,x,3/4;my,0,0) (1/2,-x,3/4;-my,0,0) 8n (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 8m (x,0,1/4;0,my,0) (0,x,1/4;-my,0,0) (0,-x,1/4;my,0,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) (0,x,3/4;my,0,0) (0,-x,3/4;-my,0,0) 8l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) 8k (x,x,1/4;mx,-mx,0) (-x,x,1/4;mx,mx,0) (x,-x,1/4;-mx,-mx,0) (x,-x,3/4;mx,mx,0) (-x,x,3/4;-mx,-mx,0) (-x,-x,1/4;-mx,mx,0) (x,x,3/4;-mx,mx,0) (-x,-x,3/4;mx,-mx,0) 8j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 8i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4e (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 123.11.1009 P_P4/mmm UNI: 123.349 P4/mmm.1'_C[rP4/mmm] BNS: 123.349 P_C4/mmm OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' (-1|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (-x,-1/2,-z;mx,0,mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 16s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (1,x,z;my,0,0) (1,-x,z;-my,0,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) (1,x,-z;-my,0,0) (1,-x,-z;my,0,0) 16r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z;-mx,-mx,0) (x+1,-x,z;mx,mx,0) (x+1,-x,-z;-mx,-mx,0) (-x+1,x,-z;mx,mx,0) (-x+1,-x,z;mx,-mx,0) (x+1,x,-z;mx,-mx,0) (-x+1,-x,-z;-mx,mx,0) 16q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y,x,-1/2;0,0,-mz) (-y,-x,-1/2;0,0,-mz) (x+1,y,1/2;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) (y+1,x,-1/2;0,0,mz) (-y+1,-x,-1/2;0,0,mz) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1,y,0;0,0,-mz) (-y+1,x,0;0,0,-mz) (y+1,-x,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) (y+1,x,0;0,0,mz) (-y+1,-x,0;0,0,mz) 8o (x,1/2,1/2;0,0,mz) (-1/2,x,1/2;0,0,mz) (1/2,-x,1/2;0,0,mz) (x,-1/2,-1/2;0,0,-mz) (-x,1/2,-1/2;0,0,-mz) (-x,-1/2,1/2;0,0,mz) (1/2,x,-1/2;0,0,-mz) (-1/2,-x,-1/2;0,0,-mz) 8n (x,1/2,0;0,0,mz) (-1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) 8m (x,0,1/2;0,0,0) (0,x,-1/2;0,0,0) (0,-x,-1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1,0,1/2;0,0,0) (1,x,-1/2;0,0,0) (1,-x,-1/2;0,0,0) (-x+1,0,1/2;0,0,0) 8l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (1,x,0;0,0,0) (1,-x,0;0,0,0) (-x+1,0,0;0,0,0) 8k (x,x,1/2;0,0,0) (-x,x,-1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,-1/2;0,0,0) (x+1,x,1/2;0,0,0) (-x+1,x,-1/2;0,0,0) (x+1,-x,1/2;0,0,0) (-x+1,-x,-1/2;0,0,0) 8j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x+1,x,0;0,0,0) (-x+1,x,0;0,0,0) (x+1,-x,0;0,0,0) (-x+1,-x,0;0,0,0) 8i (0,1/2,z;mx,0,0) (-1/2,0,z;0,mx,0) (1/2,0,z;0,-mx,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z;0,mx,0) (-1/2,0,-z;0,-mx,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (-1/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) 4f (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,0;0,0,0) 4e (0,1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,-1/2,1/2;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 2b (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (mz|0,0,0) (my|0,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|1/2,1/2,0)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (mz|1/2,1/2,0)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 16t (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,x,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (x,-x+1/2,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) 16s (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,-x,z;-mx,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x+1/2,-x+1/2,-z;-mx,mx,0) (-x+1/2,-x+1/2,z;mx,-mx,0) (-x+1/2,x+1/2,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 16r (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,-z;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (-y+1/2,1/2,z;0,-mx,0) (y+1/2,1/2,z;0,mx,0) (y+1/2,1/2,-z;0,-mx,0) (-y+1/2,1/2,-z;0,mx,0) (1/2,-y+1/2,z;mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) 16q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,0;0,0,-mz) (x,-y,0;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) 8o (x,x+1/2,1/2;0,0,mz) (-x+1/2,x,1/2;0,0,mz) (x+1/2,-x,1/2;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x+1/2,-x,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,mz) (-x,x+1/2,1/2;0,0,-mz) (x,-x+1/2,1/2;0,0,-mz) 8n (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x+1/2,x,0;0,0,-mz) (-x+1/2,-x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (-x,x+1/2,0;0,0,-mz) (x,-x+1/2,0;0,0,-mz) 8m (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8l (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,0;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x+1/2,-x+1/2,0;0,0,0) 8k (0,y,1/2;0,0,0) (-y,0,1/2;0,0,0) (y,0,1/2;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,1/2;0,0,0) (y+1/2,1/2,1/2;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 8j (0,y,0;0,0,0) (-y,0,0;0,0,0) (y,0,0;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (-y+1/2,1/2,0;0,0,0) (y+1/2,1/2,0;0,0,0) (1/2,-y+1/2,0;0,0,0) 8i (3/4,1/4,z;mx,mx,0) (3/4,3/4,z;-mx,mx,0) (1/4,1/4,z;mx,-mx,0) (1/4,3/4,-z;mx,mx,0) (3/4,1/4,-z;-mx,-mx,0) (1/4,3/4,z;-mx,-mx,0) (1/4,1/4,-z;-mx,mx,0) (3/4,3/4,-z;mx,-mx,0) 4h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) 4f (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 4e (3/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 123.12.1010 P_I4/mmm UNI: 139.540 I4/mmm.1'_c[rP4/mmm] BNS: 139.540 I_c4/mmm OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 64u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 32t (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (-x,-1/2,-z;mx,0,mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 32s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x,0,z+1;0,-my,0) (0,x,z+1;my,0,0) (0,-x,z+1;-my,0,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) (0,x,-z+1;-my,0,0) (0,-x,-z+1;my,0,0) 32r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z+1;-mx,-mx,0) (x,-x,z+1;mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (-x,x,-z+1;mx,mx,0) (-x,-x,z+1;mx,-mx,0) (x,x,-z+1;mx,-mx,0) (-x,-x,-z+1;-mx,mx,0) 32q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,-1/2;my,mx,0) (-y,-x,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 32p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,1;0,0,mz) (-y,-x,1;0,0,mz) 16o (x,1/2,1/2;mx,0,0) (1/2,x,-1/2;0,mx,0) (-1/2,-x,-1/2;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (-1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) (x,1/2,-1/2;-mx,0,0) 16n (x,1/2,0;0,0,mz) (-1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) 16m (x,0,1/2;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (0,x,-1/2;my,0,0) (0,-x,-1/2;-my,0,0) 16l (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (0,x,1;0,0,0) (0,-x,1;0,0,0) (-x,0,1;0,0,0) 16k (x,x,1/2;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (x,-x,-1/2;mx,mx,0) (-x,x,-1/2;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) (x,x,-1/2;-mx,mx,0) (-x,-x,-1/2;mx,-mx,0) 16j (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x,x,1;0,0,0) (-x,x,1;0,0,0) (x,-x,1;0,0,0) (-x,-x,1;0,0,0) 16i (0,1/2,z;mx,0,0) (-1/2,0,z;0,mx,0) (1/2,0,z;0,-mx,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z;0,mx,0) (-1/2,0,-z;0,-mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z;0,0,0) (-1/2,-1/2,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 8f (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,0;0,0,0) 8e (0,1/2,1/2;mx,0,0) (1/2,0,-1/2;0,mx,0) (-1/2,0,-1/2;0,-mx,0) (0,-1/2,1/2;-mx,0,0) 4d (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (mz|0,0,0) (my|0,0,0) (mx|0,0,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|0,0,1/2)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (mz|0,0,1/2)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 64u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,y,-z+1/2;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 32t (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,x,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (-x,x+1/2,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,-x,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (x,-x+1/2,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) 32s (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,-x,z;-mx,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (x,x,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) 32r (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,-z;-mx,0,0) (0,-y,-z;mx,0,0) (0,y,z+1/2;-mx,0,0) (-y,0,z+1/2;0,-mx,0) (y,0,z+1/2;0,mx,0) (y,0,-z+1/2;0,-mx,0) (-y,0,-z+1/2;0,mx,0) (0,-y,z+1/2;mx,0,0) (0,y,-z+1/2;mx,0,0) (0,-y,-z+1/2;-mx,0,0) 32q (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (y,x,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,1/4;-mx,-my,0) (-x,y,3/4;-mx,my,0) (x,-y,3/4;mx,-my,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-y,-x,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) (x,y,3/4;-mx,-my,0) (x,-y,1/4;-mx,my,0) (-x,y,1/4;mx,-my,0) 32p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,0;0,0,-mz) (x,-y,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) 16o (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 16n (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x+1/2,x,0;0,0,-mz) (-x+1/2,-x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (-x,x+1/2,0;0,0,-mz) (x,-x+1/2,0;0,0,-mz) 16m (x,x,1/4;mx,-mx,0) (-x,x,1/4;mx,mx,0) (x,-x,1/4;-mx,-mx,0) (x,x,3/4;-mx,mx,0) (-x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,mx,0) (-x,x,3/4;-mx,-mx,0) (x,-x,3/4;mx,mx,0) 16l (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x,x,1/2;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 16k (0,y,1/4;mx,0,0) (-y,0,1/4;0,mx,0) (y,0,1/4;0,-mx,0) (y,0,3/4;0,mx,0) (-y,0,3/4;0,-mx,0) (0,-y,1/4;-mx,0,0) (0,y,3/4;-mx,0,0) (0,-y,3/4;mx,0,0) 16j (0,y,0;0,0,0) (-y,0,0;0,0,0) (y,0,0;0,0,0) (0,-y,0;0,0,0) (0,y,1/2;0,0,0) (-y,0,1/2;0,0,0) (y,0,1/2;0,0,0) (0,-y,1/2;0,0,0) 16i (3/4,1/4,z;mx,mx,0) (3/4,3/4,z;-mx,mx,0) (1/4,1/4,z;mx,-mx,0) (1/4,3/4,-z;mx,mx,0) (3/4,1/4,-z;-mx,-mx,0) (1/4,3/4,z;-mx,-mx,0) (1/4,1/4,-z;-mx,mx,0) (3/4,3/4,-z;mx,-mx,0) 8h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 8f (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8e (3/4,1/4,1/4;mx,mx,0) (1/4,1/4,3/4;-mx,mx,0) (3/4,3/4,3/4;mx,-mx,0) (1/4,3/4,1/4;-mx,-mx,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 123.13.1011 P_2c4'/mm'm UNI: 132.456 P4_2/mcm.1'_c[P4/mmm] BNS: 132.456 P_c4_2/mcm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (2xy|0,0,1)' (2-xy|0,0,1)' (-1|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' (mxy|0,0,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32u (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (-1/2,x,z+1;0,mx,mz) (1/2,-x,z+1;0,-mx,mz) (x,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (-x,-1/2,-z;mx,0,mz) (1/2,-x,-z+1;0,mx,mz) (-1/2,x,-z+1;0,-mx,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 16s (x,0,z;mx,0,mz) (0,x,z+1;0,mx,mz) (0,-x,z+1;0,-mx,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z+1;0,mx,mz) (0,x,-z+1;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 16r (x,x,z;mx,-mx,0) (-x,x,z+1;mx,mx,0) (x,-x,z+1;-mx,-mx,0) (x,-x,-z+1;mx,mx,0) (-x,x,-z+1;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z+1;mx,-mx,0) (x,x,-z+1;mx,-mx,0) (-x,-x,-z+1;-mx,mx,0) 16q (x,y,1/2;mx,my,0) (-y,x,3/2;-my,mx,0) (y,-x,3/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,-1/2;my,mx,0) (-y,-x,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,1;0,0,mz) (y,-x,1;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,1;0,0,mz) (-y,-x,1;0,0,mz) 8o (x,1/2,1/2;mx,0,0) (-1/2,x,3/2;0,mx,0) (-1/2,-x,-1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) (x,-1/2,3/2;-mx,0,0) 8n (x,1/2,0;0,0,mz) (-1/2,x,1;0,0,mz) (1/2,-x,1;0,0,mz) (x,-1/2,1;0,0,-mz) (-x,1/2,1;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) 8m (x,0,1/2;mx,0,0) (0,x,3/2;0,mx,0) (0,-x,-1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (0,-x,1/2;0,mx,0) (0,x,1/2;0,-mx,0) (x,0,3/2;-mx,0,0) 8l (x,0,0;0,0,mz) (0,x,1;0,0,mz) (0,-x,1;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) 8k (x,x,1/2;mx,-mx,0) (-x,x,3/2;mx,mx,0) (x,-x,3/2;-mx,-mx,0) (x,-x,1/2;mx,mx,0) (-x,x,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) (x,x,-1/2;-mx,mx,0) (-x,-x,-1/2;mx,-mx,0) 8j (x,x,0;0,0,0) (-x,x,1;0,0,0) (x,-x,1;0,0,0) (-x,-x,0;0,0,0) (x,x,1;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1;0,0,0) 8i (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (-1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z+1;0,0,mz) (0,1/2,z+1;0,0,-mz) (1/2,0,z;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) (1/2,-1/2,-z+1;0,0,0) (-1/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,mz) (-1/2,0,1;0,0,mz) (0,-1/2,1;0,0,-mz) (-1/2,0,0;0,0,-mz) 4e (0,1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,-1/2,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (1/2,x,z+1/2;0,mx,mz) (1/2,-x,z+1/2;0,-mx,mz) (x,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) (-x,1/2,-z;mx,0,mz) (1/2,-x,-z+1/2;0,mx,mz) (1/2,x,-z+1/2;0,-mx,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 16s (x,0,z;mx,0,mz) (0,x,z+1/2;0,mx,mz) (0,-x,z+1/2;0,-mx,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z;0,mx,-mz) (0,-x,-z;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z+1/2;0,mx,mz) (0,x,-z+1/2;0,-mx,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) (0,-x,z;0,mx,-mz) (0,x,z;0,-mx,-mz) 16r (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) 16q (x,y,1/4;mx,my,0) (-y,x,3/4;-my,mx,0) (y,-x,3/4;my,-mx,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y,x,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,1/4;-my,mx,0) (-y,x,1/4;my,-mx,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y,-x,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8o (x,1/2,1/4;mx,0,0) (1/2,x,3/4;0,mx,0) (1/2,-x,3/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,1/4;0,mx,0) (1/2,x,1/4;0,-mx,0) (x,1/2,3/4;-mx,0,0) 8n (x,1/2,0;0,0,mz) (1/2,x,1/2;0,0,mz) (1/2,-x,1/2;0,0,mz) (x,1/2,1/2;0,0,-mz) (-x,1/2,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) 8m (x,0,1/4;mx,0,0) (0,x,3/4;0,mx,0) (0,-x,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x,0,3/4;-mx,0,0) 8l (x,0,0;0,0,mz) (0,x,1/2;0,0,mz) (0,-x,1/2;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) 8k (x,x,1/4;mx,-mx,0) (-x,x,3/4;mx,mx,0) (x,-x,3/4;-mx,-mx,0) (x,-x,1/4;mx,mx,0) (-x,x,1/4;-mx,-mx,0) (-x,-x,1/4;-mx,mx,0) (x,x,3/4;-mx,mx,0) (-x,-x,3/4;mx,-mx,0) 8j (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 123.14.1012 P_2c4'/mmm' UNI: 131.444 P4_2/mmc.1'_c[P4/mmm] BNS: 131.444 P_c4_2/mmc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1) (2-xy|0,0,1) (-1|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1)' (2y|0,0,1)' (2z|0,0,1)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1)' (my|0,0,1)' (mz|0,0,1)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32u (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1;-mx,my,mz) (-x,y,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1;-mx,my,mz) (x,-y,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;0,my,0) (-1/2,x,z+1;-my,0,0) (1/2,-x,z+1;my,0,0) (x,-1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,-1/2,z;0,-my,0) (1/2,x,-z+1;my,0,0) (-1/2,-x,-z+1;-my,0,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (x,-1/2,-z+1;0,my,0) (-x,1/2,-z+1;0,-my,0) (-x,-1/2,z+1;0,my,0) (1/2,x,-z;-my,0,0) (-1/2,-x,-z;my,0,0) 16s (x,0,z;0,my,0) (0,x,z+1;-my,0,0) (0,-x,z+1;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z+1;my,0,0) (0,-x,-z+1;-my,0,0) (x,0,z+1;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x,0,-z+1;0,my,0) (-x,0,-z+1;0,-my,0) (-x,0,z+1;0,my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 16r (x,x,z;mx,mx,mz) (-x,x,z+1;-mx,mx,mz) (x,-x,z+1;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1;mx,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z+1;-mx,mx,mz) (-x,x,-z+1;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16q (x,y,1/2;mx,my,0) (-y,x,3/2;-my,mx,0) (y,-x,3/2;my,-mx,0) (x,-y,-1/2;mx,-my,0) (-x,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,3/2;my,mx,0) (y,x,3/2;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,1;0,0,mz) (y,-x,1;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1;0,0,-mz) (-y,-x,1;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1;0,0,mz) (-x,y,1;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8o (x,1/2,1/2;0,my,0) (-1/2,x,3/2;-my,0,0) (1/2,-x,3/2;my,0,0) (x,-1/2,-1/2;0,-my,0) (-x,1/2,-1/2;0,my,0) (-x,-1/2,1/2;0,-my,0) (1/2,x,1/2;my,0,0) (-1/2,-x,1/2;-my,0,0) 8n (x,1/2,0;0,0,0) (-1/2,x,1;0,0,0) (-1/2,-x,1;0,0,0) (-x,1/2,0;0,0,0) (x,1/2,1;0,0,0) (-1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x,1/2,1;0,0,0) 8m (x,0,1/2;0,my,0) (0,x,3/2;-my,0,0) (0,-x,3/2;my,0,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (0,x,1/2;my,0,0) (0,-x,1/2;-my,0,0) 8l (x,0,0;0,0,0) (0,x,1;0,0,0) (0,-x,1;0,0,0) (-x,0,0;0,0,0) (x,0,1;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1;0,0,0) 8k (x,x,1/2;mx,mx,0) (-x,x,-1/2;-mx,mx,0) (x,-x,-1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,-x,-1/2;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (x,x,-1/2;-mx,-mx,0) 8j (x,x,0;0,0,mz) (-x,x,1;0,0,mz) (x,-x,1;0,0,mz) (x,-x,0;0,0,-mz) (-x,x,0;0,0,-mz) (-x,-x,0;0,0,mz) (x,x,1;0,0,-mz) (-x,-x,1;0,0,-mz) 8i (0,1/2,z;0,0,0) (-1/2,0,z+1;0,0,0) (0,-1/2,-z;0,0,0) (-1/2,0,-z+1;0,0,0) (0,1/2,z+1;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z+1;0,0,0) (-1/2,0,-z;0,0,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1;0,0,0) (1/2,-1/2,-z;0,0,0) (-1/2,-1/2,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) 4f (0,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (0,1/2,1;0,0,0) (-1/2,0,0;0,0,0) 4e (0,1/2,1/2;0,0,0) (-1/2,0,3/2;0,0,0) (0,-1/2,-1/2;0,0,0) (-1/2,0,1/2;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (-1/2,-1/2,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;0,my,0) (1/2,x,z+1/2;-my,0,0) (1/2,-x,z+1/2;my,0,0) (x,1/2,-z;0,-my,0) (-x,1/2,-z;0,my,0) (-x,1/2,z;0,-my,0) (1/2,x,-z+1/2;my,0,0) (1/2,-x,-z+1/2;-my,0,0) (x,1/2,z+1/2;0,-my,0) (1/2,x,z;my,0,0) (1/2,-x,z;-my,0,0) (x,1/2,-z+1/2;0,my,0) (-x,1/2,-z+1/2;0,-my,0) (-x,1/2,z+1/2;0,my,0) (1/2,x,-z;-my,0,0) (1/2,-x,-z;my,0,0) 16s (x,0,z;0,my,0) (0,x,z+1/2;-my,0,0) (0,-x,z+1/2;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z+1/2;my,0,0) (0,-x,-z+1/2;-my,0,0) (x,0,z+1/2;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x,0,-z+1/2;0,my,0) (-x,0,-z+1/2;0,-my,0) (-x,0,z+1/2;0,my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 16r (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (-x,x,-z+1/2;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 16q (x,y,1/4;mx,my,0) (-y,x,3/4;-my,mx,0) (y,-x,3/4;my,-mx,0) (x,-y,3/4;mx,-my,0) (-x,y,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y,x,1/4;my,mx,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,1/4;-my,mx,0) (-y,x,1/4;my,-mx,0) (-x,y,1/4;mx,-my,0) (x,-y,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y,-x,3/4;my,mx,0) (y,x,3/4;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8o (x,1/2,1/4;0,my,0) (1/2,x,3/4;-my,0,0) (1/2,-x,3/4;my,0,0) (x,1/2,3/4;0,-my,0) (-x,1/2,3/4;0,my,0) (-x,1/2,1/4;0,-my,0) (1/2,x,1/4;my,0,0) (1/2,-x,1/4;-my,0,0) 8n (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) (x,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,1/2;0,0,0) 8m (x,0,1/4;0,my,0) (0,x,3/4;-my,0,0) (0,-x,3/4;my,0,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) (0,x,1/4;my,0,0) (0,-x,1/4;-my,0,0) 8l (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) 8k (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 8j (x,x,0;0,0,mz) (-x,x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (x,-x,0;0,0,-mz) (-x,x,0;0,0,-mz) (-x,-x,0;0,0,mz) (x,x,1/2;0,0,-mz) (-x,-x,1/2;0,0,-mz) 8i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 123.15.1013 P_2c4/mm'm' UNI: 124.360 P4/mcc.1'_c[P4/mmm] BNS: 124.360 P_c4/mcc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (2xy|0,0,1) (2-xy|0,0,1) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,-1/2,-z+1;mx,0,-mz) (-x,1/2,-z+1;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z+1;0,mx,-mz) (-1/2,-x,-z+1;0,-mx,-mz) (-x,-1/2,-z;mx,0,mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z+1;mx,0,-mz) (x,-1/2,z+1;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (-1/2,-x,z+1;0,mx,-mz) (1/2,x,z+1;0,-mx,-mz) 16s (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z+1;0,mx,-mz) (0,-x,-z+1;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) (0,-x,z+1;0,mx,-mz) (0,x,z+1;0,-mx,-mz) 16r (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z+1;mx,-mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1;mx,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,x,z+1;mx,-mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,3/2;my,mx,0) (y,x,3/2;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1;0,0,-mz) (-y,-x,1;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8o (x,1/2,1/2;mx,0,0) (-1/2,x,1/2;0,mx,0) (-1/2,-x,1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (1/2,-x,-1/2;0,mx,0) (1/2,x,3/2;0,-mx,0) (x,-1/2,3/2;-mx,0,0) 8n (x,1/2,0;0,0,mz) (-1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x,-1/2,1;0,0,-mz) (-x,1/2,1;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,1;0,0,-mz) (-1/2,-x,1;0,0,-mz) 8m (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (0,-x,-1/2;0,mx,0) (0,x,3/2;0,-mx,0) (x,0,3/2;-mx,0,0) 8l (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) (0,x,1;0,0,-mz) (0,-x,1;0,0,-mz) 8k (x,x,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,-x,-1/2;mx,mx,0) (x,-x,3/2;-mx,mx,0) (-x,x,3/2;mx,-mx,0) (x,x,-1/2;-mx,-mx,0) 8j (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x,-x,1;0,0,-mz) (-x,x,1;0,0,-mz) (-x,-x,0;0,0,mz) (x,x,1;0,0,-mz) (-x,-x,1;0,0,-mz) 8i (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z+1;0,0,-mz) (-1/2,0,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1;0,0,-mz) (1/2,0,z+1;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (-1/2,1/2,z+1;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4f (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (0,-1/2,1;0,0,-mz) (-1/2,0,1;0,0,-mz) 4e (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,0,3/2;0,0,0) 2d (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,-1/2,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x,1/2,-z+1/2;mx,0,-mz) (-x,1/2,-z+1/2;-mx,0,-mz) (-x,1/2,z;-mx,0,mz) (1/2,x,-z+1/2;0,mx,-mz) (1/2,-x,-z+1/2;0,-mx,-mz) (-x,1/2,-z;mx,0,mz) (1/2,-x,-z;0,mx,mz) (1/2,x,-z;0,-mx,mz) (-x,1/2,z+1/2;mx,0,-mz) (x,1/2,z+1/2;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (1/2,-x,z+1/2;0,mx,-mz) (1/2,x,z+1/2;0,-mx,-mz) 16s (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z+1/2;mx,0,-mz) (-x,0,-z+1/2;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z+1/2;0,mx,-mz) (0,-x,-z+1/2;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1/2;mx,0,-mz) (x,0,z+1/2;-mx,0,-mz) (x,0,-z;-mx,0,mz) (0,-x,z+1/2;0,mx,-mz) (0,x,z+1/2;0,-mx,-mz) 16r (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 16q (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (x,-y,1/4;mx,-my,0) (-x,y,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y,x,1/4;my,mx,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-x,y,3/4;mx,-my,0) (x,-y,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y,-x,3/4;my,mx,0) (y,x,3/4;-my,-mx,0) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8o (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,mx,0) (1/2,-x,1/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) (x,1/2,3/4;-mx,0,0) 8n (x,1/2,0;0,0,mz) (1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x,1/2,1/2;0,0,-mz) (-x,1/2,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) (1/2,x,1/2;0,0,-mz) (1/2,-x,1/2;0,0,-mz) 8m (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) 8l (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (x,0,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (-x,0,0;0,0,mz) (0,x,1/2;0,0,-mz) (0,-x,1/2;0,0,-mz) 8k (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 8j (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x,-x,1/2;0,0,-mz) (-x,x,1/2;0,0,-mz) (-x,-x,0;0,0,mz) (x,x,1/2;0,0,-mz) (-x,-x,1/2;0,0,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4f (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) 4e (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 123.16.1014 P_P4/m'mm UNI: 129.421 P4/nmm.1'_C[rP4/mmm] BNS: 129.421 P_C4/nmm OG-BNS transformation: (-1/2,1,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (-1|1,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (-1/2,x,z;0,mx,mz) (1/2,-x,z;0,-mx,mz) (x+1,-1/2,-z;mx,0,-mz) (-x+1,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (3/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) (-x+1,-1/2,-z;mx,0,mz) (3/2,-x,-z;0,mx,mz) (1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1,1/2,-z;-mx,0,mz) (-1/2,-x,z;0,mx,-mz) (1/2,x,z;0,-mx,-mz) 16s (x,0,z;0,my,0) (0,x,z;-my,0,0) (0,-x,z;my,0,0) (x+1,0,-z;0,-my,0) (-x+1,0,-z;0,my,0) (-x,0,z;0,-my,0) (1,x,-z;my,0,0) (1,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (1,x,z;my,0,0) (1,-x,z;-my,0,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1,0,z;0,my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 16r (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x+1,-x,-z;mx,mx,0) (-x+1,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1,x,-z;-mx,mx,0) (-x+1,-x,-z;mx,-mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z;-mx,-mx,0) (x+1,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x+1,-x,z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1,-y,-1/2;mx,-my,0) (-x+1,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1,x,-1/2;my,mx,0) (-y+1,-x,-1/2;-my,-mx,0) (-x+1,-y,-1/2;mx,my,0) (y+1,-x,-1/2;-my,mx,0) (-y+1,x,-1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,-1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16p (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1,x,0;my,mx,0) (-y+1,-x,0;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y+1,-x,0;-my,mx,0) (-y+1,x,0;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y,-x,0;my,mx,0) (y,x,0;-my,-mx,0) 8o (x,1/2,1/2;mx,0,0) (3/2,x,-1/2;0,mx,0) (1/2,-x,-1/2;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (-x+1,-1/2,-1/2;mx,0,0) (-1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) (x+1,1/2,-1/2;-mx,0,0) 8n (x,1/2,0;mx,0,0) (3/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,-1/2,0;-mx,0,0) (-x+1,-1/2,0;mx,0,0) (-1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x+1,1/2,0;-mx,0,0) 8m (x,0,1/2;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (1,x,-1/2;my,0,0) (1,-x,-1/2;-my,0,0) 8l (x,0,0;0,my,0) (0,x,0;-my,0,0) (0,-x,0;my,0,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) (1,x,0;my,0,0) (1,-x,0;-my,0,0) 8k (x,x,1/2;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (x+1,-x,-1/2;mx,mx,0) (-x+1,x,-1/2;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) (x+1,x,-1/2;-mx,mx,0) (-x+1,-x,-1/2;mx,-mx,0) 8j (x,x,0;mx,-mx,0) (-x,x,0;mx,mx,0) (x,-x,0;-mx,-mx,0) (x+1,-x,0;mx,mx,0) (-x+1,x,0;-mx,-mx,0) (-x,-x,0;-mx,mx,0) (x+1,x,0;-mx,mx,0) (-x+1,-x,0;mx,-mx,0) 8i (0,1/2,z;mx,0,0) (-1/2,0,z;0,mx,0) (1/2,0,z;0,-mx,0) (1,-1/2,-z;mx,0,0) (1,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (3/2,0,-z;0,mx,0) (1/2,0,-z;0,-mx,0) 4h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,-1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (1,0,-z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;mx,0,0) (3/2,0,0;0,mx,0) (1/2,0,0;0,-mx,0) (0,-1/2,0;-mx,0,0) 4e (0,1/2,1/2;mx,0,0) (3/2,0,-1/2;0,mx,0) (1/2,0,-1/2;0,-mx,0) (0,-1/2,1/2;-mx,0,0) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 2b (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2z|1/2,1/2,0) (2y|0,1/2,0) (2x|1/2,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (mz|1/2,1/2,0) (my|0,1/2,0) (mx|1/2,0,0) (1|1/2,1/2,0)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (2z|0,0,0)' (2y|1/2,0,0)' (2x|0,1/2,0)' (-1|1/2,1/2,0)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' (mz|0,0,0)' (my|1/2,0,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x,y,-z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 16t (x,x+1/2,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x+1/2,-x+1/2,z;mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x+1/2,-x,z;-mx,-mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x+1/2,x+1/2,-z;mx,-mx,mz) (-x,-x+1/2,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x+1/2,x,-z;-mx,-mx,mz) (x,-x,z;-mx,mx,-mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) 16s (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (x+1/2,x+1/2,z;-mx,mx,0) (-x,x+1/2,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x,x,-z;mx,-mx,0) (-x+1/2,-x+1/2,-z;-mx,mx,0) (-x,-x,z;mx,-mx,0) (-x+1/2,x,-z;mx,mx,0) (x,-x+1/2,-z;-mx,-mx,0) 16r (3/4,y,z;mx,0,0) (-y+1/2,3/4,z;0,mx,0) (y,3/4,z;0,-mx,0) (y+1/2,1/4,-z;0,mx,0) (-y,1/4,-z;0,-mx,0) (3/4,-y+1/2,z;-mx,0,0) (1/4,y+1/2,-z;-mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y+1/2,z;-mx,0,0) (-y,1/4,z;0,-mx,0) (y+1/2,1/4,z;0,mx,0) (y,3/4,-z;0,-mx,0) (-y+1/2,3/4,-z;0,mx,0) (1/4,-y,z;mx,0,0) (3/4,y,-z;mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) 16q (x,y,1/2;mx,my,0) (-y+1/2,x,1/2;-my,mx,0) (y,-x+1/2,1/2;my,-mx,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,1/2;-my,mx,0) (-y,x+1/2,1/2;my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (-x+1/2,y,1/2;mx,-my,0) 16p (x,y,0;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y+1/2,x+1/2,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,y+1/2,0;-mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,-y,0;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y+1/2,-x+1/2,0;my,mx,0) (y,x,0;-my,-mx,0) (x+1/2,y+1/2,0;-mx,-my,0) (x,-y+1/2,0;-mx,my,0) (-x+1/2,y,0;mx,-my,0) 8o (x,x+1/2,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) 8n (x,x+1/2,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) 8m (x,x,1/2;mx,-mx,0) (-x+1/2,x,1/2;mx,mx,0) (x,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,mx,0) (-x,-x,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,mx,0) 8l (x,x,0;mx,-mx,0) (-x+1/2,x,0;mx,mx,0) (x,-x+1/2,0;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,mx,0) (-x,-x,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,mx,0) (-x,x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;mx,mx,0) 8k (3/4,y,1/2;mx,0,0) (-y+1/2,3/4,1/2;0,mx,0) (y,3/4,1/2;0,-mx,0) (y+1/2,1/4,1/2;0,mx,0) (-y,1/4,1/2;0,-mx,0) (3/4,-y+1/2,1/2;-mx,0,0) (1/4,y+1/2,1/2;-mx,0,0) (1/4,-y,1/2;mx,0,0) 8j (3/4,y,0;mx,0,0) (-y+1/2,3/4,0;0,mx,0) (y,3/4,0;0,-mx,0) (y+1/2,1/4,0;0,mx,0) (-y,1/4,0;0,-mx,0) (3/4,-y+1/2,0;-mx,0,0) (1/4,y+1/2,0;-mx,0,0) (1/4,-y,0;mx,0,0) 8i (1/2,0,z;mx,mx,0) (1/2,1/2,z;-mx,mx,0) (0,0,z;mx,-mx,0) (1/2,0,-z;mx,mx,0) (0,1/2,-z;-mx,-mx,0) (0,1/2,z;-mx,-mx,0) (1/2,1/2,-z;-mx,mx,0) (0,0,-z;mx,-mx,0) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (3/4,3/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 4f (1/2,0,0;mx,mx,0) (1/2,1/2,0;-mx,mx,0) (0,0,0;mx,-mx,0) (0,1/2,0;-mx,-mx,0) 4e (1/2,0,1/2;mx,mx,0) (1/2,1/2,1/2;-mx,mx,0) (0,0,1/2;mx,-mx,0) (0,1/2,1/2;-mx,-mx,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2a (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 123.17.1015 P_P4'/mmm' UNI: 127.397 P4/mbm.1'_C[rP4/mmm] BNS: 127.397 P_C4/mbm OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (-1|0,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32u (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (3/2,-x,z;0,-mx,mz) (x,-1/2,-z;mx,0,-mz) (-x,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (3/2,x,-z;0,mx,-mz) (1/2,-x,-z;0,-mx,-mz) (-x,-1/2,-z;mx,0,mz) (3/2,-x,-z;0,mx,mz) (1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x,1/2,-z;-mx,0,mz) (1/2,-x,z;0,mx,-mz) (3/2,x,z;0,-mx,-mz) 16s (x,0,z;0,my,0) (1,x,z;-my,0,0) (1,-x,z;my,0,0) (x,0,-z;0,-my,0) (-x,0,-z;0,my,0) (-x,0,z;0,-my,0) (1,x,-z;my,0,0) (1,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x+1,0,-z;0,my,0) (-x+1,0,-z;0,-my,0) (-x+1,0,z;0,my,0) (0,x,-z;-my,0,0) (0,-x,-z;my,0,0) 16r (x,x,z;mx,mx,mz) (-x+1,x,z;-mx,mx,mz) (x+1,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1,x,-z;mx,mx,-mz) (-x+1,-x,-z;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1,-x,-z;-mx,mx,mz) (-x+1,x,-z;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 16q (x,y,1/2;0,0,mz) (-y+1,x,1/2;0,0,mz) (y+1,-x,1/2;0,0,mz) (x,-y,-1/2;0,0,-mz) (-x,y,-1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y+1,x,-1/2;0,0,-mz) (-y+1,-x,-1/2;0,0,-mz) (x+1,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1,-y,-1/2;0,0,mz) (-x+1,y,-1/2;0,0,mz) (-x+1,-y,1/2;0,0,-mz) (y,x,-1/2;0,0,mz) (-y,-x,-1/2;0,0,mz) 16p (x,y,0;0,0,mz) (-y+1,x,0;0,0,mz) (y+1,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1,x,0;0,0,-mz) (-y+1,-x,0;0,0,-mz) (x+1,y,0;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8o (x,1/2,1/2;0,0,mz) (1/2,x,1/2;0,0,mz) (3/2,-x,1/2;0,0,mz) (x,-1/2,-1/2;0,0,-mz) (-x,1/2,-1/2;0,0,-mz) (-x,-1/2,1/2;0,0,mz) (3/2,x,-1/2;0,0,-mz) (1/2,-x,-1/2;0,0,-mz) 8n (x,1/2,0;0,0,mz) (1/2,x,0;0,0,mz) (3/2,-x,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (3/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) 8m (x,0,1/2;0,0,0) (1,x,-1/2;0,0,0) (1,-x,-1/2;0,0,0) (-x,0,1/2;0,0,0) (x+1,0,1/2;0,0,0) (0,x,-1/2;0,0,0) (0,-x,-1/2;0,0,0) (-x+1,0,1/2;0,0,0) 8l (x,0,0;0,0,0) (1,x,0;0,0,0) (1,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x+1,0,0;0,0,0) 8k (x,x,1/2;0,0,mz) (-x+1,x,1/2;0,0,mz) (x+1,-x,1/2;0,0,mz) (x,-x,-1/2;0,0,-mz) (-x,x,-1/2;0,0,-mz) (-x,-x,1/2;0,0,mz) (x+1,x,-1/2;0,0,-mz) (-x+1,-x,-1/2;0,0,-mz) 8j (x,x,0;0,0,mz) (-x+1,x,0;0,0,mz) (x+1,-x,0;0,0,mz) (x,-x,0;0,0,-mz) (-x,x,0;0,0,-mz) (-x,-x,0;0,0,mz) (x+1,x,0;0,0,-mz) (-x+1,-x,0;0,0,-mz) 8i (0,1/2,z;mx,0,0) (1/2,0,z;0,mx,0) (3/2,0,z;0,-mx,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (3/2,0,-z;0,mx,0) (1/2,0,-z;0,-mx,0) 4h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (3/2,1/2,z;0,0,-mz) 4g (0,0,z;0,0,0) (1,0,z;0,0,0) (0,0,-z;0,0,0) (1,0,-z;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (3/2,0,0;0,0,0) (0,-1/2,0;0,0,0) 4e (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (3/2,0,-1/2;0,0,0) (0,-1/2,1/2;0,0,0) 2d (1/2,1/2,1/2;0,0,mz) (1/2,-1/2,-1/2;0,0,-mz) 2c (1/2,1/2,0;0,0,mz) (1/2,-1/2,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (2z|0,0,0) (2y|1/2,1/2,0) (2x|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (mz|0,0,0) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2z|1/2,1/2,0)' (2y|0,0,0)' (2x|0,0,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (mz|1/2,1/2,0)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 16t (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x+1/2,-z;-mx,-mx,-mz) (-x,-x,z;-mx,-mx,mz) (-x+1/2,x+1/2,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z;mx,mx,-mz) (x+1/2,x+1/2,z;-mx,-mx,-mz) (x,x,-z;-mx,-mx,mz) (x+1/2,-x+1/2,z;-mx,mx,-mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) 16s (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,x+1/2,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,x,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x+1/2,-x,z;mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (x,-x+1/2,-z;-mx,-mx,0) 16r (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (y+1/2,1/2,-z;my,0,-mz) (-y+1/2,1/2,-z;-my,0,-mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,-z;0,my,-mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,-y,-z;0,my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (-y+1/2,1/2,z;my,0,-mz) (y+1/2,1/2,z;-my,0,-mz) (0,y,-z;0,-my,mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 16q (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (-x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) 16p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x,y,0;0,0,mz) (x,-y,0;0,0,mz) 8o (x,x,1/2;0,0,mz) (-x,x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) (-x,-x,1/2;0,0,mz) (-x+1/2,x+1/2,1/2;0,0,-mz) (x+1/2,-x+1/2,1/2;0,0,-mz) 8n (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x+1/2,x+1/2,0;0,0,-mz) (-x+1/2,-x+1/2,0;0,0,-mz) (-x,-x,0;0,0,mz) (-x+1/2,x+1/2,0;0,0,-mz) (x+1/2,-x+1/2,0;0,0,-mz) 8m (x,x+1/2,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) (x+1/2,x,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x+1/2,-x,1/2;0,0,0) 8l (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) (x+1/2,x,0;0,0,0) (-x,x+1/2,0;0,0,0) (x,-x+1/2,0;0,0,0) (-x+1/2,-x,0;0,0,0) 8k (0,y,1/2;0,0,mz) (-y,0,1/2;0,0,mz) (y,0,1/2;0,0,mz) (y+1/2,1/2,1/2;0,0,-mz) (-y+1/2,1/2,1/2;0,0,-mz) (0,-y,1/2;0,0,mz) (1/2,y+1/2,1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,-mz) 8j (0,y,0;0,0,mz) (-y,0,0;0,0,mz) (y,0,0;0,0,mz) (y+1/2,1/2,0;0,0,-mz) (-y+1/2,1/2,0;0,0,-mz) (0,-y,0;0,0,mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,0;0,0,-mz) 8i (3/4,3/4,z;mx,mx,0) (1/4,3/4,z;-mx,mx,0) (3/4,1/4,z;mx,-mx,0) (1/4,1/4,-z;mx,mx,0) (3/4,3/4,-z;-mx,-mx,0) (1/4,1/4,z;-mx,-mx,0) (3/4,1/4,-z;-mx,mx,0) (1/4,3/4,-z;mx,-mx,0) 4h (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 4g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 4f (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,0;0,0,0) 4e (3/4,3/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2d (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) 2b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) ---------- OG: 123.18.1016 P_P4'/m'mm' UNI: 125.373 P4/nbm.1'_C[rP4/mmm] BNS: 125.373 P_C4/nbm OG-BNS transformation: (-1,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|1,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' (-1|0,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32u (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16t (x,1/2,z;mx,0,mz) (1/2,x,z;0,mx,mz) (3/2,-x,z;0,-mx,mz) (x+1,-1/2,-z;mx,0,-mz) (-x+1,1/2,-z;-mx,0,-mz) (-x,-1/2,z;-mx,0,mz) (1/2,x,-z;0,mx,-mz) (-1/2,-x,-z;0,-mx,-mz) (-x+1,-1/2,-z;mx,0,mz) (1/2,-x,-z;0,mx,mz) (-1/2,x,-z;0,-mx,mz) (-x,1/2,z;mx,0,-mz) (x,-1/2,z;-mx,0,-mz) (x+1,1/2,-z;-mx,0,mz) (1/2,-x,z;0,mx,-mz) (3/2,x,z;0,-mx,-mz) 16s (x,0,z;0,my,0) (1,x,z;-my,0,0) (1,-x,z;my,0,0) (x+1,0,-z;0,-my,0) (-x+1,0,-z;0,my,0) (-x,0,z;0,-my,0) (0,x,-z;my,0,0) (0,-x,-z;-my,0,0) (x+1,0,z;0,-my,0) (0,x,z;my,0,0) (0,-x,z;-my,0,0) (x,0,-z;0,my,0) (-x,0,-z;0,-my,0) (-x+1,0,z;0,my,0) (1,x,-z;-my,0,0) (1,-x,-z;my,0,0) 16r (x,x,z;mx,mx,mz) (-x+1,x,z;-mx,mx,mz) (x+1,-x,z;mx,-mx,mz) (x+1,-x,-z;mx,-mx,-mz) (-x+1,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x+1,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x+1,x,-z;-mx,-mx,mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 16q (x,y,1/2;mx,my,0) (-y+1,x,1/2;-my,mx,0) (y+1,-x,1/2;my,-mx,0) (x+1,-y,-1/2;mx,-my,0) (-x+1,y,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,-1/2;my,mx,0) (-y,-x,-1/2;-my,-mx,0) (-x+1,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,-1/2;-mx,-my,0) (-y+1,-x,1/2;my,mx,0) (y+1,x,1/2;-my,-mx,0) 16p (x,y,0;mx,my,0) (-y+1,x,0;-my,mx,0) (y+1,-x,0;my,-mx,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y+1,-x,0;my,mx,0) (y+1,x,0;-my,-mx,0) 8o (x,1/2,1/2;mx,0,0) (1/2,x,-1/2;0,mx,0) (-1/2,-x,-1/2;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (-x+1,-1/2,-1/2;mx,0,0) (1/2,-x,1/2;0,mx,0) (3/2,x,1/2;0,-mx,0) (x+1,1/2,-1/2;-mx,0,0) 8n (x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (-1/2,-x,0;0,-mx,0) (-x,-1/2,0;-mx,0,0) (-x+1,-1/2,0;mx,0,0) (1/2,-x,0;0,mx,0) (3/2,x,0;0,-mx,0) (x+1,1/2,0;-mx,0,0) 8m (x,0,1/2;0,my,0) (1,x,1/2;-my,0,0) (1,-x,1/2;my,0,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (0,x,-1/2;my,0,0) (0,-x,-1/2;-my,0,0) 8l (x,0,0;0,my,0) (1,x,0;-my,0,0) (1,-x,0;my,0,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) 8k (x,x,1/2;mx,mx,0) (-x+1,x,-1/2;-mx,mx,0) (x+1,-x,1/2;mx,-mx,0) (-x,-x,-1/2;-mx,-mx,0) (-x+1,-x,-1/2;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,-1/2;mx,-mx,0) (x+1,x,1/2;-mx,-mx,0) 8j (x,x,0;mx,mx,0) (-x+1,x,0;-mx,mx,0) (x+1,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (-x+1,-x,0;mx,mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1,x,0;-mx,-mx,0) 8i (0,1/2,z;mx,0,0) (1/2,0,z;0,mx,0) (3/2,0,z;0,-mx,0) (1,-1/2,-z;mx,0,0) (1,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z;0,mx,0) (-1/2,0,-z;0,-mx,0) 4h (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (3/2,1/2,z;0,0,-mz) 4g (0,0,z;0,0,0) (1,0,z;0,0,0) (1,0,-z;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;mx,0,0) (1/2,0,0;0,mx,0) (-1/2,0,0;0,-mx,0) (0,-1/2,0;-mx,0,0) 4e (0,1/2,1/2;mx,0,0) (1/2,0,-1/2;0,mx,0) (-1/2,0,-1/2;0,-mx,0) (0,-1/2,1/2;-mx,0,0) 2d (1/2,1/2,1/2;0,0,0) (1/2,-1/2,-1/2;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) 2b (0,0,1/2;0,0,0) (1,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (2z|1/2,1/2,0) (2y|1/2,0,0) (2x|0,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (mz|1/2,1/2,0) (my|1/2,0,0) (mx|0,1/2,0) (1|1/2,1/2,0)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2z|0,0,0)' (2y|0,1/2,0)' (2x|1/2,0,0)' (-1|1/2,1/2,0)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (mz|0,0,0)' (my|0,1/2,0)' (mx|1/2,0,0)' Wyckoff positions (BNS): 32u (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,-z;mx,-my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,y,-z;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) 16t (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x+1/2,-x+1/2,-z;-mx,-mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (-x+1/2,x,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x,-x,z;mx,mx,-mz) (x+1/2,x+1/2,z;-mx,-mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (x+1/2,-x,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) 16s (x,x+1/2,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x+1/2,-x+1/2,z;-mx,-mx,0) (x+1/2,x,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (-x+1/2,-x,z;-mx,mx,0) (-x+1/2,x+1/2,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,x+1/2,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x,-x+1/2,z;mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 16r (3/4,y,z;0,my,mz) (-y+1/2,3/4,z;-my,0,mz) (y,3/4,z;my,0,mz) (y,3/4,-z;my,0,-mz) (-y+1/2,3/4,-z;-my,0,-mz) (3/4,-y+1/2,z;0,-my,mz) (3/4,y,-z;0,my,-mz) (3/4,-y+1/2,-z;0,-my,-mz) (1/4,-y,-z;0,my,mz) (y+1/2,1/4,-z;-my,0,mz) (-y,1/4,-z;my,0,mz) (-y,1/4,z;my,0,-mz) (y+1/2,1/4,z;-my,0,-mz) (1/4,y+1/2,-z;0,-my,mz) (1/4,-y,z;0,my,-mz) (1/4,y+1/2,z;0,-my,-mz) 16q (x,y,1/2;mx,my,0) (-y+1/2,x,1/2;-my,mx,0) (y,-x+1/2,1/2;my,-mx,0) (y,x,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,1/2;-my,mx,0) (-y,x+1/2,1/2;my,-mx,0) (-y,-x,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (-x,y+1/2,1/2;mx,-my,0) 16p (x,y,0;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y,x,0;my,mx,0) (-y+1/2,-x+1/2,0;-my,-mx,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x+1/2,y,0;-mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x,-y,0;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y,-x,0;my,mx,0) (y+1/2,x+1/2,0;-my,-mx,0) (x+1/2,y+1/2,0;-mx,-my,0) (x+1/2,-y,0;-mx,my,0) (-x,y+1/2,0;mx,-my,0) 8o (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8n (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 8m (x,x+1/2,1/2;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x,1/2;-mx,mx,0) (-x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,-mx,0) (x,-x,1/2;mx,mx,0) 8l (x,x+1/2,0;mx,-mx,0) (-x,x,0;mx,mx,0) (x+1/2,-x+1/2,0;-mx,-mx,0) (x+1/2,x,0;-mx,mx,0) (-x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x,0;-mx,mx,0) (-x+1/2,x+1/2,0;-mx,-mx,0) (x,-x,0;mx,mx,0) 8k (3/4,y,1/2;0,my,0) (-y+1/2,3/4,1/2;-my,0,0) (y,3/4,1/2;my,0,0) (3/4,-y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (y+1/2,1/4,1/2;-my,0,0) (-y,1/4,1/2;my,0,0) (1/4,y+1/2,1/2;0,-my,0) 8j (3/4,y,0;0,my,0) (-y+1/2,3/4,0;-my,0,0) (y,3/4,0;my,0,0) (3/4,-y+1/2,0;0,-my,0) (1/4,-y,0;0,my,0) (y+1/2,1/4,0;-my,0,0) (-y,1/4,0;my,0,0) (1/4,y+1/2,0;0,-my,0) 8i (1/2,1/2,z;mx,mx,0) (0,1/2,z;-mx,mx,0) (1/2,0,z;mx,-mx,0) (1/2,1/2,-z;mx,mx,0) (0,0,-z;-mx,-mx,0) (0,0,z;-mx,-mx,0) (0,1/2,-z;-mx,mx,0) (1/2,0,-z;mx,-mx,0) 4h (3/4,3/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,z;0,0,-mz) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4f (1/2,1/2,0;mx,mx,0) (0,1/2,0;-mx,mx,0) (1/2,0,0;mx,-mx,0) (0,0,0;-mx,-mx,0) 4e (1/2,1/2,1/2;mx,mx,0) (0,1/2,1/2;-mx,mx,0) (1/2,0,1/2;mx,-mx,0) (0,0,1/2;-mx,-mx,0) 2d (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) 2c (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 123.19.1017 P_I4/mm'm' UNI: 140.550 I4/mcm.1'_c[rP4/mmm] BNS: 140.550 I_c4/mcm OG-BNS transformation: (0,0,0;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1) (2y|0,0,1) (2z|0,0,0) (2xy|0,0,1) (2-xy|0,0,1) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1) (my|0,0,1) (mz|0,0,0) (mxy|0,0,1) (m-xy|0,0,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,1)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,1)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 64u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1;mx,-my,-mz) (-x,y,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1;mx,-my,-mz) (x,-y,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 32t (x,1/2,z;0,my,0) (-1/2,x,z;-my,0,0) (1/2,-x,z;my,0,0) (x,-1/2,-z+1;0,-my,0) (-x,1/2,-z+1;0,my,0) (-x,-1/2,z;0,-my,0) (1/2,x,-z+1;my,0,0) (-1/2,-x,-z+1;-my,0,0) (x,1/2,z+1;0,-my,0) (-1/2,x,z+1;my,0,0) (1/2,-x,z+1;-my,0,0) (x,-1/2,-z;0,my,0) (-x,1/2,-z;0,-my,0) (-x,-1/2,z+1;0,my,0) (1/2,x,-z;-my,0,0) (-1/2,-x,-z;my,0,0) 32s (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z+1;mx,0,-mz) (-x,0,-z+1;-mx,0,-mz) (-x,0,z;-mx,0,mz) (0,x,-z+1;0,mx,-mz) (0,-x,-z+1;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (x,0,z+1;-mx,0,-mz) (x,0,-z;-mx,0,mz) (0,-x,z+1;0,mx,-mz) (0,x,z+1;0,-mx,-mz) 32r (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z+1;mx,-mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1;mx,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,x,z+1;mx,-mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 32q (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x,y,3/2;mx,-my,0) (x,-y,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y,-x,3/2;my,mx,0) (y,x,3/2;-my,-mx,0) 32p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1;0,0,-mz) (-x,y,1;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1;0,0,-mz) (-y,-x,1;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,1;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16o (x,1/2,1/2;0,my,0) (-1/2,x,1/2;-my,0,0) (1/2,-x,1/2;my,0,0) (x,-1/2,1/2;0,-my,0) (-x,1/2,1/2;0,my,0) (-x,-1/2,1/2;0,-my,0) (1/2,x,1/2;my,0,0) (-1/2,-x,1/2;-my,0,0) 16n (x,1/2,0;0,0,0) (1/2,x,1;0,0,0) (-1/2,-x,1;0,0,0) (-x,-1/2,0;0,0,0) (x,1/2,1;0,0,0) (1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x,-1/2,1;0,0,0) 16m (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x,0,-1/2;mx,0,0) (0,-x,3/2;0,mx,0) (0,x,3/2;0,-mx,0) (x,0,-1/2;-mx,0,0) 16l (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (x,0,1;0,0,-mz) (-x,0,1;0,0,-mz) (-x,0,0;0,0,mz) (0,x,1;0,0,-mz) (0,-x,1;0,0,-mz) 16k (x,x,1/2;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,-x,-1/2;mx,mx,0) (x,-x,3/2;-mx,mx,0) (-x,x,-1/2;mx,-mx,0) (x,x,3/2;-mx,-mx,0) 16j (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x,-x,1;0,0,-mz) (-x,x,1;0,0,-mz) (-x,-x,0;0,0,mz) (x,x,1;0,0,-mz) (-x,-x,1;0,0,-mz) 16i (0,1/2,z;0,my,0) (-1/2,0,z;-my,0,0) (1/2,0,z;my,0,0) (0,-1/2,-z+1;0,-my,0) (0,1/2,-z+1;0,my,0) (0,-1/2,z;0,-my,0) (1/2,0,-z+1;my,0,0) (-1/2,0,-z+1;-my,0,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z+1;0,0,0) (-1/2,-1/2,-z+1;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 8f (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (-1/2,0,1;0,0,0) (0,-1/2,0;0,0,0) 8e (0,1/2,1/2;0,my,0) (-1/2,0,1/2;-my,0,0) (1/2,0,1/2;my,0,0) (0,-1/2,1/2;0,-my,0) 4d (1/2,1/2,1/2;0,0,0) (-1/2,1/2,1/2;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,-1/2,1;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (2y|0,0,1/2) (2x|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (mz|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2z|0,0,1/2)' (2y|0,0,0)' (2x|0,0,0)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' (mz|0,0,1/2)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 64u (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,z+1/2;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,y,-z+1/2;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 32t (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (x,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (x+1/2,x,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (x,-x+1/2,-z;-mx,-mx,0) 32s (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (-x,-x,z;-mx,-mx,mz) (-x,x,-z+1/2;-mx,mx,-mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) (x,x,-z;-mx,-mx,mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,x,z+1/2;mx,-mx,-mz) 32r (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (y,0,-z+1/2;my,0,-mz) (-y,0,-z+1/2;-my,0,-mz) (0,-y,z;0,-my,mz) (0,y,-z+1/2;0,my,-mz) (0,-y,-z+1/2;0,-my,-mz) (0,-y,-z;0,my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (-y,0,z+1/2;my,0,-mz) (y,0,z+1/2;-my,0,-mz) (0,y,-z;0,-my,mz) (0,-y,z+1/2;0,my,-mz) (0,y,z+1/2;0,-my,-mz) 32q (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (y,x,1/4;my,mx,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,1/4;-mx,-my,0) (-x,y,1/4;-mx,my,0) (x,-y,1/4;mx,-my,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-y,-x,3/4;my,mx,0) (y,x,3/4;-my,-mx,0) (x,y,3/4;-mx,-my,0) (x,-y,3/4;-mx,my,0) (-x,y,3/4;mx,-my,0) 32p (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) (-x,-y,1/2;0,0,-mz) (-x,y,0;0,0,mz) (x,-y,0;0,0,mz) 16o (x,x+1/2,1/4;mx,-mx,0) (-x+1/2,x,1/4;mx,mx,0) (x+1/2,-x,1/4;-mx,-mx,0) (x+1/2,x,1/4;-mx,mx,0) (-x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,mx,0) 16n (x,x+1/2,0;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x,-x+1/2,0;0,0,0) (x,x+1/2,1/2;0,0,0) (-x,x+1/2,0;0,0,0) (x,-x+1/2,0;0,0,0) (-x,-x+1/2,1/2;0,0,0) 16m (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 16l (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x,x,1/2;0,0,-mz) (-x,-x,1/2;0,0,-mz) (-x,-x,0;0,0,mz) (-x,x,1/2;0,0,-mz) (x,-x,1/2;0,0,-mz) 16k (0,y,1/4;0,my,0) (-y,0,1/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (y,0,3/4;-my,0,0) (-y,0,3/4;my,0,0) (0,y,3/4;0,-my,0) 16j (0,y,0;0,0,mz) (-y,0,0;0,0,mz) (y,0,0;0,0,mz) (y,0,1/2;0,0,-mz) (-y,0,1/2;0,0,-mz) (0,-y,0;0,0,mz) (0,y,1/2;0,0,-mz) (0,-y,1/2;0,0,-mz) 16i (3/4,1/4,z;mx,-mx,0) (3/4,3/4,z;mx,mx,0) (1/4,1/4,z;-mx,-mx,0) (1/4,3/4,-z+1/2;-mx,mx,0) (3/4,1/4,-z+1/2;mx,-mx,0) (1/4,3/4,z;-mx,mx,0) (1/4,1/4,-z+1/2;-mx,-mx,0) (3/4,3/4,-z+1/2;mx,mx,0) 8h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8f (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 8e (3/4,1/4,1/4;mx,-mx,0) (3/4,3/4,1/4;mx,mx,0) (1/4,1/4,1/4;-mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 124.1.1018 P4/mcc UNI: 124.351 P4/mcc.1 BNS: 124.351 P4/mcc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8m (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8l (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,mx,0) (1/2,-x,1/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) (x,1/2,3/4;-mx,0,0) 8k (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) 8j (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) 2d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.2.1019 P4/mcc1' UNI: 124.352 P4/mcc.1' BNS: 124.352 P4/mcc1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 8m (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) (y,x,1/2;0,0,0) (-y,-x,1/2;0,0,0) 8l (x,1/2,1/4;0,0,0) (1/2,x,1/4;0,0,0) (1/2,-x,1/4;0,0,0) (-x,1/2,1/4;0,0,0) (-x,1/2,3/4;0,0,0) (1/2,-x,3/4;0,0,0) (1/2,x,3/4;0,0,0) (x,1/2,3/4;0,0,0) 8k (x,0,1/4;0,0,0) (0,x,1/4;0,0,0) (0,-x,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (0,-x,3/4;0,0,0) (0,x,3/4;0,0,0) (x,0,3/4;0,0,0) 8j (x,x,1/4;0,0,0) (-x,x,1/4;0,0,0) (x,-x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (-x,-x,3/4;0,0,0) (x,-x,3/4;0,0,0) (-x,x,3/4;0,0,0) (x,x,3/4;0,0,0) 8i (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.3.1020 P4/m'cc UNI: 124.353 P4/m'cc BNS: 124.353 P4/m'cc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8m (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8l (x,1/2,1/4;0,my,mz) (1/2,x,1/4;-my,0,mz) (1/2,-x,1/4;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (1/2,-x,3/4;my,0,-mz) (1/2,x,3/4;-my,0,-mz) (x,1/2,3/4;0,my,-mz) 8k (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) (x,0,3/4;0,my,-mz) 8j (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4f (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 124.4.1021 P4'/mc'c UNI: 124.354 P4'/mc'c BNS: 124.354 P4'/mc'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8m (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8l (x,1/2,1/4;0,my,mz) (1/2,x,1/4;my,0,-mz) (1/2,-x,1/4;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (1/2,-x,3/4;my,0,-mz) (1/2,x,3/4;-my,0,-mz) (x,1/2,3/4;0,-my,mz) 8k (x,0,1/4;0,my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) (x,0,3/4;0,-my,mz) 8j (x,x,1/4;mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x,3/4;-mx,-mx,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.5.1022 P4'/mcc' UNI: 124.355 P4'/mcc' BNS: 124.355 P4'/mcc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8m (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8l (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,-mx,0) (1/2,-x,1/4;0,mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,3/4;0,-mx,0) (1/2,x,3/4;0,mx,0) (x,1/2,3/4;-mx,0,0) 8k (x,0,1/4;mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) (x,0,3/4;-mx,0,0) 8j (x,x,1/4;mx,-mx,mz) (-x,x,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (x,x,3/4;-mx,mx,mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.6.1023 P4'/m'c'c UNI: 124.356 P4'/m'c'c BNS: 124.356 P4'/m'c'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8m (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8l (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,-mx,0) (1/2,-x,1/4;0,mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) (x,1/2,3/4;mx,0,0) 8k (x,0,1/4;mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;mx,0,0) 8j (x,x,1/4;mx,-mx,mz) (-x,x,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x,x,3/4;mx,-mx,-mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.7.1024 P4/mc'c' UNI: 124.357 P4/mc'c' BNS: 124.357 P4/mc'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8m (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8l (x,1/2,1/4;0,my,mz) (1/2,x,1/4;-my,0,mz) (1/2,-x,1/4;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (1/2,-x,3/4;-my,0,mz) (1/2,x,3/4;my,0,mz) (x,1/2,3/4;0,-my,mz) 8k (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (x,0,3/4;0,-my,mz) 8j (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x,x,3/4;-mx,mx,mz) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4f (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,mz) 4e (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2c (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 124.8.1025 P4'/m'cc' UNI: 124.358 P4'/m'cc' BNS: 124.358 P4'/m'cc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8m (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8l (x,1/2,1/4;0,my,mz) (1/2,x,1/4;my,0,-mz) (1/2,-x,1/4;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (1/2,-x,3/4;-my,0,mz) (1/2,x,3/4;my,0,mz) (x,1/2,3/4;0,my,-mz) 8k (x,0,1/4;0,my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (x,0,3/4;0,my,-mz) 8j (x,x,1/4;mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;mx,mx,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,mz) 4e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.9.1026 P4/m'c'c' UNI: 124.359 P4/m'c'c' BNS: 124.359 P4/m'c'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8m (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8l (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,mx,0) (1/2,-x,1/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (1/2,-x,3/4;0,-mx,0) (1/2,x,3/4;0,mx,0) (x,1/2,3/4;mx,0,0) 8k (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) (x,0,3/4;mx,0,0) 8j (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x,3/4;mx,mx,0) 8i (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4f (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2c (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 124.10.1027 P_P4/mcc UNI: 124.361 P4/mcc.1'_C[rP4/mcc] BNS: 124.361 P_C4/mcc OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' (-1|1,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 16m (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1,y,0;0,0,-mz) (-y+1,x,0;0,0,-mz) (y+1,-x,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) (y+1,x,1/2;0,0,mz) (-y+1,-x,1/2;0,0,mz) 16l (x,1/2,1/4;0,my,mz) (-1/2,x,1/4;-my,0,mz) (1/2,-x,1/4;my,0,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (1/2,x,1/4;my,0,-mz) (-1/2,-x,1/4;-my,0,-mz) (-x,-1/2,-1/4;0,my,mz) (1/2,-x,-1/4;-my,0,mz) (-1/2,x,-1/4;my,0,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) (-1/2,-x,3/4;my,0,-mz) (1/2,x,3/4;-my,0,-mz) 16k (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (1,x,1/4;0,-mx,0) (1,-x,1/4;0,mx,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (1,-x,3/4;0,-mx,0) (1,x,3/4;0,mx,0) (x+1,0,-1/4;mx,0,0) 16j (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,-1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,-1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x+1,x,1/4;mx,-mx,0) (x+1,-x,1/4;-mx,mx,0) (-x+1,-x,1/4;mx,mx,0) (-x+1,-x,-1/4;-mx,-mx,0) (x+1,-x,3/4;mx,-mx,0) (-x+1,x,-1/4;-mx,mx,0) (x+1,x,3/4;mx,mx,0) 16i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z+1/2;my,mx,0) (-1/2,0,-z+1/2;-my,-mx,0) (0,-1/2,-z;mx,my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) (-1/2,0,z+1/2;my,mx,0) (1/2,0,z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (-1/2,1/2,-z+1/2;0,0,0) (-1/2,-1/2,-z+1/2;0,0,0) (-1/2,-1/2,-z;0,0,0) (1/2,-1/2,-z;0,0,0) (1/2,-1/2,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (1,0,-z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8f (0,1/2,1/4;0,my,0) (-1/2,0,1/4;-my,0,0) (1/2,0,1/4;my,0,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (1/2,0,3/4;-my,0,0) (-1/2,0,3/4;my,0,0) (0,1/2,-1/4;0,-my,0) 8e (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,1/2;0,0,0) 4d (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,1/4;0,0,0) (-1/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) (1/2,-1/2,3/4;0,0,0) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,mz) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (2y|0,0,1/2) (2x|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (mz|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (mz|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 16m (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) 16l (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (-x+1/2,-x,3/4;-mx,mx,-mz) (x+1/2,x,3/4;mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (-x,x+1/2,3/4;mx,mx,-mz) 16k (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 16j (0,y,1/4;0,my,0) (-y,0,1/4;-my,0,0) (y,0,1/4;my,0,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (y,0,3/4;-my,0,0) (-y,0,3/4;my,0,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (-y+1/2,1/2,1/4;my,0,0) (y+1/2,1/2,1/4;-my,0,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (y+1/2,1/2,3/4;my,0,0) (-y+1/2,1/2,3/4;-my,0,0) (1/2,y+1/2,3/4;0,my,0) 16i (3/4,1/4,z;mx,my,0) (3/4,3/4,z;-my,mx,0) (1/4,1/4,z;my,-mx,0) (1/4,3/4,-z+1/2;my,mx,0) (3/4,1/4,-z+1/2;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (3/4,3/4,-z+1/2;mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,1/4,-z;-my,mx,0) (3/4,3/4,-z;my,-mx,0) (3/4,1/4,z+1/2;my,mx,0) (1/4,3/4,z+1/2;-my,-mx,0) (3/4,1/4,-z;-mx,-my,0) (3/4,3/4,z+1/2;-mx,my,0) (1/4,1/4,z+1/2;mx,-my,0) 8h (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 8g (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8f (3/4,1/4,1/4;mx,-mx,0) (3/4,3/4,1/4;mx,mx,0) (1/4,1/4,1/4;-mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) (1/4,3/4,3/4;mx,-mx,0) (1/4,1/4,3/4;mx,mx,0) (3/4,3/4,3/4;-mx,-mx,0) (3/4,1/4,3/4;-mx,mx,0) 8e (3/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) ---------- OG: 124.11.1028 P_P4/m'cc UNI: 130.433 P4/ncc.1'_C[rP4/mcc] BNS: 130.433 P_C4/ncc OG-BNS transformation: (-1/2,1,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (-1|1,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,0)' (4z-1|1,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z;my,-mx,-mz) (y+1,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 16m (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1,x,1/2;my,mx,0) (-y+1,-x,1/2;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y+1,-x,0;-my,mx,0) (-y+1,x,0;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16l (x,1/2,1/4;mx,0,0) (3/2,x,1/4;0,mx,0) (1/2,-x,1/4;0,-mx,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (-1/2,-x,3/4;0,mx,0) (1/2,x,3/4;0,-mx,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (1/2,x,1/4;0,-mx,0) (-1/2,-x,1/4;0,mx,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (1/2,-x,3/4;0,-mx,0) (3/2,x,3/4;0,mx,0) (x,1/2,-1/4;mx,0,0) 16k (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1,x,1/4;my,0,-mz) (1,-x,1/4;-my,0,-mz) (-x+1,0,-1/4;0,my,mz) (1,-x,-1/4;-my,0,mz) (1,x,-1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) 16j (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x+1,-x,1/4;mx,mx,-mz) (-x+1,x,1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) (-x+1,-x,-1/4;mx,-mx,mz) (x+1,-x,-1/4;mx,mx,mz) (-x+1,x,-1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (x+1,x,-1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 16i (0,1/2,z;mx,my,0) (-1/2,0,z;-my,mx,0) (1/2,0,z;my,-mx,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z+1/2;my,mx,0) (1/2,0,-z+1/2;-my,-mx,0) (1,-1/2,-z;mx,my,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) (-1/2,0,z+1/2;my,mx,0) (1/2,0,z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,-1/2,-z+1/2;0,0,0) (1/2,-1/2,-z;0,0,0) (3/2,-1/2,-z;0,0,0) (1/2,-1/2,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) 8g (0,0,z;0,0,mz) (1,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1,0,z+1/2;0,0,mz) 8f (0,1/2,1/4;mx,0,0) (3/2,0,1/4;0,mx,0) (1/2,0,1/4;0,-mx,0) (0,-1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (-1/2,0,3/4;0,mx,0) (1/2,0,3/4;0,-mx,0) (1,1/2,-1/4;-mx,0,0) 8e (0,1/2,0;mx,my,0) (-1/2,0,0;-my,mx,0) (1/2,0,0;my,-mx,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) (3/2,0,1/2;my,mx,0) (1/2,0,1/2;-my,-mx,0) 4d (1/2,1/2,0;0,0,0) (-1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,-1/2,1/2;0,0,0) 4c (1/2,1/2,1/4;0,0,0) (1/2,-1/2,1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4b (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,1/4;0,0,mz) (1,0,1/4;0,0,-mz) (1,0,-1/4;0,0,mz) (0,0,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (2z|1/2,1/2,0) (2y|0,1/2,1/2) (2x|1/2,0,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (mz|1/2,1/2,0) (my|0,1/2,1/2) (mx|1/2,0,1/2) (1|1/2,1/2,0)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2z|0,0,0)' (2y|1/2,0,1/2)' (2x|0,1/2,1/2)' (-1|1/2,1/2,0)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (mz|0,0,0)' (my|1/2,0,1/2)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x,y,-z;mx,my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) 16m (x,y,0;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1/2,-y+1/2,0;-mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,-y,0;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) (x+1/2,y+1/2,0;-mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (-x+1/2,y,1/2;mx,-my,0) 16l (x,x+1/2,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x+1/2,1/4;mx,mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x+1/2,3/4;mx,mx,0) 16k (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,-mz) (-x,-x,1/4;mx,-mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (-x+1/2,-x+1/2,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (-x+1/2,x,3/4;mx,mx,-mz) 16j (3/4,y,1/4;mx,0,mz) (-y+1/2,3/4,1/4;0,mx,mz) (y,3/4,1/4;0,-mx,mz) (y+1/2,1/4,1/4;0,mx,-mz) (-y,1/4,1/4;0,-mx,-mz) (3/4,-y+1/2,1/4;-mx,0,mz) (1/4,y+1/2,1/4;-mx,0,-mz) (1/4,-y,1/4;mx,0,-mz) (1/4,-y,3/4;mx,0,mz) (y+1/2,1/4,3/4;0,mx,mz) (-y,1/4,3/4;0,-mx,mz) (-y+1/2,3/4,3/4;0,mx,-mz) (y,3/4,3/4;0,-mx,-mz) (1/4,y+1/2,3/4;-mx,0,mz) (3/4,-y+1/2,3/4;-mx,0,-mz) (3/4,y,3/4;mx,0,-mz) 16i (1/2,0,z;mx,my,0) (1/2,1/2,z;-my,mx,0) (0,0,z;my,-mx,0) (1/2,0,-z+1/2;my,mx,0) (0,1/2,-z+1/2;-my,-mx,0) (0,1/2,z;-mx,-my,0) (1/2,1/2,-z+1/2;-mx,my,0) (0,0,-z+1/2;mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z;-my,mx,0) (0,0,-z;my,-mx,0) (1/2,0,z+1/2;my,mx,0) (0,1/2,z+1/2;-my,-mx,0) (0,1/2,-z;-mx,-my,0) (1/2,1/2,z+1/2;-mx,my,0) (0,0,z+1/2;mx,-my,0) 8h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,z+1/2;0,0,0) 8g (3/4,3/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 8f (1/2,0,1/4;mx,mx,0) (1/2,1/2,1/4;-mx,mx,0) (0,0,1/4;mx,-mx,0) (0,1/2,1/4;-mx,-mx,0) (1/2,0,3/4;mx,mx,0) (1/2,1/2,3/4;-mx,mx,0) (0,0,3/4;mx,-mx,0) (0,1/2,3/4;-mx,-mx,0) 8e (1/2,0,0;mx,my,0) (1/2,1/2,0;-my,mx,0) (0,0,0;my,-mx,0) (1/2,0,1/2;my,mx,0) (0,1/2,1/2;-my,-mx,0) (0,1/2,0;-mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (0,0,1/2;mx,-my,0) 4d (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4c (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4b (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4a (3/4,3/4,1/4;0,0,mz) (1/4,1/4,1/4;0,0,-mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) ---------- OG: 124.12.1029 P_P4'/mcc' UNI: 128.409 P4/mnc.1'_C[rP4/mcc] BNS: 128.409 P_C4/mnc OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (-1|0,0,0) (-4z|1,0,0) (-4z-1|1,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|1,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32n (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1,-x,-z;-my,mx,mz) (-y+1,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16m (x,y,0;0,0,mz) (-y+1,x,0;0,0,mz) (y+1,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1,x,1/2;0,0,-mz) (-y+1,-x,1/2;0,0,-mz) (x+1,y,0;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16l (x,1/2,1/4;0,my,mz) (1/2,x,1/4;-my,0,mz) (3/2,-x,1/4;my,0,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (3/2,x,1/4;my,0,-mz) (1/2,-x,1/4;-my,0,-mz) (-x,-1/2,-1/4;0,my,mz) (3/2,-x,-1/4;-my,0,mz) (1/2,x,-1/4;my,0,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) (1/2,-x,3/4;my,0,-mz) (3/2,x,3/4;-my,0,-mz) 16k (x,0,1/4;mx,0,0) (1,x,1/4;0,mx,0) (1,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (1,-x,3/4;0,mx,0) (1,x,3/4;0,-mx,0) (x,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) (x+1,0,-1/4;mx,0,0) 16j (x,x,1/4;mx,-mx,mz) (-x+1,x,1/4;mx,mx,mz) (x+1,-x,1/4;-mx,-mx,mz) (x,-x,1/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) (-x,-x,-1/4;mx,-mx,mz) (x+1,-x,-1/4;mx,mx,mz) (-x+1,x,-1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (x,x,-1/4;-mx,mx,mz) (-x+1,-x,3/4;-mx,mx,-mz) (x+1,x,3/4;mx,-mx,-mz) 16i (0,1/2,z;mx,my,0) (1/2,0,z;-my,mx,0) (3/2,0,z;my,-mx,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z+1/2;my,mx,0) (1/2,0,-z+1/2;-my,-mx,0) (0,-1/2,-z;mx,my,0) (3/2,0,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z+1/2;my,mx,0) (3/2,0,z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (3/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (-1/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8g (0,0,z;0,0,0) (1,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (1,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,z+1/2;0,0,0) 8f (0,1/2,1/4;0,my,0) (1/2,0,1/4;-my,0,0) (3/2,0,1/4;my,0,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (3/2,0,3/4;-my,0,0) (1/2,0,3/4;my,0,0) (0,1/2,-1/4;0,-my,0) 8e (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (3/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (3/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4d (1/2,1/2,0;0,0,mz) (1/2,-1/2,1/2;0,0,-mz) (3/2,1/2,0;0,0,-mz) (-1/2,-1/2,1/2;0,0,mz) 4c (1/2,1/2,1/4;0,0,mz) (1/2,-1/2,1/4;0,0,-mz) (-1/2,-1/2,-1/4;0,0,mz) (3/2,1/2,3/4;0,0,-mz) 4b (0,0,0;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) 4a (0,0,1/4;0,0,0) (1,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2z|0,0,0) (2y|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (mz|0,0,0) (my|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|1/2,1/2,0)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (mz|1/2,1/2,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 16m (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) 16l (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,-mz) (x+1/2,-x+1/2,1/4;mx,mx,-mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (-x+1/2,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) (x,x,3/4;-mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,-mz) (-x+1/2,x+1/2,3/4;mx,mx,-mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,1/4;mx,mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x+1/2,x,3/4;mx,mx,0) 16j (0,y,1/4;mx,0,mz) (-y,0,1/4;0,mx,mz) (y,0,1/4;0,-mx,mz) (y+1/2,1/2,1/4;0,mx,-mz) (-y+1/2,1/2,1/4;0,-mx,-mz) (0,-y,1/4;-mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (y,0,3/4;0,mx,mz) (-y,0,3/4;0,-mx,mz) (-y+1/2,1/2,3/4;0,mx,-mz) (y+1/2,1/2,3/4;0,-mx,-mz) (0,y,3/4;-mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y+1/2,3/4;mx,0,-mz) 16i (3/4,3/4,z;mx,my,0) (1/4,3/4,z;-my,mx,0) (3/4,1/4,z;my,-mx,0) (1/4,1/4,-z+1/2;my,mx,0) (3/4,3/4,-z+1/2;-my,-mx,0) (1/4,1/4,z;-mx,-my,0) (3/4,1/4,-z+1/2;-mx,my,0) (1/4,3/4,-z+1/2;mx,-my,0) (1/4,1/4,-z;mx,my,0) (3/4,1/4,-z;-my,mx,0) (1/4,3/4,-z;my,-mx,0) (3/4,3/4,z+1/2;my,mx,0) (1/4,1/4,z+1/2;-my,-mx,0) (3/4,3/4,-z;-mx,-my,0) (1/4,3/4,z+1/2;-mx,my,0) (3/4,1/4,z+1/2;mx,-my,0) 8h (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) 8f (3/4,3/4,1/4;mx,-mx,0) (1/4,3/4,1/4;mx,mx,0) (3/4,1/4,1/4;-mx,-mx,0) (1/4,1/4,1/4;-mx,mx,0) (1/4,1/4,3/4;mx,-mx,0) (3/4,1/4,3/4;mx,mx,0) (1/4,3/4,3/4;-mx,-mx,0) (3/4,3/4,3/4;-mx,mx,0) 8e (3/4,3/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4d (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,mz) 4c (0,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 4b (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4a (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) ---------- OG: 124.13.1030 P_P4'/m'cc' UNI: 126.385 P4/nnc.1'_C[rP4/mcc] BNS: 126.385 P_C4/nnc OG-BNS transformation: (-1,1/2,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,0) (4z-1|1,0,0) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|1,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' (-1|0,0,0)' (-4z|1,0,0)' (-4z-1|1,0,0)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32n (x,y,z;mx,my,mz) (-y+1,x,z;-my,mx,mz) (y+1,-x,z;my,-mx,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1,-x,-z;my,-mx,-mz) (-y+1,x,-z;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16m (x,y,0;mx,my,0) (-y+1,x,0;-my,mx,0) (y+1,-x,0;my,-mx,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y+1,-x,1/2;my,mx,0) (y+1,x,1/2;-my,-mx,0) 16l (x,1/2,1/4;mx,0,0) (1/2,x,1/4;0,mx,0) (-1/2,-x,1/4;0,-mx,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (1/2,-x,3/4;0,mx,0) (3/2,x,3/4;0,-mx,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (3/2,x,1/4;0,-mx,0) (1/2,-x,1/4;0,mx,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (-1/2,-x,3/4;0,-mx,0) (1/2,x,3/4;0,mx,0) (x,1/2,-1/4;mx,0,0) 16k (x,0,1/4;0,my,mz) (1,x,1/4;-my,0,mz) (1,-x,1/4;my,0,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x+1,0,-1/4;0,my,mz) (0,-x,-1/4;-my,0,mz) (0,x,-1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) (1,-x,3/4;my,0,-mz) (1,x,3/4;-my,0,-mz) 16j (x,x,1/4;mx,mx,0) (-x+1,x,1/4;-mx,mx,0) (x+1,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x+1,-x,-1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,-1/4;mx,-mx,0) (x+1,x,3/4;-mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x+1,-x,1/4;mx,mx,0) (-x,-x,-1/4;-mx,-mx,0) (x+1,-x,3/4;mx,-mx,0) (-x+1,x,-1/4;-mx,mx,0) (x,x,3/4;mx,mx,0) 16i (0,1/2,z;mx,my,0) (1/2,0,z;-my,mx,0) (3/2,0,z;my,-mx,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z+1/2;my,mx,0) (-1/2,0,-z+1/2;-my,-mx,0) (1,-1/2,-z;mx,my,0) (1/2,0,-z;-my,mx,0) (-1/2,0,-z;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) (1/2,0,z+1/2;my,mx,0) (3/2,0,z+1/2;-my,-mx,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (3/2,1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 8g (0,0,z;0,0,0) (1,0,z;0,0,0) (1,0,-z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (1,0,-z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,z+1/2;0,0,0) 8f (0,1/2,1/4;mx,0,0) (1/2,0,1/4;0,mx,0) (-1/2,0,1/4;0,-mx,0) (0,-1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (1/2,0,3/4;0,mx,0) (3/2,0,3/4;0,-mx,0) (1,1/2,-1/4;-mx,0,0) 8e (0,1/2,0;mx,my,0) (1/2,0,0;-my,mx,0) (3/2,0,0;my,-mx,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) (1/2,0,1/2;my,mx,0) (-1/2,0,1/2;-my,-mx,0) 4d (1/2,1/2,0;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) 4c (1/2,1/2,1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) 4b (0,0,0;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) (0,0,1/2;0,0,0) 4a (0,0,1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) (0,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2z|1/2,1/2,0) (2y|1/2,0,1/2) (2x|0,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (mz|1/2,1/2,0) (my|1/2,0,1/2) (mx|0,1/2,1/2) (1|1/2,1/2,0)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (2z|0,0,0)' (2y|0,1/2,1/2)' (2x|1/2,0,1/2)' (-1|1/2,1/2,0)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' (mz|0,0,0)' (my|0,1/2,1/2)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,y,-z;mx,my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 16m (x,y,1/2;mx,my,0) (-y+1/2,x,1/2;-my,mx,0) (y,-x+1/2,1/2;my,-mx,0) (y,x,0;my,mx,0) (-y+1/2,-x+1/2,0;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x+1/2,y,0;-mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,1/2;-my,mx,0) (-y,x+1/2,1/2;my,-mx,0) (-y,-x,0;my,mx,0) (y+1/2,x+1/2,0;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x+1/2,-y,0;-mx,my,0) (-x,y+1/2,0;mx,-my,0) 16l (x,x,3/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,-x,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,x,1/4;mx,mx,0) 16k (x,x+1/2,3/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,-mz) (-x+1/2,-x,3/4;-mx,mx,mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (x,-x,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;mx,-mx,mz) (x,-x,1/4;mx,mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x,x+1/2,1/4;mx,-mx,-mz) (x+1/2,x,1/4;-mx,mx,mz) (x+1/2,-x+1/2,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,-mz) 16j (3/4,y,3/4;0,my,0) (-y+1/2,3/4,3/4;-my,0,0) (y,3/4,3/4;my,0,0) (3/4,-y+1/2,3/4;0,-my,0) (1/4,-y,1/4;0,my,0) (y+1/2,1/4,1/4;-my,0,0) (-y,1/4,1/4;my,0,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (-y,1/4,3/4;my,0,0) (y+1/2,1/4,3/4;-my,0,0) (1/4,-y,3/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (y,3/4,1/4;my,0,0) (-y+1/2,3/4,1/4;-my,0,0) (3/4,y,1/4;0,my,0) 16i (1/2,1/2,z;mx,my,0) (0,1/2,z;-my,mx,0) (1/2,0,z;my,-mx,0) (1/2,1/2,-z+1/2;my,mx,0) (0,0,-z+1/2;-my,-mx,0) (0,0,z;-mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (1/2,0,-z+1/2;mx,-my,0) (1/2,1/2,-z;mx,my,0) (0,1/2,-z;-my,mx,0) (1/2,0,-z;my,-mx,0) (1/2,1/2,z+1/2;my,mx,0) (0,0,z+1/2;-my,-mx,0) (0,0,-z;-mx,-my,0) (0,1/2,z+1/2;-mx,my,0) (1/2,0,z+1/2;mx,-my,0) 8h (3/4,3/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8g (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) 8f (1/2,1/2,3/4;mx,mx,0) (0,1/2,3/4;-mx,mx,0) (1/2,0,3/4;mx,-mx,0) (0,0,3/4;-mx,-mx,0) (1/2,1/2,1/4;mx,mx,0) (0,1/2,1/4;-mx,mx,0) (1/2,0,1/4;mx,-mx,0) (0,0,1/4;-mx,-mx,0) 8e (1/2,1/2,1/2;mx,my,0) (0,1/2,1/2;-my,mx,0) (1/2,0,1/2;my,-mx,0) (1/2,1/2,0;my,mx,0) (0,0,0;-my,-mx,0) (0,0,1/2;-mx,-my,0) (0,1/2,0;-mx,my,0) (1/2,0,0;mx,-my,0) 4d (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) 4a (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) ---------- OG: 125.1.1031 P4/nbm UNI: 125.363 P4/nbm.1 BNS: 125.363 P4/nbm Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,-x+1/2,z;mx,-mx,0) (x,x+1/2,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 8l (x,1/4,1/2;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,3/4,1/2;-mx,0,0) 8k (x,1/4,0;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,3/4,0;-mx,0,0) 8j (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8i (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) 4f (0,0,1/2;mx,mx,0) (1/2,0,1/2;-mx,mx,0) (0,1/2,1/2;mx,-mx,0) (1/2,1/2,1/2;-mx,-mx,0) 4e (0,0,0;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,0;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.2.1032 P4/nbm1' UNI: 125.364 P4/nbm.1' BNS: 125.364 P4/nbm1' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (x,-y+1/2,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y,x,-z;0,0,0) (-y+1/2,-x+1/2,-z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (-x,y+1/2,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y,-x,z;0,0,0) (y+1/2,x+1/2,z;0,0,0) 8m (x,-x,z;0,0,0) (x+1/2,x,z;0,0,0) (-x,-x+1/2,z;0,0,0) (x,x+1/2,-z;0,0,0) (-x+1/2,-x,-z;0,0,0) (-x+1/2,x+1/2,z;0,0,0) (-x,x,-z;0,0,0) (x+1/2,-x+1/2,-z;0,0,0) 8l (x,1/4,1/2;0,0,0) (1/4,x,1/2;0,0,0) (1/4,-x+1/2,1/2;0,0,0) (-x+1/2,1/4,1/2;0,0,0) (-x,3/4,1/2;0,0,0) (3/4,-x,1/2;0,0,0) (3/4,x+1/2,1/2;0,0,0) (x+1/2,3/4,1/2;0,0,0) 8k (x,1/4,0;0,0,0) (1/4,x,0;0,0,0) (1/4,-x+1/2,0;0,0,0) (-x+1/2,1/4,0;0,0,0) (-x,3/4,0;0,0,0) (3/4,-x,0;0,0,0) (3/4,x+1/2,0;0,0,0) (x+1/2,3/4,0;0,0,0) 8j (x,x,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) 8i (x,x,0;0,0,0) (-x+1/2,x,0;0,0,0) (x,-x+1/2,0;0,0,0) (-x+1/2,-x+1/2,0;0,0,0) (-x,-x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,x+1/2,0;0,0,0) (x+1/2,x+1/2,0;0,0,0) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.3.1033 P4/n'bm UNI: 125.365 P4/n'bm BNS: 125.365 P4/n'bm Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,-x+1/2,z;mx,-mx,0) (x,x+1/2,-z;-mx,mx,0) (-x+1/2,-x,-z;mx,-mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) 8l (x,1/4,1/2;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (3/4,-x,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) (x+1/2,3/4,1/2;0,my,-mz) 8k (x,1/4,0;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (3/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) (x+1/2,3/4,0;0,my,-mz) 8j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 8i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,-mz) 4f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,-mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,-mz) ---------- OG: 125.4.1034 P4'/nb'm UNI: 125.366 P4'/nb'm BNS: 125.366 P4'/nb'm Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x+1/2,-x,-z;mx,-mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 8l (x,1/4,1/2;0,my,mz) (1/4,x,1/2;my,0,-mz) (1/4,-x+1/2,1/2;-my,0,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (3/4,-x,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8k (x,1/4,0;0,my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (3/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) (x+1/2,3/4,0;0,-my,mz) 8j (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8i (x,x,0;mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4f (0,0,1/2;mx,mx,0) (1/2,0,1/2;mx,-mx,0) (0,1/2,1/2;-mx,mx,0) (1/2,1/2,1/2;-mx,-mx,0) 4e (0,0,0;mx,mx,0) (1/2,0,0;mx,-mx,0) (0,1/2,0;-mx,mx,0) (1/2,1/2,0;-mx,-mx,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.5.1035 P4'/nbm' UNI: 125.367 P4'/nbm' BNS: 125.367 P4'/nbm' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;-mx,-mx,-mz) (-x,-x+1/2,z;mx,mx,-mz) (x,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) 8l (x,1/4,1/2;mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,3/4,1/2;-mx,0,0) 8k (x,1/4,0;mx,0,0) (1/4,x,0;0,-mx,0) (1/4,-x+1/2,0;0,mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,0;0,-mx,0) (3/4,x+1/2,0;0,mx,0) (x+1/2,3/4,0;-mx,0,0) 8j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) 8i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) 4h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) 4g (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4f (0,0,1/2;mx,-mx,mz) (1/2,0,1/2;-mx,-mx,-mz) (0,1/2,1/2;mx,mx,-mz) (1/2,1/2,1/2;-mx,mx,mz) 4e (0,0,0;mx,-mx,mz) (1/2,0,0;-mx,-mx,-mz) (0,1/2,0;mx,mx,-mz) (1/2,1/2,0;-mx,mx,mz) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.6.1036 P4'/n'b'm UNI: 125.368 P4'/n'b'm BNS: 125.368 P4'/n'b'm Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) 8l (x,1/4,1/2;mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,3/4,1/2;mx,0,0) 8k (x,1/4,0;mx,0,0) (1/4,x,0;0,-mx,0) (1/4,-x+1/2,0;0,mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,3/4,0;mx,0,0) 8j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 8i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 4h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) 4g (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.7.1037 P4/nb'm' UNI: 125.369 P4/nb'm' BNS: 125.369 P4/nb'm' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x,-z;mx,mx,mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) 8l (x,1/4,1/2;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (x+1/2,3/4,1/2;0,-my,mz) 8k (x,1/4,0;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (3/4,-x,0;-my,0,mz) (3/4,x+1/2,0;my,0,mz) (x+1/2,3/4,0;0,-my,mz) 8j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) 8i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (x+1/2,x+1/2,0;-mx,mx,mz) 4h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) 4g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,mz) 4f (0,0,1/2;mx,-mx,mz) (1/2,0,1/2;mx,mx,mz) (0,1/2,1/2;-mx,-mx,mz) (1/2,1/2,1/2;-mx,mx,mz) 4e (0,0,0;mx,-mx,mz) (1/2,0,0;mx,mx,mz) (0,1/2,0;-mx,-mx,mz) (1/2,1/2,0;-mx,mx,mz) 2d (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 2c (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) 2b (1/4,1/4,1/2;0,0,mz) (3/4,3/4,1/2;0,0,mz) 2a (1/4,1/4,0;0,0,mz) (3/4,3/4,0;0,0,mz) ---------- OG: 125.8.1038 P4'/n'bm' UNI: 125.370 P4'/n'bm' BNS: 125.370 P4'/n'bm' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;-mx,-mx,-mz) (-x,-x+1/2,z;mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x,-z;mx,mx,mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) 8l (x,1/4,1/2;0,my,mz) (1/4,x,1/2;my,0,-mz) (1/4,-x+1/2,1/2;-my,0,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (x+1/2,3/4,1/2;0,my,-mz) 8k (x,1/4,0;0,my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (3/4,-x,0;-my,0,mz) (3/4,x+1/2,0;my,0,mz) (x+1/2,3/4,0;0,my,-mz) 8j (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 8i (x,x,0;mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;mx,mx,0) 4h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) 4g (1/4,1/4,z;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z;0,0,0) 4f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 2c (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.9.1039 P4/n'b'm' UNI: 125.371 P4/n'b'm' BNS: 125.371 P4/n'b'm' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) 8l (x,1/4,1/2;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,3/4,1/2;mx,0,0) 8k (x,1/4,0;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (3/4,-x,0;0,-mx,0) (3/4,x+1/2,0;0,mx,0) (x+1/2,3/4,0;mx,0,0) 8j (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 8i (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,0;mx,mx,0) 4h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) 4g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z;0,0,mz) 4f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 2b (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 2a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) ---------- OG: 125.10.1040 P_2c4/nbm UNI: 125.372 P4/nbm.1'_c[P4/nbm] BNS: 125.372 P_c4/nbm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|1/2,0,1)' (4z-1|0,1/2,1)' (2x|0,1/2,1)' (2y|1/2,0,1)' (2z|1/2,1/2,1)' (2xy|0,0,1)' (2-xy|1/2,1/2,1)' (-1|0,0,1)' (-4z|1/2,0,1)' (-4z-1|0,1/2,1)' (mx|0,1/2,1)' (my|1/2,0,1)' (mz|1/2,1/2,1)' (mxy|0,0,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1;my,-mx,-mz) (y,-x+1/2,z+1;-my,mx,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z+1;my,-mx,-mz) (-y,x+1/2,-z+1;-my,mx,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16m (x,-x,z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,-x+1/2,z;mx,-mx,0) (x,x+1/2,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (x,-x,z+1;-mx,-mx,0) (x+1/2,x,z+1;mx,-mx,0) (-x,-x+1/2,z+1;-mx,mx,0) (x,x+1/2,-z+1;-mx,mx,0) (-x+1/2,-x,-z+1;mx,-mx,0) (-x+1/2,x+1/2,z+1;mx,mx,0) (-x,x,-z+1;-mx,-mx,0) (x+1/2,-x+1/2,-z+1;mx,mx,0) 16l (x,1/4,1/2;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,-1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (1/4,x,-1/2;my,0,-mz) (1/4,-x+1/2,-1/2;-my,0,-mz) (-x,-1/4,-1/2;0,my,mz) (3/4,-x,-1/2;-my,0,mz) (-1/4,x+1/2,-1/2;my,0,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,-1/4,1/2;0,my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) (-1/4,-x,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) 16k (x,1/4,0;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,-1/4,0;mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,-1/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (1/4,x,1;0,-mx,0) (1/4,-x+1/2,1;0,mx,0) (-x+1/2,1/4,1;mx,0,0) (-x,-1/4,1;-mx,0,0) (3/4,-x,1;0,-mx,0) (3/4,x+1/2,1;0,mx,0) (x+1/2,-1/4,1;mx,0,0) 16j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x,-x+1/2,-1/2;mx,mx,-mz) (-x+1/2,x,-1/2;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,-1/2;mx,-mx,-mz) (-x,-x,-1/2;mx,-mx,mz) (x+1/2,-x,-1/2;mx,mx,mz) (-x,x+1/2,-1/2;-mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (x+1/2,x+1/2,-1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 16i (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x+1/2,x,1;mx,-mx,0) (x,-x+1/2,1;-mx,mx,0) (-x+1/2,-x+1/2,1;mx,mx,0) (-x,-x,1;-mx,-mx,0) (x+1/2,-x,1;mx,-mx,0) (-x,x+1/2,1;-mx,mx,0) (x+1/2,x+1/2,1;mx,mx,0) 8h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,-1/4,-z;0,0,0) (3/4,1/4,z+1;0,0,0) (1/4,3/4,z+1;0,0,0) (3/4,1/4,-z+1;0,0,0) (1/4,-1/4,-z+1;0,0,0) 8g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z+1;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z+1;0,0,mz) 8f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,0;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) (0,0,1;-mx,-mx,0) (1/2,0,1;mx,-mx,0) (0,1/2,1;-mx,mx,0) (1/2,1/2,1;mx,mx,0) 4d (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,-1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) 4c (3/4,1/4,0;0,0,0) (1/4,-1/4,0;0,0,0) (3/4,1/4,1;0,0,0) (1/4,-1/4,1;0,0,0) 4b (1/4,1/4,1/2;0,0,mz) (1/4,1/4,-1/2;0,0,-mz) (-1/4,-1/4,-1/2;0,0,mz) (-1/4,3/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,0) (-1/4,-1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (-1/4,-1/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,1/2)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,1/2)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16m (x,-x,z;mx,mx,0) (x+1/2,x,z;-mx,mx,0) (-x,-x+1/2,z;mx,-mx,0) (x,x+1/2,-z;mx,-mx,0) (-x+1/2,-x,-z;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (x,-x,z+1/2;-mx,-mx,0) (x+1/2,x,z+1/2;mx,-mx,0) (-x,-x+1/2,z+1/2;-mx,mx,0) (x,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) 16l (x,1/4,1/4;0,my,mz) (1/4,x,1/4;-my,0,mz) (1/4,-x+1/2,1/4;my,0,mz) (x,1/4,3/4;0,-my,-mz) (-x+1/2,1/4,3/4;0,my,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (1/4,x,3/4;my,0,-mz) (1/4,-x+1/2,3/4;-my,0,-mz) (-x,3/4,3/4;0,my,mz) (3/4,-x,3/4;-my,0,mz) (3/4,x+1/2,3/4;my,0,mz) (-x,3/4,1/4;0,-my,-mz) (x+1/2,3/4,1/4;0,my,-mz) (x+1/2,3/4,3/4;0,-my,mz) (3/4,-x,1/4;my,0,-mz) (3/4,x+1/2,1/4;-my,0,-mz) 16k (x,1/4,0;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,3/4,0;-mx,0,0) (x,1/4,1/2;-mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,1/2;mx,0,0) (-x,3/4,1/2;-mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,3/4,1/2;mx,0,0) 16j (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (x,x,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) (-x,-x,1/4;-mx,mx,-mz) (x+1/2,x+1/2,1/4;mx,-mx,-mz) 16i (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x,x,1/2;-mx,-mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 8h (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 8g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8f (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8e (0,0,0;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,0;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) (0,0,1/2;-mx,-mx,0) (1/2,0,1/2;mx,-mx,0) (0,1/2,1/2;-mx,mx,0) (1/2,1/2,1/2;mx,mx,0) 4d (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 4a (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 125.11.1041 P_2c4'/nb'm UNI: 134.480 P4_2/nnm.1'_c[P4/nbm] BNS: 134.480 P_c4_2/nnm OG-BNS transformation: (1/2,1/2,-1;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,1) (4z-1|0,1/2,1) (2x|0,1/2,1) (2y|1/2,0,1) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1) (-4z-1|0,1/2,1) (mx|0,1/2,1) (my|1/2,0,1) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1)' (2xy|0,0,1)' (2-xy|1/2,1/2,1)' (-1|0,0,1)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1)' (mxy|0,0,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32n (x,y,z;mx,my,mz) (-y+1/2,x,z+1;-my,mx,mz) (y,-x+1/2,z+1;my,-mx,mz) (x,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1;-my,mx,mz) (-y,x+1/2,-z+1;my,-mx,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16m (x,-x,z;mx,mx,0) (x+1/2,x,z+1;-mx,mx,0) (-x,-x+1/2,z+1;mx,-mx,0) (x,x+1/2,-z+1;mx,-mx,0) (-x+1/2,-x,-z+1;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (x,-x,z+1;-mx,-mx,0) (x+1/2,x,z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x+1/2,-x,-z;mx,-mx,0) (-x+1/2,x+1/2,z+1;mx,mx,0) (-x,x,-z+1;-mx,-mx,0) (x+1/2,-x+1/2,-z+1;mx,mx,0) 16l (x,1/4,1/2;mx,0,0) (1/4,x,3/2;0,mx,0) (1/4,-x+1/2,-1/2;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,-1/4,-1/2;mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,-1/4,3/2;-mx,0,0) (x,1/4,3/2;-mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,-1/2;mx,0,0) (-x,-1/4,1/2;-mx,0,0) (3/4,-x,-1/2;0,-mx,0) (3/4,x+1/2,3/2;0,mx,0) (x+1/2,-1/4,1/2;mx,0,0) 16k (x,1/4,0;0,my,mz) (1/4,x,1;-my,0,mz) (1/4,-x+1/2,1;my,0,mz) (x,1/4,1;0,-my,-mz) (-x+1/2,1/4,1;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x,-1/4,0;0,my,mz) (3/4,-x,1;-my,0,mz) (-1/4,x+1/2,1;my,0,mz) (-x,3/4,1;0,-my,-mz) (x+1/2,-1/4,1;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) (-1/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) 16j (x,x,1/2;mx,-mx,mz) (-x+1/2,x,3/2;mx,mx,mz) (x,-x+1/2,3/2;-mx,-mx,mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,-1/2;mx,-mx,-mz) (-x,-x,-1/2;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (-x,x+1/2,3/2;mx,mx,-mz) (x+1/2,-x,3/2;-mx,-mx,-mz) (x+1/2,x+1/2,-1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 16i (x,x,0;mx,mx,0) (-x+1/2,x,1;-mx,mx,0) (x,-x+1/2,1;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,1;-mx,mx,0) (-x,x+1/2,1;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x+1/2,x,0;mx,-mx,0) (x,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,1;mx,mx,0) (-x,-x,1;-mx,-mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,1;mx,mx,0) 8h (3/4,1/4,z;0,0,0) (1/4,3/4,z+1;0,0,0) (3/4,1/4,-z+1;0,0,0) (1/4,-1/4,-z;0,0,0) (3/4,1/4,z+1;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,-1/4,-z+1;0,0,0) 8g (1/4,1/4,z;0,0,0) (1/4,1/4,z+1;0,0,0) (1/4,1/4,-z+1;0,0,0) (1/4,1/4,-z;0,0,0) (-1/4,-1/4,-z;0,0,0) (3/4,-1/4,-z+1;0,0,0) (-1/4,3/4,z+1;0,0,0) (3/4,3/4,z;0,0,0) 8f (0,0,1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,mx,0) (1/2,0,1;-mx,mx,0) (0,1/2,1;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) (0,0,1;-mx,-mx,0) (1/2,0,0;mx,-mx,0) (0,1/2,0;-mx,mx,0) (1/2,1/2,1;mx,mx,0) 4d (3/4,1/4,1/2;0,0,0) (1/4,-1/4,-1/2;0,0,0) (3/4,1/4,3/2;0,0,0) (1/4,-1/4,1/2;0,0,0) 4c (3/4,1/4,0;0,0,0) (1/4,3/4,1;0,0,0) (3/4,1/4,1;0,0,0) (1/4,-1/4,0;0,0,0) 4b (1/4,1/4,1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (3/4,3/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) (-1/4,3/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,1/2)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,1/2)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16m (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (x,-x,z+1/2;-mx,-mx,0) (x+1/2,x,z;mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x+1/2,-x,-z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) 16l (x,3/4,3/4;mx,0,0) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,1/4;-mx,0,0) (x,3/4,1/4;-mx,0,0) (3/4,x,3/4;0,-mx,0) (3/4,-x+1/2,3/4;0,mx,0) (-x+1/2,3/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,-x,1/4;0,-mx,0) (1/4,x+1/2,1/4;0,mx,0) (x+1/2,1/4,3/4;mx,0,0) 16k (x,3/4,1/2;0,my,mz) (3/4,x,0;-my,0,mz) (3/4,-x+1/2,0;my,0,mz) (x,3/4,0;0,-my,-mz) (-x+1/2,3/4,0;0,my,-mz) (-x+1/2,3/4,1/2;0,-my,mz) (3/4,x,1/2;my,0,-mz) (3/4,-x+1/2,1/2;-my,0,-mz) (-x,1/4,1/2;0,my,mz) (1/4,-x,0;-my,0,mz) (1/4,x+1/2,0;my,0,mz) (-x,1/4,0;0,-my,-mz) (x+1/2,1/4,0;0,my,-mz) (x+1/2,1/4,1/2;0,-my,mz) (1/4,-x,1/2;my,0,-mz) (1/4,x+1/2,1/2;-my,0,-mz) 16j (x,x,3/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (-x+1/2,-x+1/2,3/4;-mx,mx,mz) (x,x,1/4;-mx,mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,-mz) (-x,-x,1/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) 16i (x,x,1/2;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (x,x,0;-mx,-mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,0;mx,mx,0) 8h (1/4,3/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,z;0,0,0) 8f (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) 8e (1/2,1/2,1/2;mx,mx,0) (0,1/2,0;-mx,mx,0) (1/2,0,0;mx,-mx,0) (0,0,1/2;-mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,1/2;mx,-mx,0) (1/2,0,1/2;-mx,mx,0) (0,0,0;mx,mx,0) 4d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4c (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4b (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4a (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 125.12.1042 P_2c4'/nbm' UNI: 133.468 P4_2/nbc.1'_c[P4/nbm] BNS: 133.468 P_c4_2/nbc OG-BNS transformation: (1/2,1/2,-1;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,1) (4z-1|0,1/2,1) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|1/2,0,1) (-4z-1|0,1/2,1) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1)' (2y|1/2,0,1)' (2z|1/2,1/2,1)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1)' (my|1/2,0,1)' (mz|1/2,1/2,1)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32n (x,y,z;mx,my,mz) (-y+1/2,x,z+1;-my,mx,mz) (y,-x+1/2,z+1;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1;-my,mx,mz) (-y,x+1/2,-z+1;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1;-mx,my,mz) (x+1/2,-y,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1;mx,mx,mz) (-x,-x+1/2,z+1;-mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z+1;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1;mx,-mx,-mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x,-z+1;mx,mx,mz) (x,x+1/2,-z+1;-mx,-mx,mz) (-x,-x+1/2,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,-x,z+1;-mx,mx,-mz) (-x+1/2,x+1/2,z+1;mx,-mx,-mz) 16l (x,1/4,1/2;0,my,mz) (1/4,x,3/2;-my,0,mz) (1/4,-x+1/2,3/2;my,0,mz) (x,1/4,-1/2;0,-my,-mz) (-x+1/2,1/4,-1/2;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (1/4,x,1/2;my,0,-mz) (1/4,-x+1/2,1/2;-my,0,-mz) (-x,-1/4,-1/2;0,my,mz) (3/4,-x,1/2;-my,0,mz) (-1/4,x+1/2,1/2;my,0,mz) (-x,3/4,1/2;0,-my,-mz) (x+1/2,-1/4,1/2;0,my,-mz) (x+1/2,3/4,-1/2;0,-my,mz) (-1/4,-x,3/2;my,0,-mz) (3/4,x+1/2,3/2;-my,0,-mz) 16k (x,1/4,0;mx,0,0) (1/4,x,1;0,mx,0) (1/4,-x+1/2,1;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,-1/4,0;mx,0,0) (3/4,-x,1;0,mx,0) (3/4,x+1/2,1;0,-mx,0) (x+1/2,-1/4,0;-mx,0,0) (x,1/4,1;-mx,0,0) (1/4,x,0;0,-mx,0) (1/4,-x+1/2,0;0,mx,0) (-x+1/2,1/4,1;mx,0,0) (-x,-1/4,1;-mx,0,0) (3/4,-x,0;0,-mx,0) (3/4,x+1/2,0;0,mx,0) (x+1/2,-1/4,1;mx,0,0) 16j (x,x,1/2;mx,mx,0) (-x+1/2,x,-1/2;-mx,mx,0) (x,-x+1/2,-1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,-1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,-1/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,3/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,3/2;mx,-mx,0) (-x,x+1/2,3/2;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 16i (x,x,0;mx,-mx,mz) (-x+1/2,x,1;mx,mx,mz) (x,-x+1/2,1;-mx,-mx,mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,x,0;-mx,-mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x+1/2,-x+1/2,1;mx,-mx,-mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,1;mx,mx,mz) (-x,x+1/2,1;-mx,-mx,mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,-x,0;-mx,-mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) (-x,-x,1;-mx,mx,-mz) (x+1/2,x+1/2,1;mx,-mx,-mz) 8h (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,-1/4,-z+1;0,0,-mz) (-3/4,-1/4,-z;0,0,mz) (3/4,-3/4,-z+1;0,0,mz) (-3/4,3/4,z;0,0,-mz) (3/4,5/4,z+1;0,0,-mz) 8g (1/4,1/4,z;0,0,0) (1/4,1/4,z+1;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1;0,0,0) (-1/4,-1/4,-z;0,0,0) (3/4,-1/4,-z+1;0,0,0) (-1/4,3/4,z;0,0,0) (3/4,3/4,z+1;0,0,0) 8f (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,-mx,mz) (1/2,0,1;mx,mx,mz) (0,1/2,1;-mx,-mx,mz) (0,1/2,0;mx,mx,-mz) (1/2,0,0;-mx,-mx,-mz) (1/2,1/2,0;-mx,mx,mz) (0,0,1;-mx,mx,-mz) (1/2,1/2,1;mx,-mx,-mz) 4d (3/4,1/4,1/2;0,0,mz) (1/4,3/4,3/2;0,0,mz) (3/4,1/4,-1/2;0,0,-mz) (1/4,-1/4,1/2;0,0,-mz) 4c (3/4,1/4,0;0,0,0) (1/4,-1/4,1;0,0,0) (-3/4,-1/4,0;0,0,0) (3/4,5/4,1;0,0,0) 4b (1/4,1/4,1/2;0,0,0) (1/4,1/4,-1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (-1/4,3/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1;0,0,0) (-1/4,-1/4,0;0,0,0) (3/4,3/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1/2)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x+1/2,-x,-z;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z+1/2;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x,x+1/2,-z+1/2;-mx,-mx,mz) (-x,-x+1/2,z;mx,mx,-mz) (x+1/2,x,z;-mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,-x,z+1/2;-mx,mx,-mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) 16l (x,3/4,3/4;0,my,mz) (3/4,x,1/4;-my,0,mz) (3/4,-x+1/2,1/4;my,0,mz) (x,3/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x+1/2,3/4,3/4;0,-my,mz) (3/4,x,3/4;my,0,-mz) (3/4,-x+1/2,3/4;-my,0,-mz) (-x,1/4,1/4;0,my,mz) (1/4,-x,3/4;-my,0,mz) (1/4,x+1/2,3/4;my,0,mz) (-x,1/4,3/4;0,-my,-mz) (x+1/2,1/4,3/4;0,my,-mz) (x+1/2,1/4,1/4;0,-my,mz) (1/4,-x,1/4;my,0,-mz) (1/4,x+1/2,1/4;-my,0,-mz) 16k (x,3/4,1/2;mx,0,0) (3/4,x,0;0,mx,0) (3/4,-x+1/2,0;0,-mx,0) (-x+1/2,3/4,1/2;-mx,0,0) (-x,1/4,1/2;mx,0,0) (1/4,-x,0;0,mx,0) (1/4,x+1/2,0;0,-mx,0) (x+1/2,1/4,1/2;-mx,0,0) (x,3/4,0;-mx,0,0) (3/4,x,1/2;0,-mx,0) (3/4,-x+1/2,1/2;0,mx,0) (-x+1/2,3/4,0;mx,0,0) (-x,1/4,0;-mx,0,0) (1/4,-x,1/2;0,-mx,0) (1/4,x+1/2,1/2;0,mx,0) (x+1/2,1/4,0;mx,0,0) 16j (x,x,3/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x,x,1/4;-mx,-mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 16i (x,x,1/2;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x,x,0;-mx,mx,-mz) (-x+1/2,-x+1/2,0;mx,-mx,-mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 8h (1/4,3/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 8f (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,0,1/4;0,0,0) 8e (1/2,1/2,1/2;mx,-mx,mz) (0,1/2,0;mx,mx,mz) (1/2,0,0;-mx,-mx,mz) (1/2,0,1/2;mx,mx,-mz) (0,1/2,1/2;-mx,-mx,-mz) (0,0,1/2;-mx,mx,mz) (1/2,1/2,0;-mx,mx,-mz) (0,0,0;mx,-mx,-mz) 4d (1/4,3/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (3/4,1/4,3/4;0,0,-mz) 4c (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4b (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4a (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 125.13.1043 P_2c4/nb'm' UNI: 126.384 P4/nnc.1'_c[P4/nbm] BNS: 126.384 P_c4/nnc OG-BNS transformation: (0,0,-1;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1) (2y|1/2,0,1) (2z|1/2,1/2,0) (2xy|0,0,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1) (my|1/2,0,1) (mz|1/2,1/2,0) (mxy|0,0,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|1/2,0,1)' (4z-1|0,1/2,1)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1)' (-4z|1/2,0,1)' (-4z-1|0,1/2,1)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1;my,-mx,-mz) (y,-x+1/2,z+1;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z+1;my,-mx,-mz) (-y,x+1/2,-z+1;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z+1;mx,mx,-mz) (-x+1/2,-x,-z+1;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z+1;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1;mx,-mx,-mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x,-z;mx,mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1/2,x,z+1;-mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,-x,z+1;-mx,mx,-mz) (-x+1/2,x+1/2,z+1;mx,-mx,-mz) 16l (x,1/4,1/2;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,-1/4,-1/2;mx,0,0) (3/4,-x,-1/2;0,mx,0) (3/4,x+1/2,3/2;0,-mx,0) (x+1/2,-1/4,3/2;-mx,0,0) (x,1/4,3/2;-mx,0,0) (1/4,x,3/2;0,-mx,0) (1/4,-x+1/2,-1/2;0,mx,0) (-x+1/2,1/4,-1/2;mx,0,0) (-x,-1/4,1/2;-mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,-1/4,1/2;mx,0,0) 16k (x,1/4,0;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (x,1/4,1;0,-my,-mz) (-x+1/2,1/4,1;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (1/4,x,1;my,0,-mz) (1/4,-x+1/2,1;-my,0,-mz) (-x,-1/4,0;0,my,mz) (3/4,-x,0;-my,0,mz) (-1/4,x+1/2,0;my,0,mz) (-x,3/4,1;0,-my,-mz) (x+1/2,-1/4,1;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) (-1/4,-x,1;my,0,-mz) (3/4,x+1/2,1;-my,0,-mz) 16j (x,x,1/2;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,-1/2;mx,mx,0) (x+1/2,-x,3/2;-mx,mx,0) (-x,x+1/2,3/2;mx,-mx,0) (x+1/2,x+1/2,-1/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x+1/2,x,-1/2;mx,-mx,0) (x,-x+1/2,-1/2;-mx,mx,0) (-x+1/2,-x+1/2,3/2;mx,mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 16i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x,-x+1/2,1;mx,mx,-mz) (-x+1/2,x,1;-mx,-mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x+1/2,-x+1/2,1;mx,-mx,-mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (-x,x+1/2,1;mx,mx,-mz) (x+1/2,-x,1;-mx,-mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) (-x,-x,1;-mx,mx,-mz) (x+1/2,x+1/2,1;mx,-mx,-mz) 8h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1;0,0,-mz) (1/4,-1/4,-z+1;0,0,-mz) (-3/4,-1/4,-z;0,0,mz) (3/4,-3/4,-z;0,0,mz) (-3/4,3/4,z+1;0,0,-mz) (3/4,5/4,z+1;0,0,-mz) 8g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (-1/4,3/4,z+1;0,0,-mz) (1/4,1/4,z+1;0,0,-mz) (1/4,1/4,-z;0,0,mz) (-1/4,-1/4,-z+1;0,0,-mz) (-1/4,3/4,z;0,0,mz) 8f (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8e (0,0,0;mx,-mx,mz) (1/2,0,0;mx,mx,mz) (0,1/2,0;-mx,-mx,mz) (0,1/2,1;mx,mx,-mz) (1/2,0,1;-mx,-mx,-mz) (1/2,1/2,0;-mx,mx,mz) (0,0,1;-mx,mx,-mz) (1/2,1/2,1;mx,-mx,-mz) 4d (3/4,1/4,1/2;0,0,0) (1/4,-1/4,1/2;0,0,0) (-3/4,-1/4,-1/2;0,0,0) (3/4,5/4,3/2;0,0,0) 4c (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1;0,0,-mz) (1/4,-1/4,1;0,0,-mz) 4b (1/4,1/4,1/2;0,0,0) (-1/4,-1/4,-1/2;0,0,0) (1/4,1/4,3/2;0,0,0) (-1/4,-1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1;0,0,-mz) (-1/4,-1/4,0;0,0,mz) (-1/4,3/4,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1/2)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32n (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16m (x,-x,z;mx,-mx,mz) (x+1/2,x,z;mx,mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z+1/2;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x,-z;mx,mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,-x,z+1/2;-mx,mx,-mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) 16l (x,1/4,3/4;mx,0,0) (1/4,x,3/4;0,mx,0) (1/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,-x,1/4;0,mx,0) (3/4,x+1/2,1/4;0,-mx,0) (x+1/2,3/4,1/4;-mx,0,0) (x,1/4,1/4;-mx,0,0) (1/4,x,1/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 16k (x,1/4,1/2;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (x,1/4,0;0,-my,-mz) (-x+1/2,1/4,0;0,my,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x,3/4,1/2;0,my,mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (-x,3/4,0;0,-my,-mz) (x+1/2,3/4,0;0,my,-mz) (x+1/2,3/4,1/2;0,-my,mz) (3/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) 16j (x,x,3/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x,x,1/4;-mx,-mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 16i (x,x,1/2;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,x,0;-mx,-mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (x,x,0;-mx,mx,-mz) (-x+1/2,-x+1/2,0;mx,-mx,-mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,-x,0;-mx,-mx,-mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 8h (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8g (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 8f (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) 8e (0,0,1/2;mx,-mx,mz) (1/2,0,1/2;mx,mx,mz) (0,1/2,1/2;-mx,-mx,mz) (0,1/2,0;mx,mx,-mz) (1/2,0,0;-mx,-mx,-mz) (1/2,1/2,1/2;-mx,mx,mz) (0,0,0;-mx,mx,-mz) (1/2,1/2,0;mx,-mx,-mz) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4c (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) (3/4,1/4,0;0,0,-mz) (1/4,3/4,0;0,0,-mz) 4b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4a (1/4,1/4,1/2;0,0,mz) (1/4,1/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,mz) (3/4,3/4,0;0,0,-mz) ---------- OG: 126.1.1044 P4/nnc UNI: 126.375 P4/nnc.1 BNS: 126.375 P4/nnc Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,3/4,1/4;mx,0,0) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,3/4;-mx,0,0) 8i (x,1/4,1/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,3/4;-mx,0,0) 8h (x,x,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8f (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;my,mx,-mz) (1/2,1/2,1/2;-my,-mx,-mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 4d (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.2.1045 P4/nnc1' UNI: 126.376 P4/nnc.1' BNS: 126.376 P4/nnc1' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 8j (x,3/4,1/4;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x+1/2,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,-x,3/4;0,0,0) (1/4,x+1/2,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) 8i (x,1/4,1/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 8h (x,x,1/4;0,0,0) (-x+1/2,x,1/4;0,0,0) (x,-x+1/2,1/4;0,0,0) (-x+1/2,-x+1/2,1/4;0,0,0) (-x,-x,3/4;0,0,0) (x+1/2,-x,3/4;0,0,0) (-x,x+1/2,3/4;0,0,0) (x+1/2,x+1/2,3/4;0,0,0) 8g (1/4,3/4,z;0,0,0) (3/4,1/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) 8f (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.3.1046 P4/n'nc UNI: 126.377 P4/n'nc BNS: 126.377 P4/n'nc Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0)' (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,3/4,1/4;0,my,mz) (3/4,x,1/4;-my,0,mz) (3/4,-x+1/2,1/4;my,0,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,-my,-mz) (1/4,-x,3/4;my,0,-mz) (1/4,x+1/2,3/4;-my,0,-mz) (x+1/2,1/4,3/4;0,my,-mz) 8i (x,1/4,1/4;0,my,mz) (1/4,x,1/4;-my,0,mz) (1/4,-x+1/2,1/4;my,0,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (3/4,-x,3/4;my,0,-mz) (3/4,x+1/2,3/4;-my,0,-mz) (x+1/2,3/4,3/4;0,my,-mz) 8h (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x,x+1/2,3/4;mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8f (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) (1/4,3/4,1/4;0,0,-mz) 2b (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) ---------- OG: 126.4.1047 P4'/nn'c UNI: 126.378 P4'/nn'c BNS: 126.378 P4'/nn'c Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,3/4,1/4;0,my,mz) (3/4,x,1/4;my,0,-mz) (3/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (1/4,-x,3/4;my,0,-mz) (1/4,x+1/2,3/4;-my,0,-mz) (x+1/2,1/4,3/4;0,-my,mz) 8i (x,1/4,1/4;0,my,mz) (1/4,x,1/4;my,0,-mz) (1/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (3/4,-x,3/4;my,0,-mz) (3/4,x+1/2,3/4;-my,0,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8h (x,x,1/4;mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8f (0,0,0;mx,my,mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;my,mx,-mz) (1/2,1/2,1/2;-my,-mx,-mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.5.1048 P4'/nnc' UNI: 126.379 P4'/nnc' BNS: 126.379 P4'/nnc' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,3/4,1/4;mx,0,0) (3/4,x,1/4;0,-mx,0) (3/4,-x+1/2,1/4;0,mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (1/4,-x,3/4;0,-mx,0) (1/4,x+1/2,3/4;0,mx,0) (x+1/2,1/4,3/4;-mx,0,0) 8i (x,1/4,1/4;mx,0,0) (1/4,x,1/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,3/4;-mx,0,0) 8h (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x,x+1/2,3/4;mx,mx,-mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8f (0,0,0;mx,my,mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (0,1/2,1/2;mx,-my,-mz) (1/2,0,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-my,-mx,mz) (1/2,1/2,1/2;my,mx,mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.6.1049 P4'/n'n'c UNI: 126.380 P4'/n'n'c BNS: 126.380 P4'/n'n'c Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,3/4,1/4;mx,0,0) (3/4,x,1/4;0,-mx,0) (3/4,-x+1/2,1/4;0,mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,3/4;mx,0,0) 8i (x,1/4,1/4;mx,0,0) (1/4,x,1/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,3/4;mx,0,0) 8h (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8f (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,mz) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.7.1050 P4/nn'c' UNI: 126.381 P4/nn'c' BNS: 126.381 P4/nn'c' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,3/4,1/4;0,my,mz) (3/4,x,1/4;-my,0,mz) (3/4,-x+1/2,1/4;my,0,mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,my,mz) (1/4,-x,3/4;-my,0,mz) (1/4,x+1/2,3/4;my,0,mz) (x+1/2,1/4,3/4;0,-my,mz) 8i (x,1/4,1/4;0,my,mz) (1/4,x,1/4;-my,0,mz) (1/4,-x+1/2,1/4;my,0,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (3/4,-x,3/4;-my,0,mz) (3/4,x+1/2,3/4;my,0,mz) (x+1/2,3/4,3/4;0,-my,mz) 8h (x,x,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 8f (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (0,1/2,1/2;-mx,my,mz) (1/2,0,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-my,-mx,mz) (1/2,1/2,1/2;my,mx,mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) 4d (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,mz) 4c (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) 2b (1/4,1/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 2a (1/4,1/4,1/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) ---------- OG: 126.8.1051 P4'/n'nc' UNI: 126.382 P4'/n'nc' BNS: 126.382 P4'/n'nc' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,3/4,1/4;0,my,mz) (3/4,x,1/4;my,0,-mz) (3/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,3/4,1/4;0,-my,mz) (-x,1/4,3/4;0,-my,-mz) (1/4,-x,3/4;-my,0,mz) (1/4,x+1/2,3/4;my,0,mz) (x+1/2,1/4,3/4;0,my,-mz) 8i (x,1/4,1/4;0,my,mz) (1/4,x,1/4;my,0,-mz) (1/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (3/4,-x,3/4;-my,0,mz) (3/4,x+1/2,3/4;my,0,mz) (x+1/2,3/4,3/4;0,my,-mz) 8h (x,x,1/4;mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8f (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,-mz) 4c (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,-mz) (1/4,3/4,1/4;0,0,mz) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 126.9.1052 P4/n'n'c' UNI: 126.383 P4/n'n'c' BNS: 126.383 P4/n'n'c' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,3/4,1/4;mx,0,0) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,-x,3/4;0,-mx,0) (1/4,x+1/2,3/4;0,mx,0) (x+1/2,1/4,3/4;mx,0,0) 8i (x,1/4,1/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 8h (x,x,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 8f (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 127.1.1053 P4/mbm UNI: 127.387 P4/mbm.1 BNS: 127.387 P4/mbm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8k (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) 8j (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) 4h (x,x+1/2,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) 4g (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) ---------- OG: 127.2.1054 P4/mbm1' UNI: 127.388 P4/mbm.1' BNS: 127.388 P4/mbm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z;0,0,0) (-y+1/2,-x+1/2,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (x,y,-z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y+1/2,x+1/2,z;0,0,0) 8k (x,x+1/2,z;0,0,0) (-x+1/2,x,z;0,0,0) (x+1/2,-x,z;0,0,0) (x+1/2,-x,-z;0,0,0) (-x+1/2,x,-z;0,0,0) (-x,-x+1/2,z;0,0,0) (x,x+1/2,-z;0,0,0) (-x,-x+1/2,-z;0,0,0) 8j (x,y,1/2;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,1/2;0,0,0) (y+1/2,x+1/2,1/2;0,0,0) (-y+1/2,-x+1/2,1/2;0,0,0) 8i (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x+1/2,-y+1/2,0;0,0,0) (-x+1/2,y+1/2,0;0,0,0) (-x,-y,0;0,0,0) (y+1/2,x+1/2,0;0,0,0) (-y+1/2,-x+1/2,0;0,0,0) 4h (x,x+1/2,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) 4g (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.3.1055 P4/m'bm UNI: 127.389 P4/m'bm BNS: 127.389 P4/m'bm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8k (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x+1/2,x,-z;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;mx,-mx,0) (-x,-x+1/2,-z;-mx,mx,0) 8j (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8i (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,0;-my,-mx,0) (-y+1/2,-x+1/2,0;my,mx,0) 4h (x,x+1/2,1/2;mx,-mx,0) (-x+1/2,x,1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;-mx,mx,0) 4g (x,x+1/2,0;mx,-mx,0) (-x+1/2,x,0;mx,mx,0) (x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;-mx,mx,0) 4f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,-mz) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.4.1056 P4'/mb'm UNI: 127.390 P4'/mb'm BNS: 127.390 P4'/mb'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8k (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x+1/2,x,-z;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) 8j (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8i (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) 4h (x,x+1/2,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) 4g (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) 4f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.5.1057 P4'/mbm' UNI: 127.391 P4'/mbm' BNS: 127.391 P4'/mbm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x,-z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,-z;mx,mx,mz) 8j (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8i (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 4h (x,x+1/2,1/2;0,0,mz) (-x+1/2,x,1/2;0,0,-mz) (x+1/2,-x,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,mz) 4g (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,-mz) (x+1/2,-x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.6.1058 P4'/m'b'm UNI: 127.392 P4'/m'b'm BNS: 127.392 P4'/m'b'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8k (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;mx,-mx,0) (-x,-x+1/2,-z;-mx,mx,0) 8j (x,y,1/2;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8i (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,0;-my,-mx,0) (-y+1/2,-x+1/2,0;my,mx,0) 4h (x,x+1/2,1/2;mx,-mx,0) (-x+1/2,x,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,mx,0) 4g (x,x+1/2,0;mx,-mx,0) (-x+1/2,x,0;-mx,-mx,0) (x+1/2,-x,0;mx,mx,0) (-x,-x+1/2,0;-mx,mx,0) 4f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.7.1059 P4/mb'm' UNI: 127.393 P4/mb'm' BNS: 127.393 P4/mb'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,-z;mx,mx,mz) 8j (x,y,1/2;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 4h (x,x+1/2,1/2;0,0,mz) (-x+1/2,x,1/2;0,0,mz) (x+1/2,-x,1/2;0,0,mz) (-x,-x+1/2,1/2;0,0,mz) 4g (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (-x,-x+1/2,0;0,0,mz) 4f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) ---------- OG: 127.8.1060 P4'/m'bm' UNI: 127.394 P4'/m'bm' BNS: 127.394 P4'/m'bm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x,-x+1/2,-z;-mx,-mx,-mz) 8j (x,y,1/2;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8i (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,0;my,mx,0) (-y+1/2,-x+1/2,0;-my,-mx,0) 4h (x,x+1/2,1/2;mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) 4g (x,x+1/2,0;mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) 4f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.9.1061 P4/m'b'm' UNI: 127.395 P4/m'b'm' BNS: 127.395 P4/m'b'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x,-z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;mx,mx,-mz) (-x,-x+1/2,-z;-mx,-mx,-mz) 8j (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8i (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,0;my,mx,0) (-y+1/2,-x+1/2,0;-my,-mx,0) 4h (x,x+1/2,1/2;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) 4g (x,x+1/2,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,-x+1/2,0;-mx,-mx,0) 4f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z;0,0,mz) 2d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) ---------- OG: 127.10.1062 P_2c4/mbm UNI: 127.396 P4/mbm.1'_c[P4/mbm] BNS: 127.396 P_c4/mbm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,1)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16k (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x+1,-z;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x,x+1/2,z+1;-mx,mx,0) (-x-1/2,x,z+1;-mx,-mx,0) (x+1/2,-x,z+1;mx,mx,0) (x+1/2,-x,-z+1;-mx,-mx,0) (-x+1/2,x+1,-z+1;mx,mx,0) (-x,-x-1/2,z+1;mx,-mx,0) (x+1,x+1/2,-z+1;mx,-mx,0) (-x,-x+1/2,-z+1;-mx,mx,0) 16j (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,-1/2;my,mx,0) (-y+1/2,-x+1/2,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x,-y,1;0,0,-mz) (y+1/2,x+1/2,1;0,0,mz) (-y+1/2,-x+1/2,1;0,0,mz) 8h (x,x+1/2,1/2;mx,-mx,0) (-x-1/2,x,1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,-mx,0) (x+1/2,-x,-1/2;mx,mx,0) (-x+1/2,x+1,-1/2;-mx,-mx,0) (-x,-x-1/2,1/2;-mx,mx,0) (x+1,x+1/2,-1/2;-mx,mx,0) (-x,-x+1/2,-1/2;mx,-mx,0) 8g (x,x+1/2,0;0,0,0) (-x+1/2,x+1,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x-1/2,0;0,0,0) (x,x+1/2,1;0,0,0) (-x+1/2,x+1,1;0,0,0) (x+1/2,-x,1;0,0,0) (-x,-x-1/2,1;0,0,0) 8f (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (-1/2,0,z+1;0,0,0) (1/2,0,-z+1;0,0,0) (0,1/2,-z+1;0,0,0) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1;0,0,0) (1/2,0,1;0,0,0) 4c (0,1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,1;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16k (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (x+1/2,-x,-z+1/2;-mx,-mx,0) (-x+1/2,x,-z+1/2;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x,-x+1/2,-z+1/2;-mx,mx,0) 16j (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y+1/2,x+1/2,3/4;my,mx,0) (-y+1/2,-x+1/2,3/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y+1/2,-x+1/2,1/4;my,mx,0) (y+1/2,x+1/2,1/4;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8h (x,x+1/2,1/4;mx,-mx,0) (-x+1/2,x,1/4;mx,mx,0) (x+1/2,-x,1/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,mx,0) (-x+1/2,x,3/4;-mx,-mx,0) (-x,-x+1/2,1/4;-mx,mx,0) (x,x+1/2,3/4;-mx,mx,0) (-x,-x+1/2,3/4;mx,-mx,0) 8g (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) (x,x+1/2,1/2;0,0,0) (-x+1/2,x,1/2;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) 8f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8e (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4b (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 127.11.1063 P_2c4'/mb'm UNI: 136.504 P4_2/mnm.1'_c[P4/mbm] BNS: 136.504 P_c4_2/mnm OG-BNS transformation: (1/2,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32l (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16k (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z+1;mx,mx,0) (x+1/2,-x,z+1;-mx,-mx,0) (x+1/2,-x,-z+1;mx,mx,0) (-x+1/2,x+1,-z+1;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x,x+1/2,z+1;-mx,mx,0) (-x-1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x+1/2,x+1,-z;mx,mx,0) (-x,-x-1/2,z+1;mx,-mx,0) (x+1,x+1/2,-z+1;mx,-mx,0) (-x,-x+1/2,-z+1;-mx,mx,0) 16j (x,y,1/2;mx,my,0) (-y,x,3/2;-my,mx,0) (y,-x,3/2;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,-1/2;my,mx,0) (-y+1/2,-x+1/2,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x+1/2,-y+1/2,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,1;0,0,mz) (y,-x,1;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1;0,0,-mz) (y+1/2,x+1/2,1;0,0,mz) (-y+1/2,-x+1/2,1;0,0,mz) 8h (x,x+1/2,1/2;mx,-mx,0) (-x-1/2,x,3/2;mx,mx,0) (x+1/2,-x,3/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,mx,0) (-x+1/2,x+1,1/2;-mx,-mx,0) (-x,-x-1/2,1/2;-mx,mx,0) (x+1,x+1/2,-1/2;-mx,mx,0) (-x,-x+1/2,-1/2;mx,-mx,0) 8g (x,x+1/2,0;0,0,0) (-x+1/2,x+1,1;0,0,0) (x+1/2,-x,1;0,0,0) (-x,-x-1/2,0;0,0,0) (x,x+1/2,1;0,0,0) (-x+1/2,x+1,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x-1/2,1;0,0,0) 8f (0,1/2,z;0,0,0) (-1/2,0,z+1;0,0,0) (1/2,0,-z+1;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,z+1;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1;0,0,0) 8e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (1/2,1/2,-z+1;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) (1/2,1/2,z+1;0,0,0) (1/2,1/2,z;0,0,0) 4d (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (0,1/2,1;0,0,0) (1/2,0,0;0,0,0) 4c (0,1/2,1/2;0,0,0) (-1/2,0,3/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,-1/2;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32l (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16k (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (-x+1/2,x+1/2,-z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) 16j (x,y,1/4;mx,my,0) (-y+1/2,x+1/2,3/4;-my,mx,0) (y+1/2,-x+1/2,3/4;my,-mx,0) (x+1/2,-y+1/2,1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y,x,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y+1/2,-x+1/2,1/4;-my,mx,0) (-y+1/2,x+1/2,1/4;my,-mx,0) (-x+1/2,y+1/2,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y,-x,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8h (x,x,1/4;mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,mx,0) (x+1/2,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,1/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,-mx,0) (-x,-x,1/4;-mx,mx,0) (x,x,3/4;-mx,mx,0) (-x,-x,3/4;mx,-mx,0) 8g (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) (x,x,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x,-x,1/2;0,0,0) 8f (1/2,1/2,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 8e (1/2,0,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,z;0,0,0) 4d (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,0;0,0,0) 4c (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4b (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 127.12.1064 P_2c4'/mbm' UNI: 135.492 P4_2/mbc.1'_c[P4/mbm] BNS: 135.492 P_c4_2/mbc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,1) (4z-1|0,0,1) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|0,0,1) (-4z-1|0,0,1) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|0,0,1)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,1)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32l (x,y,z;mx,my,mz) (-y,x,z+1;-my,mx,mz) (y,-x,z+1;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1;-my,mx,mz) (-y,x,-z+1;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16k (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z+1;-mx,mx,mz) (x+1/2,-x,z+1;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x+1,-z;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1,x+1/2,-z+1;mx,mx,-mz) (-x,-x+1/2,-z+1;-mx,-mx,-mz) (-x,-x-1/2,-z;mx,mx,mz) (x+1/2,-x,-z+1;-mx,mx,mz) (-x-1/2,x,-z+1;mx,-mx,mz) (-x+1/2,x+1,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1,x+1/2,z+1;-mx,-mx,-mz) 16j (x,y,1/2;mx,my,0) (-y,x,3/2;-my,mx,0) (y,-x,3/2;my,-mx,0) (x+1/2,-y+1/2,-1/2;mx,-my,0) (-x+1/2,y+1/2,-1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y+1/2,-x+1/2,3/2;my,mx,0) (y+1/2,x+1/2,3/2;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,1;0,0,mz) (y,-x,1;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1;0,0,-mz) (-y+1/2,-x+1/2,1;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x,-y,1;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 8h (x,x+1/2,1/2;mx,mx,0) (-x+1/2,x+1,-1/2;-mx,mx,0) (x+1/2,-x,-1/2;mx,-mx,0) (-x,-x-1/2,1/2;-mx,-mx,0) (-x,-x-1/2,-1/2;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x+1/2,x+1,1/2;mx,-mx,0) (x,x+1/2,-1/2;-mx,-mx,0) 8g (x,x+1/2,0;0,0,mz) (-x-1/2,x,1;0,0,mz) (x+1/2,-x,1;0,0,mz) (x+1/2,-x,0;0,0,-mz) (-x+1/2,x+1,0;0,0,-mz) (-x,-x-1/2,0;0,0,mz) (x+1,x+1/2,1;0,0,-mz) (-x,-x+1/2,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z+1;0,0,mz) (1/2,1,z;0,0,-mz) (1,1/2,z+1;0,0,-mz) 8e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1;0,0,0) 4d (0,1/2,0;0,0,mz) (-1/2,0,1;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1;0,0,-mz) 4c (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,1/2;0,0,0) 4b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32l (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x+1/2,x,-z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x+1/2,x,-z+1/2;mx,-mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) 16j (x,y,1/4;mx,my,0) (-y,x,3/4;-my,mx,0) (y,-x,3/4;my,-mx,0) (x+1/2,-y+1/2,3/4;mx,-my,0) (-x+1/2,y+1/2,3/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y+1/2,x+1/2,1/4;my,mx,0) (-y+1/2,-x+1/2,1/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,1/4;-my,mx,0) (-y,x,1/4;my,-mx,0) (-x+1/2,y+1/2,1/4;mx,-my,0) (x+1/2,-y+1/2,1/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y+1/2,-x+1/2,3/4;my,mx,0) (y+1/2,x+1/2,3/4;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 8h (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8g (x,x+1/2,0;0,0,mz) (-x+1/2,x,1/2;0,0,mz) (x+1/2,-x,1/2;0,0,mz) (x+1/2,-x,0;0,0,-mz) (-x+1/2,x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (x,x+1/2,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4c (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 127.13.1065 P_2c4/mb'm' UNI: 128.408 P4/mnc.1'_c[P4/mbm] BNS: 128.408 P_c4/mnc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|0,0,1)' (4z-1|0,0,1)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1)' (-4z|0,0,1)' (-4z-1|0,0,1)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x,z+1;my,-mx,-mz) (y,-x,z+1;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x,-z+1;my,-mx,-mz) (-y,x,-z+1;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16k (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z+1;mx,-mx,-mz) (-x+1/2,x+1,-z+1;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1,x+1/2,-z+1;mx,mx,-mz) (-x,-x+1/2,-z+1;-mx,-mx,-mz) (-x,-x-1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x-1/2,x,-z;mx,-mx,mz) (-x+1/2,x+1,z+1;mx,-mx,-mz) (x+1/2,-x,z+1;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1;mx,mx,-mz) (x+1,x+1/2,z+1;-mx,-mx,-mz) 16j (x,y,1/2;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,1/2;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (y,-x,-1/2;-my,mx,0) (-y,x,-1/2;my,-mx,0) (-x+1/2,y+1/2,3/2;mx,-my,0) (x+1/2,-y+1/2,3/2;-mx,my,0) (x,y,-1/2;-mx,-my,0) (-y+1/2,-x+1/2,3/2;my,mx,0) (y+1/2,x+1/2,3/2;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1;0,0,-mz) (-y+1/2,-x+1/2,1;0,0,-mz) (x,y,1;0,0,-mz) (-y,x,1;0,0,-mz) (y,-x,1;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 8h (x,x+1/2,1/2;mx,mx,0) (-x+1/2,x+1,1/2;-mx,mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,-x-1/2,1/2;-mx,-mx,0) (-x,-x-1/2,-1/2;mx,mx,0) (x+1/2,-x,3/2;-mx,mx,0) (-x+1/2,x+1,3/2;mx,-mx,0) (x,x+1/2,-1/2;-mx,-mx,0) 8g (x,x+1/2,0;0,0,mz) (-x-1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x+1/2,-x,1;0,0,-mz) (-x+1/2,x+1,1;0,0,-mz) (-x,-x-1/2,0;0,0,mz) (x+1,x+1/2,1;0,0,-mz) (-x,-x+1/2,1;0,0,-mz) 8f (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,1/2,-z+1;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1,1/2,z+1;0,0,-mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,0,z+1;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (1/2,0,1;0,0,-mz) (0,1/2,1;0,0,-mz) 4c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1,3/2;0,0,0) 4b (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,1/2,3/2;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (0,0,1;0,0,-mz) (1/2,1/2,0;0,0,mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,1/2)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|0,0,1/2)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32l (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16k (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) 16j (x,y,1/4;mx,my,0) (-y,x,1/4;-my,mx,0) (y,-x,1/4;my,-mx,0) (x+1/2,-y+1/2,1/4;mx,-my,0) (-x+1/2,y+1/2,1/4;-mx,my,0) (-x,-y,1/4;-mx,-my,0) (y+1/2,x+1/2,1/4;my,mx,0) (-y+1/2,-x+1/2,1/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (y,-x,3/4;-my,mx,0) (-y,x,3/4;my,-mx,0) (-x+1/2,y+1/2,3/4;mx,-my,0) (x+1/2,-y+1/2,3/4;-mx,my,0) (x,y,3/4;-mx,-my,0) (-y+1/2,-x+1/2,3/4;my,mx,0) (y+1/2,x+1/2,3/4;-my,-mx,0) 16i (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 8h (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8g (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x+1/2,-x,1/2;0,0,-mz) (-x+1/2,x,1/2;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (x,x+1/2,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 4d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4c (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4b (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) ---------- OG: 128.1.1066 P4/mnc UNI: 128.399 P4/mnc.1 BNS: 128.399 P4/mnc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 128.2.1067 P4/mnc1' UNI: 128.400 P4/mnc.1' BNS: 128.400 P4/mnc1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x,y,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 8h (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,0;0,0,0) (y+1/2,x+1/2,1/2;0,0,0) (-y+1/2,-x+1/2,1/2;0,0,0) 8g (x,x+1/2,1/4;0,0,0) (-x+1/2,x,1/4;0,0,0) (x+1/2,-x,1/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (-x,-x+1/2,3/4;0,0,0) (x+1/2,-x,3/4;0,0,0) (-x+1/2,x,3/4;0,0,0) (x,x+1/2,3/4;0,0,0) 8f (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.3.1068 P4/m'nc UNI: 128.401 P4/m'nc BNS: 128.401 P4/m'nc Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x+1/2,x,3/4;mx,mx,-mz) (x,x+1/2,3/4;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.4.1069 P4'/mn'c UNI: 128.402 P4'/mn'c BNS: 128.402 P4'/mn'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.5.1070 P4'/mnc' UNI: 128.403 P4'/mnc' BNS: 128.403 P4'/mnc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (-x+1/2,x,3/4;mx,mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.6.1071 P4'/m'n'c UNI: 128.404 P4'/m'n'c BNS: 128.404 P4'/m'n'c Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x,x+1/2,3/4;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) (1/2,0,3/4;0,0,mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.7.1072 P4/mn'c' UNI: 128.405 P4/mn'c' BNS: 128.405 P4/mn'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x,x+1/2,3/4;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 128.8.1073 P4'/m'nc' UNI: 128.406 P4'/m'nc' BNS: 128.406 P4'/m'nc' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 128.9.1074 P4/m'n'c' UNI: 128.407 P4/m'n'c' BNS: 128.407 P4/m'n'c' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,x+1/2,3/4;mx,mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 129.1.1075 P4/nmm UNI: 129.411 P4/nmm.1 BNS: 129.411 P4/nmm Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,mx,0) (y,1/4,z;0,-mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,mx,0) (-y,3/4,-z;0,-mx,0) 8h (x,-x,1/2;mx,-mx,0) (x+1/2,x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) 8g (x,-x,0;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4e (0,0,1/2;mx,-mx,0) (1/2,0,1/2;mx,mx,0) (0,1/2,1/2;-mx,-mx,0) (1/2,1/2,1/2;-mx,mx,0) 4d (0,0,0;mx,-mx,0) (1/2,0,0;mx,mx,0) (0,1/2,0;-mx,-mx,0) (1/2,1/2,0;-mx,mx,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.2.1076 P4/nmm1' UNI: 129.412 P4/nmm.1' BNS: 129.412 P4/nmm1' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y+1/2,x+1/2,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y,x,z;0,0,0) 8j (x,x,z;0,0,0) (-x+1/2,x,z;0,0,0) (x,-x+1/2,z;0,0,0) (x+1/2,-x,-z;0,0,0) (-x,x+1/2,-z;0,0,0) (-x+1/2,-x+1/2,z;0,0,0) (x+1/2,x+1/2,-z;0,0,0) (-x,-x,-z;0,0,0) 8i (1/4,y,z;0,0,0) (-y+1/2,1/4,z;0,0,0) (y,1/4,z;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y+1/2,-z;0,0,0) (1/4,-y+1/2,z;0,0,0) (y+1/2,3/4,-z;0,0,0) (-y,3/4,-z;0,0,0) 8h (x,-x,1/2;0,0,0) (x+1/2,x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (-x,x,1/2;0,0,0) (-x+1/2,-x,1/2;0,0,0) (x,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) 8g (x,-x,0;0,0,0) (x+1/2,x,0;0,0,0) (-x,-x+1/2,0;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (-x,x,0;0,0,0) (-x+1/2,-x,0;0,0,0) (x,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.3.1077 P4/n'mm UNI: 129.413 P4/n'mm BNS: 129.413 P4/n'mm Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,mx,0) (y,1/4,z;0,-mx,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,-mx,0) (-y,3/4,-z;0,mx,0) 8h (x,-x,1/2;mx,mx,mz) (x+1/2,x,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) 8g (x,-x,0;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (x,x+1/2,0;-mx,mx,-mz) (x+1/2,-x+1/2,0;mx,mx,-mz) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.4.1078 P4'/nm'm UNI: 129.414 P4'/nm'm BNS: 129.414 P4'/nm'm Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;my,0,-mz) (y,1/4,z;-my,0,-mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;my,0,-mz) (-y,3/4,-z;-my,0,-mz) 8h (x,-x,1/2;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) 8g (x,-x,0;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (x,x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) 4f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,-mz) 4e (0,0,1/2;mx,-mx,0) (1/2,0,1/2;-mx,-mx,0) (0,1/2,1/2;mx,mx,0) (1/2,1/2,1/2;-mx,mx,0) 4d (0,0,0;mx,-mx,0) (1/2,0,0;-mx,-mx,0) (0,1/2,0;mx,mx,0) (1/2,1/2,0;-mx,mx,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.5.1079 P4'/nmm' UNI: 129.415 P4'/nmm' BNS: 129.415 P4'/nmm' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,-z;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,-mx,0) (y,1/4,z;0,mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,-mx,0) (-y,3/4,-z;0,mx,0) 8h (x,-x,1/2;mx,mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) 8g (x,-x,0;mx,mx,mz) (x+1/2,x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,0;mx,-mx,-mz) (x,x+1/2,0;-mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4e (0,0,1/2;mx,mx,mz) (1/2,0,1/2;mx,-mx,-mz) (0,1/2,1/2;-mx,mx,-mz) (1/2,1/2,1/2;-mx,-mx,mz) 4d (0,0,0;mx,mx,mz) (1/2,0,0;mx,-mx,-mz) (0,1/2,0;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.6.1080 P4'/n'm'm UNI: 129.416 P4'/n'm'm BNS: 129.416 P4'/n'm'm Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,-x,-z;mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;my,0,-mz) (y,1/4,z;-my,0,-mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;-my,0,mz) (-y,3/4,-z;my,0,mz) 8h (x,-x,1/2;mx,mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (-x+1/2,-x,1/2;-mx,mx,mz) (x,x+1/2,1/2;mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) 8g (x,-x,0;mx,mx,mz) (x+1/2,x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (x+1/2,-x+1/2,0;mx,mx,-mz) 4f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,-mz) 2a (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) ---------- OG: 129.7.1081 P4/nm'm' UNI: 129.417 P4/nm'm' BNS: 129.417 P4/nm'm' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;-my,0,mz) (y,1/4,z;my,0,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;-my,0,mz) (-y,3/4,-z;my,0,mz) 8h (x,-x,1/2;mx,mx,mz) (x+1/2,x,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (-x+1/2,-x,1/2;-mx,mx,mz) (x,x+1/2,1/2;mx,-mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) 8g (x,-x,0;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) 4f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) 4e (0,0,1/2;mx,mx,mz) (1/2,0,1/2;-mx,mx,mz) (0,1/2,1/2;mx,-mx,mz) (1/2,1/2,1/2;-mx,-mx,mz) 4d (0,0,0;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (1/2,1/2,0;-mx,-mx,mz) 2c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,mz) 2b (3/4,1/4,1/2;0,0,mz) (1/4,3/4,1/2;0,0,mz) 2a (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) ---------- OG: 129.8.1082 P4'/n'mm' UNI: 129.418 P4'/n'mm' BNS: 129.418 P4'/n'mm' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,-mx,0) (y,1/4,z;0,mx,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,mx,0) (-y,3/4,-z;0,-mx,0) 8h (x,-x,1/2;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 8g (x,-x,0;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;-mx,mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) 4f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.9.1083 P4/n'm'm' UNI: 129.419 P4/n'm'm' BNS: 129.419 P4/n'm'm' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,-z;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;-my,0,mz) (y,1/4,z;my,0,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;my,0,-mz) (-y,3/4,-z;-my,0,-mz) 8h (x,-x,1/2;mx,-mx,0) (x+1/2,x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 8g (x,-x,0;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;-mx,mx,0) (-x+1/2,-x,0;-mx,-mx,0) (x,x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) 4f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) 4e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) 2b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 2a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) ---------- OG: 129.10.1084 P_2c4/nmm UNI: 129.420 P4/nmm.1'_c[P4/nmm] BNS: 129.420 P_c4/nmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,1)' (4z|1/2,0,1)' (4z-1|0,1/2,1)' (2x|1/2,0,1)' (2y|0,1/2,1)' (2z|1/2,1/2,1)' (2xy|1/2,1/2,1)' (2-xy|0,0,1)' (-1|0,0,1)' (-4z|1/2,0,1)' (-4z-1|0,1/2,1)' (mx|1/2,0,1)' (my|0,1/2,1)' (mz|1/2,1/2,1)' (mxy|1/2,1/2,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1;my,-mx,-mz) (y,-x+1/2,z+1;-my,mx,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z+1;my,-mx,-mz) (-y,x+1/2,-z+1;-my,mx,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16j (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1;-mx,mx,0) (-x+1/2,x,z+1;-mx,-mx,0) (x,-x+1/2,z+1;mx,mx,0) (x+1/2,-x,-z+1;-mx,-mx,0) (-x,x+1/2,-z+1;mx,mx,0) (-x+1/2,-x+1/2,z+1;mx,-mx,0) (x+1/2,x+1/2,-z+1;mx,-mx,0) (-x,-x,-z+1;-mx,mx,0) 16i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,mx,0) (y,1/4,z;0,-mx,0) (3/4,-y,-z;mx,0,0) (-1/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,mx,0) (-y,-1/4,-z;0,-mx,0) (1/4,y,z+1;-mx,0,0) (-y+1/2,1/4,z+1;0,-mx,0) (y,1/4,z+1;0,mx,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y+1/2,-z+1;mx,0,0) (1/4,-y+1/2,z+1;mx,0,0) (y+1/2,3/4,-z+1;0,-mx,0) (-y,-1/4,-z+1;0,mx,0) 16h (x,-x,1/2;mx,mx,mz) (x+1/2,x,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (x+1/2,x,-1/2;mx,-mx,-mz) (-x,-x+1/2,-1/2;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x+1/2,x+1/2,-1/2;mx,mx,-mz) (x,-x,-1/2;-mx,-mx,-mz) (-x,x,-1/2;mx,mx,mz) (-x+1/2,-x,-1/2;-mx,mx,mz) (x,x+1/2,-1/2;mx,-mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,-1/2;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x,x,1/2;-mx,-mx,-mz) 16g (x,-x,0;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (x,-x,1;-mx,mx,0) (x+1/2,x,1;-mx,-mx,0) (-x,-x+1/2,1;mx,mx,0) (-x+1/2,x+1/2,1;mx,-mx,0) (-x,x,1;-mx,mx,0) (-x+1/2,-x,1;-mx,-mx,0) (x,x+1/2,1;mx,mx,0) (x+1/2,-x+1/2,1;mx,-mx,0) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (5/4,-1/4,-z;0,0,0) (-1/4,-3/4,-z;0,0,0) (3/4,1/4,z+1;0,0,0) (1/4,3/4,z+1;0,0,0) (5/4,-1/4,-z+1;0,0,0) (-1/4,-3/4,-z+1;0,0,0) 8e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) 8d (0,0,0;mx,-mx,0) (1/2,0,0;mx,mx,0) (0,1/2,0;-mx,-mx,0) (1/2,1/2,0;-mx,mx,0) (0,0,1;-mx,mx,0) (1/2,0,1;-mx,-mx,0) (0,1/2,1;mx,mx,0) (1/2,1/2,1;mx,-mx,0) 4c (1/4,1/4,z;0,0,0) (3/4,-1/4,-z;0,0,0) (1/4,1/4,z+1;0,0,0) (3/4,-1/4,-z+1;0,0,0) 4b (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (5/4,-1/4,-1/2;0,0,0) (-1/4,-3/4,-1/2;0,0,0) 4a (3/4,1/4,0;0,0,0) (5/4,-1/4,0;0,0,0) (3/4,1/4,1;0,0,0) (5/4,-1/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,1/2)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16j (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1/2;-mx,mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) 16i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,mx,0) (y,1/4,z;0,-mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,mx,0) (-y,3/4,-z;0,-mx,0) (1/4,y,z+1/2;-mx,0,0) (-y+1/2,1/4,z+1/2;0,-mx,0) (y,1/4,z+1/2;0,mx,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) (y+1/2,3/4,-z+1/2;0,-mx,0) (-y,3/4,-z+1/2;0,mx,0) 16h (x,-x,1/4;mx,mx,mz) (x+1/2,x,1/4;-mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,mz) (x+1/2,x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,x+1/2,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x,x+1/2,3/4;mx,-mx,mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (x,x+1/2,1/4;-mx,mx,-mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x+1/2,1/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) 16g (x,-x,0;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (x,-x,1/2;-mx,mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 8e (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) 8d (0,0,0;mx,-mx,0) (1/2,0,0;mx,mx,0) (0,1/2,0;-mx,-mx,0) (1/2,1/2,0;-mx,mx,0) (0,0,1/2;-mx,mx,0) (1/2,0,1/2;-mx,-mx,0) (0,1/2,1/2;mx,mx,0) (1/2,1/2,1/2;mx,-mx,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4b (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) ---------- OG: 129.11.1085 P_2c4'/nm'm UNI: 138.528 P4_2/ncm.1'_c[P4/nmm] BNS: 138.528 P_c4_2/ncm OG-BNS transformation: (0,0,-1;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,1) (4z-1|0,1/2,1) (2x|1/2,0,1) (2y|0,1/2,1) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1) (-4z-1|0,1/2,1) (mx|1/2,0,1) (my|0,1/2,1) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,1)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1)' (2xy|1/2,1/2,1)' (2-xy|0,0,1)' (-1|0,0,1)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1)' (mxy|1/2,1/2,1)' (m-xy|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32k (x,y,z;mx,my,mz) (-y+1/2,x,z+1;-my,mx,mz) (y,-x+1/2,z+1;my,-mx,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1;-my,mx,mz) (-y,x+1/2,-z+1;my,-mx,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y,x,z+1;my,mx,mz) 16j (x,x,z;mx,-mx,0) (-x+1/2,x,z+1;mx,mx,0) (x,-x+1/2,z+1;-mx,-mx,0) (x+1/2,-x,-z+1;mx,mx,0) (-x,x+1/2,-z+1;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1;-mx,mx,0) (-x+1/2,x,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1;mx,-mx,0) (x+1/2,x+1/2,-z+1;mx,-mx,0) (-x,-x,-z+1;-mx,mx,0) 16i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1;-my,0,mz) (y,1/4,z+1;my,0,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y+1/2,-z+1;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;my,0,-mz) (-y,-1/4,-z;-my,0,-mz) (-1/4,-y,-z;0,my,mz) (y+1/2,-1/4,-z+1;-my,0,mz) (-y,3/4,-z+1;my,0,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y+1/2,z+1;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) (-y+1/2,1/4,z;my,0,-mz) (y,1/4,z;-my,0,-mz) 16h (x,-x,1/2;mx,mx,mz) (x+1/2,x,3/2;-mx,mx,mz) (-x,-x+1/2,3/2;mx,-mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x+1/2,x+1/2,-1/2;mx,mx,-mz) (x,-x,-1/2;-mx,-mx,-mz) (-x,x,-1/2;mx,mx,mz) (-x+1/2,-x,1/2;-mx,mx,mz) (x,x+1/2,1/2;mx,-mx,mz) (-x+1/2,-x,3/2;mx,-mx,-mz) (x,x+1/2,3/2;-mx,mx,-mz) (x+1/2,-x+1/2,-1/2;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x,x,1/2;-mx,-mx,-mz) 16g (x,-x,0;mx,-mx,0) (x+1/2,x,1;mx,mx,0) (-x,-x+1/2,1;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,1;mx,mx,0) (x,x+1/2,1;-mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) (x,-x,1;-mx,mx,0) (x+1/2,x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (-x+1/2,x+1/2,1;mx,-mx,0) (-x,x,1;-mx,mx,0) (-x+1/2,-x,0;-mx,-mx,0) (x,x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,1;mx,-mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1;0,0,mz) (5/4,-1/4,-z+1;0,0,-mz) (-1/4,-3/4,-z;0,0,-mz) (-3/4,-1/4,-z;0,0,mz) (3/4,-3/4,-z+1;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,3/4,z;0,0,-mz) 8e (0,0,1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (0,0,-1/2;0,0,0) 8d (0,0,0;mx,-mx,0) (1/2,0,1;mx,mx,0) (0,1/2,1;-mx,-mx,0) (1/2,1/2,0;-mx,mx,0) (0,0,1;-mx,mx,0) (1/2,0,0;-mx,-mx,0) (0,1/2,0;mx,mx,0) (1/2,1/2,1;mx,-mx,0) 4c (1/4,1/4,z;0,0,0) (1/4,1/4,z+1;0,0,0) (3/4,-1/4,-z+1;0,0,0) (-1/4,-1/4,-z;0,0,0) 4b (3/4,1/4,1/2;0,0,mz) (1/4,3/4,3/2;0,0,mz) (5/4,-1/4,1/2;0,0,-mz) (-1/4,-3/4,-1/2;0,0,-mz) 4a (3/4,1/4,0;0,0,0) (5/4,-1/4,1;0,0,0) (-3/4,-1/4,0;0,0,0) (-1/4,1/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,1/2)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,1/2)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16j (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;mx,mx,0) (x,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x,x,z+1/2;-mx,mx,0) (-x+1/2,x,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) 16i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1/2;-my,0,mz) (y,1/4,z+1/2;my,0,mz) (3/4,-y,-z+1/2;0,-my,-mz) (3/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z;my,0,-mz) (-y,3/4,-z;-my,0,-mz) (3/4,-y,-z;0,my,mz) (y+1/2,3/4,-z+1/2;-my,0,mz) (-y,3/4,-z+1/2;my,0,mz) (1/4,y,z+1/2;0,-my,-mz) (1/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) (-y+1/2,1/4,z;my,0,-mz) (y,1/4,z;-my,0,-mz) 16h (x,-x,3/4;mx,mx,mz) (x+1/2,x,1/4;-mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,mz) (x+1/2,x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (-x+1/2,x+1/2,3/4;-mx,-mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,-mz) (x,-x,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x,x+1/2,3/4;mx,-mx,mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (x,x+1/2,1/4;-mx,mx,-mz) (x+1/2,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x,x,3/4;-mx,-mx,-mz) 16g (x,-x,1/2;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (x,-x,0;-mx,mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (-x,x,0;-mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) 8e (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,1/4;0,0,0) 8d (0,0,1/2;mx,-mx,0) (1/2,0,0;mx,mx,0) (0,1/2,0;-mx,-mx,0) (1/2,1/2,1/2;-mx,mx,0) (0,0,0;-mx,mx,0) (1/2,0,1/2;-mx,-mx,0) (0,1/2,1/2;mx,mx,0) (1/2,1/2,0;mx,-mx,0) 4c (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,-mz) 4a (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 129.12.1086 P_2c4'/nmm' UNI: 137.516 P4_2/nmc.1'_c[P4/nmm] BNS: 137.516 P_c4_2/nmc OG-BNS transformation: (0,0,-1;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,1) (4z-1|0,1/2,1) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1) (2-xy|0,0,1) (-1|0,0,0) (-4z|1/2,0,1) (-4z-1|0,1/2,1) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1) (m-xy|0,0,1) (1|0,0,1)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1)' (2y|0,1/2,1)' (2z|1/2,1/2,1)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,1)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1)' (my|0,1/2,1)' (mz|1/2,1/2,1)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32k (x,y,z;mx,my,mz) (-y+1/2,x,z+1;-my,mx,mz) (y,-x+1/2,z+1;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1;-my,mx,mz) (-y,x+1/2,-z+1;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1;-mx,my,mz) (-x,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1;-mx,my,mz) (x,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16j (x,x,z;mx,mx,mz) (-x+1/2,x,z+1;-mx,mx,mz) (x,-x+1/2,z+1;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,-z;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1;mx,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z+1;-mx,mx,mz) (-x,x+1/2,-z+1;mx,-mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1;0,mx,0) (y,1/4,z+1;0,-mx,0) (3/4,-y,-z;mx,0,0) (-1/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1;0,mx,0) (-y,-1/4,-z+1;0,-mx,0) (1/4,y,z+1;-mx,0,0) (-y+1/2,1/4,z;0,-mx,0) (y,1/4,z;0,mx,0) (3/4,-y,-z+1;-mx,0,0) (-1/4,y+1/2,-z+1;mx,0,0) (1/4,-y+1/2,z+1;mx,0,0) (y+1/2,3/4,-z;0,-mx,0) (-y,-1/4,-z;0,mx,0) 16h (x,-x,1/2;mx,-mx,0) (x+1/2,x,-1/2;mx,mx,0) (-x,-x+1/2,-1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,-1/2;mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,-1/2;-mx,mx,0) (x,-x,3/2;-mx,mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,3/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,3/2;-mx,-mx,0) (x,x+1/2,3/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 16g (x,-x,0;mx,mx,mz) (x+1/2,x,1;-mx,mx,mz) (-x,-x+1/2,1;mx,-mx,mz) (x+1/2,x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x+1/2,x+1/2,1;mx,mx,-mz) (x,-x,1;-mx,-mx,-mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,1;-mx,mx,mz) (x,x+1/2,1;mx,-mx,mz) (-x+1/2,-x,0;mx,-mx,-mz) (x,x+1/2,0;-mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (x+1/2,-x+1/2,1;mx,mx,-mz) (-x,x,1;-mx,-mx,-mz) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z+1;0,0,0) (5/4,-1/4,-z;0,0,0) (-1/4,-3/4,-z+1;0,0,0) (3/4,1/4,z+1;0,0,0) (1/4,3/4,z;0,0,0) (5/4,-1/4,-z+1;0,0,0) (-1/4,-3/4,-z;0,0,0) 8e (0,0,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8d (0,0,0;mx,mx,mz) (1/2,0,1;-mx,mx,mz) (0,1/2,1;mx,-mx,mz) (1/2,0,0;mx,-mx,-mz) (0,1/2,0;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) (1/2,1/2,1;mx,mx,-mz) (0,0,1;-mx,-mx,-mz) 4c (1/4,1/4,z;0,0,0) (1/4,1/4,z+1;0,0,0) (3/4,-1/4,-z;0,0,0) (-1/4,-1/4,-z+1;0,0,0) 4b (3/4,1/4,1/2;0,0,0) (5/4,-1/4,-1/2;0,0,0) (3/4,1/4,3/2;0,0,0) (5/4,-1/4,1/2;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1;0,0,0) (5/4,-1/4,0;0,0,0) (-1/4,-3/4,1;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,1/2)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16j (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,-z;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 16i (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1/2;0,mx,0) (y,1/4,z+1/2;0,-mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1/2;0,mx,0) (-y,3/4,-z+1/2;0,-mx,0) (1/4,y,z+1/2;-mx,0,0) (-y+1/2,1/4,z;0,-mx,0) (y,1/4,z;0,mx,0) (3/4,-y,-z+1/2;-mx,0,0) (3/4,y+1/2,-z+1/2;mx,0,0) (1/4,-y+1/2,z+1/2;mx,0,0) (y+1/2,3/4,-z;0,-mx,0) (-y,3/4,-z;0,mx,0) 16h (x,-x,3/4;mx,-mx,0) (x+1/2,x,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (x,-x,1/4;-mx,mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) 16g (x,-x,1/2;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x+1/2,x+1/2,0;mx,mx,-mz) (x,-x,0;-mx,-mx,-mz) (-x,x,1/2;mx,mx,mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,-x+1/2,0;mx,mx,-mz) (-x,x,0;-mx,-mx,-mz) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) 8e (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 8d (0,0,1/2;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (1/2,0,1/2;mx,-mx,-mz) (0,1/2,1/2;-mx,mx,-mz) (1/2,1/2,1/2;-mx,-mx,mz) (1/2,1/2,0;mx,mx,-mz) (0,0,0;-mx,-mx,-mz) 4c (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4a (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 129.13.1087 P_2c4/nm'm' UNI: 130.432 P4/ncc.1'_c[P4/nmm] BNS: 130.432 P_c4/ncc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1) (2y|0,1/2,1) (2z|1/2,1/2,0) (2xy|1/2,1/2,1) (2-xy|0,0,1) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1) (my|0,1/2,1) (mz|1/2,1/2,0) (mxy|1/2,1/2,1) (m-xy|0,0,1) (1|0,0,1)' (4z|1/2,0,1)' (4z-1|0,1/2,1)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,1)' (-4z|1/2,0,1)' (-4z-1|0,1/2,1)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 32k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1;mx,-my,-mz) (-x,y+1/2,-z+1;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1;mx,-my,-mz) (x,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1;my,-mx,-mz) (y,-x+1/2,z+1;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y+1/2,-x,-z+1;my,-mx,-mz) (-y,x+1/2,-z+1;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16j (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x+1/2,-x,-z+1;mx,-mx,-mz) (-x,x+1/2,-z+1;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1;mx,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x+1/2,x,z+1;mx,-mx,-mz) (x,-x+1/2,z+1;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1;mx,mx,-mz) (x,x,z+1;-mx,-mx,-mz) 16i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;-my,0,mz) (y,1/4,z;my,0,mz) (3/4,-y,-z+1;0,-my,-mz) (-1/4,y+1/2,-z+1;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1;my,0,-mz) (-y,-1/4,-z+1;-my,0,-mz) (-1/4,-y,-z;0,my,mz) (y+1/2,-1/4,-z;-my,0,mz) (-y,3/4,-z;my,0,mz) (1/4,y,z+1;0,-my,-mz) (1/4,-y+1/2,z+1;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) (-y+1/2,1/4,z+1;my,0,-mz) (y,1/4,z+1;-my,0,-mz) 16h (x,-x,1/2;mx,-mx,0) (x+1/2,x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,-1/2;mx,-mx,0) (-x+1/2,-x,3/2;mx,mx,0) (x,x+1/2,3/2;-mx,-mx,0) (x+1/2,-x+1/2,-1/2;-mx,mx,0) (x,-x,3/2;-mx,mx,0) (x+1/2,x,-1/2;-mx,-mx,0) (-x,-x+1/2,-1/2;mx,mx,0) (-x+1/2,x+1/2,3/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 16g (x,-x,0;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (x+1/2,x,1;mx,-mx,-mz) (-x,-x+1/2,1;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x+1/2,x+1/2,1;mx,mx,-mz) (x,-x,1;-mx,-mx,-mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (-x+1/2,-x,1;mx,-mx,-mz) (x,x+1/2,1;-mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (x+1/2,-x+1/2,1;mx,mx,-mz) (-x,x,1;-mx,-mx,-mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (5/4,-1/4,-z+1;0,0,-mz) (-1/4,-3/4,-z+1;0,0,-mz) (-3/4,-1/4,-z;0,0,mz) (3/4,-3/4,-z;0,0,mz) (-1/4,1/4,z+1;0,0,-mz) (1/4,3/4,z+1;0,0,-mz) 8e (0,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,-1/2;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 8d (0,0,0;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (1/2,0,1;mx,-mx,-mz) (0,1/2,1;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) (1/2,1/2,1;mx,mx,-mz) (0,0,1;-mx,-mx,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,-1/4,-z+1;0,0,-mz) (-1/4,-1/4,-z;0,0,mz) (1/4,1/4,z+1;0,0,-mz) 4b (3/4,1/4,1/2;0,0,0) (5/4,-1/4,1/2;0,0,0) (-3/4,-1/4,-1/2;0,0,0) (-1/4,1/4,3/2;0,0,0) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (5/4,-1/4,1;0,0,-mz) (-1/4,-3/4,1;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|0,0,1/2)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,1/2)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32k (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16j (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x+1/2,-x,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) 16i (1/4,y,z;0,my,mz) (-y+1/2,1/4,z;-my,0,mz) (y,1/4,z;my,0,mz) (3/4,-y,-z+1/2;0,-my,-mz) (3/4,y+1/2,-z+1/2;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1/2;my,0,-mz) (-y,3/4,-z+1/2;-my,0,-mz) (3/4,-y,-z;0,my,mz) (y+1/2,3/4,-z;-my,0,mz) (-y,3/4,-z;my,0,mz) (1/4,y,z+1/2;0,-my,-mz) (1/4,-y+1/2,z+1/2;0,my,-mz) (3/4,y+1/2,-z;0,-my,mz) (-y+1/2,1/4,z+1/2;my,0,-mz) (y,1/4,z+1/2;-my,0,-mz) 16h (x,-x,1/4;mx,-mx,0) (x+1/2,x,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (x,-x,3/4;-mx,mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) 16g (x,-x,0;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x+1/2,x+1/2,1/2;mx,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) (-x,x,1/2;-mx,-mx,-mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8e (0,0,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 8d (0,0,0;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (1/2,0,1/2;mx,-mx,-mz) (0,1/2,1/2;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) (1/2,1/2,1/2;mx,mx,-mz) (0,0,1/2;-mx,-mx,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) ---------- OG: 130.1.1088 P4/ncc UNI: 130.423 P4/ncc.1 BNS: 130.423 P4/ncc Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8d (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;my,mx,-mz) (0,0,1/2;-my,-mx,-mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) 4a (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 130.2.1089 P4/ncc1' UNI: 130.424 P4/ncc.1' BNS: 130.424 P4/ncc1' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 8f (x,-x,1/4;0,0,0) (x+1/2,x,1/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (-x+1/2,x+1/2,1/4;0,0,0) (-x,x,3/4;0,0,0) (-x+1/2,-x,3/4;0,0,0) (x,x+1/2,3/4;0,0,0) (x+1/2,-x+1/2,3/4;0,0,0) 8e (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) 8d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 130.3.1090 P4/n'cc UNI: 130.425 P4/n'cc BNS: 130.425 P4/n'cc Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,1/4;-mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,-mz) 8d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,3/4;0,0,-mz) ---------- OG: 130.4.1091 P4'/nc'c UNI: 130.426 P4'/nc'c BNS: 130.426 P4'/nc'c Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8d (0,0,0;mx,my,mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;my,mx,-mz) (0,0,1/2;-my,-mx,-mz) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 130.5.1092 P4'/ncc' UNI: 130.427 P4'/ncc' BNS: 130.427 P4'/ncc' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8d (0,0,0;mx,my,mz) (1/2,0,0;my,-mx,-mz) (0,1/2,0;-my,mx,-mz) (1/2,0,1/2;mx,-my,-mz) (0,1/2,1/2;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-my,-mx,mz) (0,0,1/2;my,mx,mz) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) ---------- OG: 130.6.1093 P4'/n'c'c UNI: 130.428 P4'/n'c'c BNS: 130.428 P4'/n'c'c Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x,x+1/2,3/4;mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) 8d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) (3/4,1/4,1/2;0,0,mz) 4a (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,3/4;0,0,mz) ---------- OG: 130.7.1094 P4/nc'c' UNI: 130.429 P4/nc'c' BNS: 130.429 P4/nc'c' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,1/4;-mx,mx,mz) (-x,-x+1/2,1/4;mx,-mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (-x+1/2,-x,3/4;-mx,mx,mz) (x,x+1/2,3/4;mx,-mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 8d (0,0,0;mx,my,mz) (1/2,0,0;-my,mx,mz) (0,1/2,0;my,-mx,mz) (1/2,0,1/2;-mx,my,mz) (0,1/2,1/2;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-my,-mx,mz) (0,0,1/2;my,mx,mz) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,mz) 4a (3/4,1/4,1/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) ---------- OG: 130.8.1095 P4'/n'cc' UNI: 130.430 P4'/n'cc' BNS: 130.430 P4'/n'cc' Operators: (1|0,0,0) (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z+1/2;0,0,mz) 8d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4c (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,-mz) (1/4,3/4,1/2;0,0,mz) (3/4,1/4,1/2;0,0,-mz) 4a (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 130.9.1096 P4/n'c'c' UNI: 130.431 P4/n'c'c' BNS: 130.431 P4/n'c'c' Operators: (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16g (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,1/4;mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;-mx,mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) 8e (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) 8d (0,0,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4c (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,z+1/2;0,0,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 131.1.1097 P4_2/mmc UNI: 131.435 P4_2/mmc.1 BNS: 131.435 P4_2/mmc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8q (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8p (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,mx,0) (y,1/2,z+1/2;0,-mx,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z+1/2;0,mx,0) (-y,1/2,-z+1/2;0,-mx,0) 8o (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,mx,0) (-y,0,-z+1/2;0,-mx,0) 8n (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 4m (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) 4l (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) 4k (x,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,1/2;0,0,0) 4j (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.2.1098 P4_2/mmc1' UNI: 131.436 P4_2/mmc.1' BNS: 131.436 P4_2/mmc1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z+1/2;0,0,0) (-y,x,-z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 8q (x,y,0;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) (y,x,1/2;0,0,0) (-y,-x,1/2;0,0,0) 8p (1/2,y,z;0,0,0) (-y,1/2,z+1/2;0,0,0) (y,1/2,z+1/2;0,0,0) (1/2,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) (y,1/2,-z+1/2;0,0,0) (-y,1/2,-z+1/2;0,0,0) 8o (0,y,z;0,0,0) (-y,0,z+1/2;0,0,0) (y,0,z+1/2;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y,0,-z+1/2;0,0,0) (-y,0,-z+1/2;0,0,0) 8n (x,x,1/4;0,0,0) (-x,x,3/4;0,0,0) (x,-x,3/4;0,0,0) (-x,-x,1/4;0,0,0) (-x,-x,3/4;0,0,0) (x,-x,1/4;0,0,0) (-x,x,1/4;0,0,0) (x,x,3/4;0,0,0) 4m (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) 4l (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) 4k (x,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,1/2;0,0,0) 4j (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.3.1099 P4_2/m'mc UNI: 131.437 P4_2/m'mc BNS: 131.437 P4_2/m'mc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8q (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8p (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,mx,0) (y,1/2,z+1/2;0,-mx,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z+1/2;0,-mx,0) (-y,1/2,-z+1/2;0,mx,0) 8o (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,-mx,0) (-y,0,-z+1/2;0,mx,0) 8n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 4m (x,1/2,0;0,my,0) (1/2,x,1/2;-my,0,0) (1/2,-x,1/2;my,0,0) (-x,1/2,0;0,-my,0) 4l (x,0,1/2;0,my,0) (0,x,0;-my,0,0) (0,-x,0;my,0,0) (-x,0,1/2;0,-my,0) 4k (x,1/2,1/2;0,my,0) (1/2,x,0;-my,0,0) (1/2,-x,0;my,0,0) (-x,1/2,1/2;0,-my,0) 4j (x,0,0;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (-x,0,0;0,-my,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.4.1100 P4_2'/mm'c UNI: 131.438 P4_2'/mm'c BNS: 131.438 P4_2'/mm'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8q (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 8p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;my,0,-mz) (y,1/2,z+1/2;-my,0,-mz) (1/2,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;my,0,-mz) (-y,1/2,-z+1/2;-my,0,-mz) 8o (0,y,z;0,my,mz) (-y,0,z+1/2;my,0,-mz) (y,0,z+1/2;-my,0,-mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) (y,0,-z+1/2;my,0,-mz) (-y,0,-z+1/2;-my,0,-mz) 8n (x,x,1/4;mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) (x,x,3/4;-mx,-mx,0) 4m (x,1/2,0;0,0,mz) (1/2,x,1/2;0,0,-mz) (1/2,-x,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) 4l (x,0,1/2;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) (-x,0,1/2;0,0,mz) 4k (x,1/2,1/2;0,0,mz) (1/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) (-x,1/2,1/2;0,0,mz) 4j (x,0,0;0,0,mz) (0,x,1/2;0,0,-mz) (0,-x,1/2;0,0,-mz) (-x,0,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 131.5.1101 P4_2'/mmc' UNI: 131.439 P4_2'/mmc' BNS: 131.439 P4_2'/mmc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8q (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8p (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,-mx,0) (y,1/2,z+1/2;0,mx,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z+1/2;0,-mx,0) (-y,1/2,-z+1/2;0,mx,0) 8o (0,y,z;mx,0,0) (-y,0,z+1/2;0,-mx,0) (y,0,z+1/2;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,-mx,0) (-y,0,-z+1/2;0,mx,0) 8n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (x,-x,3/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,1/4;-mx,-mx,-mz) (-x,x,1/4;mx,mx,-mz) (x,x,3/4;-mx,mx,mz) 4m (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) 4l (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) 4k (x,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,1/2;0,0,0) 4j (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.6.1102 P4_2'/m'm'c UNI: 131.440 P4_2'/m'm'c BNS: 131.440 P4_2'/m'm'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8q (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 8p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;my,0,-mz) (y,1/2,z+1/2;-my,0,-mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;-my,0,mz) (-y,1/2,-z+1/2;my,0,mz) 8o (0,y,z;0,my,mz) (-y,0,z+1/2;my,0,-mz) (y,0,z+1/2;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z+1/2;-my,0,mz) (-y,0,-z+1/2;my,0,mz) 8n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (x,-x,3/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,1/4;mx,mx,mz) (-x,x,1/4;-mx,-mx,mz) (x,x,3/4;mx,-mx,-mz) 4m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,-mx,0) (1/2,-x,1/2;0,mx,0) (-x,1/2,0;-mx,0,0) 4l (x,0,1/2;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,1/2;-mx,0,0) 4k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,1/2;-mx,0,0) 4j (x,0,0;mx,0,0) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;-mx,0,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.7.1103 P4_2/mm'c' UNI: 131.441 P4_2/mm'c' BNS: 131.441 P4_2/mm'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8q (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 8p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;-my,0,mz) (y,1/2,z+1/2;my,0,mz) (1/2,-y,-z;0,my,mz) (1/2,y,-z;0,-my,mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;-my,0,mz) (-y,1/2,-z+1/2;my,0,mz) 8o (0,y,z;0,my,mz) (-y,0,z+1/2;-my,0,mz) (y,0,z+1/2;my,0,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) (y,0,-z+1/2;-my,0,mz) (-y,0,-z+1/2;my,0,mz) 8n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,1/4;mx,mx,mz) (-x,x,1/4;-mx,-mx,mz) (x,x,3/4;-mx,mx,mz) 4m (x,1/2,0;0,0,mz) (1/2,x,1/2;0,0,mz) (1/2,-x,1/2;0,0,mz) (-x,1/2,0;0,0,mz) 4l (x,0,1/2;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (-x,0,1/2;0,0,mz) 4k (x,1/2,1/2;0,0,mz) (1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (-x,1/2,1/2;0,0,mz) 4j (x,0,0;0,0,mz) (0,x,1/2;0,0,mz) (0,-x,1/2;0,0,mz) (-x,0,0;0,0,mz) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2f (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2d (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) 2b (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 131.8.1104 P4_2'/m'mc' UNI: 131.442 P4_2'/m'mc' BNS: 131.442 P4_2'/m'mc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8q (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8p (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,-mx,0) (y,1/2,z+1/2;0,mx,0) (1/2,-y,-z;-mx,0,0) (1/2,y,-z;mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z+1/2;0,mx,0) (-y,1/2,-z+1/2;0,-mx,0) 8o (0,y,z;mx,0,0) (-y,0,z+1/2;0,-mx,0) (y,0,z+1/2;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,mx,0) (-y,0,-z+1/2;0,-mx,0) 8n (x,x,1/4;mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;mx,mx,0) 4m (x,1/2,0;0,my,0) (1/2,x,1/2;my,0,0) (1/2,-x,1/2;-my,0,0) (-x,1/2,0;0,-my,0) 4l (x,0,1/2;0,my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) (-x,0,1/2;0,-my,0) 4k (x,1/2,1/2;0,my,0) (1/2,x,0;my,0,0) (1/2,-x,0;-my,0,0) (-x,1/2,1/2;0,-my,0) 4j (x,0,0;0,my,0) (0,x,1/2;my,0,0) (0,-x,1/2;-my,0,0) (-x,0,0;0,-my,0) 4i (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.9.1105 P4_2/m'm'c' UNI: 131.443 P4_2/m'm'c' BNS: 131.443 P4_2/m'm'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8q (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 8p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;-my,0,mz) (y,1/2,z+1/2;my,0,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;my,0,-mz) (-y,1/2,-z+1/2;-my,0,-mz) 8o (0,y,z;0,my,mz) (-y,0,z+1/2;-my,0,mz) (y,0,z+1/2;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z+1/2;my,0,-mz) (-y,0,-z+1/2;-my,0,-mz) 8n (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,1/4;mx,-mx,0) (-x,x,1/4;-mx,mx,0) (x,x,3/4;mx,mx,0) 4m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) 4l (x,0,1/2;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,1/2;-mx,0,0) 4k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 4j (x,0,0;mx,0,0) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) 4i (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2f (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 2c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2b (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 131.10.1106 P_P4_2/mmc UNI: 132.457 P4_2/mcm.1'_C[rP4_2/mmc] BNS: 132.457 P_C4_2/mcm OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|1,0,0)' (2y|1,0,0)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' (-1|1,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mx|1,0,0)' (my|1,0,0)' (mz|1,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x+1,-y,-z;-mx,my,mz) (-x+1,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 16q (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1,y,0;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (x+1,-y,0;0,0,mz) (-x+1,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) (y+1,x,1/2;0,0,mz) (-y+1,-x,1/2;0,0,mz) 16p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;-my,0,mz) (y,-1/2,z+1/2;my,0,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;my,0,-mz) (-y,-1/2,-z+1/2;-my,0,-mz) (-1/2,-y,-z;0,my,mz) (y,-1/2,-z+1/2;-my,0,mz) (-y,1/2,-z+1/2;my,0,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) (-y,-1/2,z+1/2;my,0,-mz) (y,1/2,z+1/2;-my,0,-mz) 16o (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,mx,0) (-y,0,-z+1/2;0,-mx,0) (1,y,z;-mx,0,0) (-y+1,0,z+1/2;0,-mx,0) (y+1,0,z+1/2;0,mx,0) (1,-y,-z;-mx,0,0) (1,y,-z;mx,0,0) (1,-y,z;mx,0,0) (y+1,0,-z+1/2;0,-mx,0) (-y+1,0,-z+1/2;0,mx,0) 16n (x,x,1/4;mx,mx,0) (-x,x,-1/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,-1/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x+1,x,-1/4;mx,-mx,0) (x+1,-x,3/4;-mx,mx,0) (-x+1,-x,1/4;mx,mx,0) (-x+1,-x,-1/4;-mx,-mx,0) (x+1,-x,1/4;mx,-mx,0) (-x+1,x,1/4;-mx,mx,0) (x+1,x,3/4;mx,mx,0) 8m (x,1/2,0;0,0,mz) (-1/2,x,1/2;0,0,mz) (1/2,-x,1/2;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,1/2;0,0,-mz) (-1/2,-x,1/2;0,0,-mz) 8l (x,0,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,1/2;0,0,0) (x+1,0,1/2;0,0,0) (1,x,0;0,0,0) (1,-x,0;0,0,0) (-x+1,0,1/2;0,0,0) 8k (x,1/2,1/2;0,0,mz) (-1/2,x,1;0,0,mz) (1/2,-x,1;0,0,mz) (x,-1/2,-1/2;0,0,-mz) (-x,1/2,-1/2;0,0,-mz) (-x,-1/2,1/2;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) 8j (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) (x+1,0,0;0,0,0) (1,x,1/2;0,0,0) (1,-x,1/2;0,0,0) (-x+1,0,0;0,0,0) 8i (0,1/2,z;mx,0,0) (-1/2,0,z+1/2;0,mx,0) (1/2,0,z+1/2;0,-mx,0) (0,-1/2,-z;mx,0,0) (0,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z+1/2;0,mx,0) (-1/2,0,-z+1/2;0,-mx,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (-1/2,1/2,-z;0,0,-mz) (-1/2,-1/2,-z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) (1,0,-z;0,0,0) (1,0,-z+1/2;0,0,0) 4f (1/2,1/2,1/4;0,0,0) (-1/2,1/2,-1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) (1/2,-1/2,1/4;0,0,0) 4e (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4d (0,1/2,1/2;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4c (0,1/2,0;0,0,0) (-1/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,0;0,0,0) 4b (1/2,1/2,0;0,0,mz) (-1/2,1/2,1/2;0,0,mz) (-1/2,1/2,0;0,0,-mz) (-1/2,-1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|0,0,1/2) (2x|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mxy|0,0,0) (m-xy|0,0,0) (mz|0,0,0) (my|0,0,1/2) (mx|0,0,1/2) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (mz|1/2,1/2,0)' (my|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' Wyckoff positions (BNS): 32r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z+1/2;-mx,my,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) 16q (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) 16p (x,-x+1/2,z;mx,-mx,mz) (x+1/2,x,z+1/2;mx,mx,mz) (-x+1/2,-x,z+1/2;-mx,-mx,mz) (-x+1/2,x,-z;-mx,mx,-mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,z;-mx,mx,mz) (-x,-x+1/2,-z+1/2;-mx,-mx,-mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x,x+1/2,-z;mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x+1/2,x,-z+1/2;-mx,-mx,mz) (x+1/2,-x,z;-mx,mx,-mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,-z;-mx,mx,mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) 16o (x,-x,z;mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,z;-mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) (x,x,-z+1/2;mx,-mx,0) (x+1/2,-x+1/2,z;-mx,-mx,0) (x+1/2,x+1/2,z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) (-x+1/2,x+1/2,z;mx,mx,0) (-x+1/2,-x+1/2,-z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;-mx,mx,0) 16n (0,y,1/4;0,my,0) (-y,0,3/4;-my,0,0) (y,0,3/4;my,0,0) (0,-y,1/4;0,-my,0) (0,-y,3/4;0,my,0) (y,0,1/4;-my,0,0) (-y,0,1/4;my,0,0) (0,y,3/4;0,-my,0) (1/2,y+1/2,1/4;0,-my,0) (-y+1/2,1/2,3/4;my,0,0) (y+1/2,1/2,3/4;-my,0,0) (1/2,-y+1/2,1/4;0,my,0) (1/2,-y+1/2,3/4;0,-my,0) (y+1/2,1/2,1/4;my,0,0) (-y+1/2,1/2,1/4;-my,0,0) (1/2,y+1/2,3/4;0,my,0) 8m (x,x+1/2,0;0,0,mz) (-x+1/2,x,1/2;0,0,mz) (x+1/2,-x,1/2;0,0,mz) (x+1/2,x,0;0,0,-mz) (-x+1/2,-x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (-x,x+1/2,1/2;0,0,-mz) (x,-x+1/2,1/2;0,0,-mz) 8l (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8k (x,x+1/2,1/2;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x+1/2,-x,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,mz) (-x,x+1/2,0;0,0,-mz) (x,-x+1/2,0;0,0,-mz) 8j (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,0;0,0,0) 8i (3/4,1/4,z;mx,mx,0) (3/4,3/4,z+1/2;-mx,mx,0) (1/4,1/4,z+1/2;mx,-mx,0) (1/4,3/4,-z;mx,mx,0) (3/4,1/4,-z;-mx,-mx,0) (1/4,3/4,z;-mx,-mx,0) (1/4,1/4,-z+1/2;-mx,mx,0) (3/4,3/4,-z+1/2;mx,-mx,0) 8h (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4f (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4d (3/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4c (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) 4b (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 131.11.1107 P_P4_2/m'mc UNI: 138.529 P4_2/ncm.1'_C[rP4_2/mmc] BNS: 138.529 P_C4_2/ncm OG-BNS transformation: (-1/2,1,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (-1|1,0,0) (-4z|1,0,1/2) (-4z-1|1,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' (mxy|1,0,1/2)' (m-xy|1,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z+1/2;-my,mx,mz) (-y+1,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1,-x,z+1/2;-my,-mx,mz) (y+1,x,z+1/2;my,mx,mz) 16q (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1,x,1/2;my,mx,0) (-y+1,-x,1/2;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y+1,-x,1/2;-my,mx,0) (-y+1,x,1/2;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16p (1/2,y,z;0,my,mz) (-y,1/2,z+1/2;-my,0,mz) (y,-1/2,z+1/2;my,0,mz) (3/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (y+1,1/2,-z+1/2;my,0,-mz) (-y+1,-1/2,-z+1/2;-my,0,-mz) (1/2,-y,-z;0,my,mz) (y+1,-1/2,-z+1/2;-my,0,mz) (-y+1,1/2,-z+1/2;my,0,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (3/2,y,-z;0,-my,mz) (-y,-1/2,z+1/2;my,0,-mz) (y,1/2,z+1/2;-my,0,-mz) 16o (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (1,-y,-z;mx,0,0) (1,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1,0,-z+1/2;0,mx,0) (-y+1,0,-z+1/2;0,-mx,0) (1,y,z;-mx,0,0) (-y+1,0,z+1/2;0,-mx,0) (y+1,0,z+1/2;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1,-y,z;mx,0,0) (y,0,-z+1/2;0,-mx,0) (-y,0,-z+1/2;0,mx,0) 16n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (x+1,-x,-1/4;mx,mx,-mz) (-x+1,x,-1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) (-x+1,-x,-1/4;mx,-mx,mz) (x+1,-x,1/4;mx,mx,mz) (-x+1,x,1/4;-mx,-mx,mz) (-x,x,1/4;mx,mx,-mz) (x,-x,1/4;-mx,-mx,-mz) (x+1,x,-1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 8m (x,1/2,0;mx,0,0) (3/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,-1/2,0;-mx,0,0) (-x+1,-1/2,0;mx,0,0) (-1/2,-x,1/2;0,mx,0) (1/2,x,1/2;0,-mx,0) (x+1,1/2,0;-mx,0,0) 8l (x,0,1/2;0,my,0) (0,x,1;-my,0,0) (0,-x,1;my,0,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (1,x,0;my,0,0) (1,-x,0;-my,0,0) 8k (x,1/2,1/2;mx,0,0) (3/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (-x+1,-1/2,-1/2;mx,0,0) (-1/2,-x,1;0,mx,0) (1/2,x,1;0,-mx,0) (x+1,1/2,-1/2;-mx,0,0) 8j (x,0,0;0,my,0) (0,x,1/2;-my,0,0) (0,-x,1/2;my,0,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) (1,x,1/2;my,0,0) (1,-x,1/2;-my,0,0) 8i (0,1/2,z;mx,0,0) (-1/2,0,z+1/2;0,mx,0) (1/2,0,z+1/2;0,-mx,0) (1,-1/2,-z;mx,0,0) (1,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (3/2,0,-z+1/2;0,mx,0) (1/2,0,-z+1/2;0,-mx,0) 8h (1/2,1/2,z;0,0,mz) (-1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (3/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,-z;0,0,0) (1,0,-z+1/2;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4f (1/2,1/2,1/4;0,0,mz) (-1/2,1/2,3/4;0,0,mz) (1/2,1/2,-1/4;0,0,-mz) (1/2,-1/2,1/4;0,0,-mz) 4e (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1,0,-1/4;0,0,0) (1,0,1/4;0,0,0) 4d (0,1/2,1/2;mx,0,0) (3/2,0,0;0,mx,0) (1/2,0,0;0,-mx,0) (0,-1/2,1/2;-mx,0,0) 4c (0,1/2,0;mx,0,0) (3/2,0,1/2;0,mx,0) (1/2,0,1/2;0,-mx,0) (0,-1/2,0;-mx,0,0) 4b (1/2,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2z|1/2,1/2,0) (2y|0,1/2,1/2) (2x|1/2,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mxy|1/2,1/2,0) (m-xy|0,0,0) (mz|1/2,1/2,0) (my|0,1/2,1/2) (mx|1/2,0,1/2) (1|1/2,1/2,0)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (2z|0,0,0)' (2y|1/2,0,1/2)' (2x|0,1/2,1/2)' (-1|1/2,1/2,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' (mz|0,0,0)' (my|1/2,0,1/2)' (mx|0,1/2,1/2)' Wyckoff positions (BNS): 32r (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x,y,-z;mx,my,-mz) (x+1/2,-y,z+1/2;mx,-my,mz) (-x,y+1/2,z+1/2;-mx,my,mz) 16q (x,y,1/2;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,y+1/2,0;-mx,my,0) (x+1/2,-y,0;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x,-y+1/2,0;-mx,my,0) (-x+1/2,y,0;mx,-my,0) 16p (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (-x+1/2,x+1/2,-z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,-x+1/2,-z+1/2;-mx,-mx,-mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x,x+1/2,-z+1/2;-mx,-mx,mz) (x+1/2,-x+1/2,z;-mx,mx,-mz) (-x,x,z;mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,x+1/2,z+1/2;-mx,-mx,-mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) 16o (x,-x+1/2,z;mx,mx,0) (x,x,z+1/2;-mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (-x,-x,-z+1/2;-mx,mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,x+1/2,z+1/2;mx,-mx,0) (-x,-x,z+1/2;-mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (x,-x+1/2,-z;mx,mx,0) (-x,x+1/2,z;mx,mx,0) (-x+1/2,-x+1/2,-z+1/2;mx,-mx,0) (x,x,-z+1/2;-mx,mx,0) 16n (3/4,y,3/4;mx,0,mz) (-y+1/2,3/4,1/4;0,mx,mz) (y,3/4,1/4;0,-mx,mz) (y+1/2,1/4,1/4;0,mx,-mz) (-y,1/4,1/4;0,-mx,-mz) (3/4,-y+1/2,3/4;-mx,0,mz) (1/4,y+1/2,3/4;-mx,0,-mz) (1/4,-y,3/4;mx,0,-mz) (1/4,-y,1/4;mx,0,mz) (y+1/2,1/4,3/4;0,mx,mz) (-y,1/4,3/4;0,-mx,mz) (-y+1/2,3/4,3/4;0,mx,-mz) (y,3/4,3/4;0,-mx,-mz) (1/4,y+1/2,1/4;-mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,-mz) (3/4,y,1/4;mx,0,-mz) 8m (x,x+1/2,1/2;mx,mx,0) (-x,x,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) 8l (x,x,0;mx,-mx,0) (-x+1/2,x,1/2;mx,mx,0) (x,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x+1/2,0;-mx,mx,0) (-x,-x,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,mx,0) (-x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1/2;mx,mx,0) 8k (x,x+1/2,0;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) 8j (x,x,1/2;mx,-mx,0) (-x+1/2,x,0;mx,mx,0) (x,-x+1/2,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,mx,0) (-x,-x,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,x+1/2,0;-mx,-mx,0) (x+1/2,-x,0;mx,mx,0) 8i (1/2,0,z;mx,mx,0) (1/2,1/2,z+1/2;-mx,mx,0) (0,0,z+1/2;mx,-mx,0) (1/2,0,-z;mx,mx,0) (0,1/2,-z;-mx,-mx,0) (0,1/2,z;-mx,-mx,0) (1/2,1/2,-z+1/2;-mx,mx,0) (0,0,-z+1/2;mx,-mx,0) 8h (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4f (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,-mz) 4e (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (1/2,0,0;mx,mx,0) (1/2,1/2,1/2;-mx,mx,0) (0,0,1/2;mx,-mx,0) (0,1/2,0;-mx,-mx,0) 4c (1/2,0,1/2;mx,mx,0) (1/2,1/2,0;-mx,mx,0) (0,0,0;mx,-mx,0) (0,1/2,1/2;-mx,-mx,0) 4b (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) 4a (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) ---------- OG: 131.12.1108 P_P4_2/mm'c' UNI: 136.505 P4_2/mnm.1'_C[rP4_2/mmc] BNS: 136.505 P_C4_2/mnm OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (2xy|1,0,1/2) (2-xy|1,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1,0,0) (my|1,0,0) (mz|0,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|1,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32r (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z+1/2;my,mx,-mz) (-y+1,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1,y,z;mx,-my,-mz) (x+1,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16q (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1,-y,0;0,0,-mz) (-x+1,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1,x,1/2;0,0,-mz) (-y+1,-x,1/2;0,0,-mz) (x+1,y,0;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1,-y,0;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16p (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,mx,0) (y,-1/2,z+1/2;0,-mx,0) (3/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (-1/2,-y,z;-mx,0,0) (y+1,1/2,-z+1/2;0,mx,0) (-y+1,-1/2,-z+1/2;0,-mx,0) (3/2,y,z;-mx,0,0) (-y+1,1/2,z+1/2;0,-mx,0) (y+1,-1/2,z+1/2;0,mx,0) (1/2,-y,-z;-mx,0,0) (-1/2,y,-z;mx,0,0) (1/2,-y,z;mx,0,0) (y,1/2,-z+1/2;0,-mx,0) (-y,-1/2,-z+1/2;0,mx,0) 16o (0,y,z;0,my,mz) (-y,0,z+1/2;-my,0,mz) (y,0,z+1/2;my,0,mz) (1,-y,-z;0,-my,-mz) (1,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1,0,-z+1/2;my,0,-mz) (-y+1,0,-z+1/2;-my,0,-mz) (0,-y,-z;0,my,mz) (y,0,-z+1/2;-my,0,mz) (-y,0,-z+1/2;my,0,mz) (1,y,z;0,-my,-mz) (1,-y,z;0,my,-mz) (0,y,-z;0,-my,mz) (-y+1,0,z+1/2;my,0,-mz) (y+1,0,z+1/2;-my,0,-mz) 16n (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (x+1,-x,-1/4;mx,mx,-mz) (-x+1,x,-1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1,x,1/4;-mx,mx,-mz) (-x+1,-x,1/4;mx,-mx,-mz) (-x,-x,-1/4;mx,-mx,mz) (x,-x,1/4;mx,mx,mz) (-x,x,1/4;-mx,-mx,mz) (-x+1,x,1/4;mx,mx,-mz) (x+1,-x,1/4;-mx,-mx,-mz) (x,x,-1/4;-mx,mx,mz) (-x+1,-x,3/4;-mx,mx,-mz) (x+1,x,3/4;mx,-mx,-mz) 8m (x,1/2,0;0,0,0) (3/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,-1/2,0;0,0,0) (x+1,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (-1/2,-x,1/2;0,0,0) (-x+1,-1/2,0;0,0,0) 8l (x,0,1/2;0,0,mz) (0,x,1;0,0,mz) (0,-x,1;0,0,mz) (x+1,0,-1/2;0,0,-mz) (-x+1,0,-1/2;0,0,-mz) (-x,0,1/2;0,0,mz) (1,x,0;0,0,-mz) (1,-x,0;0,0,-mz) 8k (x,1/2,1/2;0,0,0) (3/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,-1/2,1/2;0,0,0) (x+1,1/2,1/2;0,0,0) (1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x+1,-1/2,1/2;0,0,0) 8j (x,0,0;0,0,mz) (0,x,1/2;0,0,mz) (0,-x,1/2;0,0,mz) (x+1,0,0;0,0,-mz) (-x+1,0,0;0,0,-mz) (-x,0,0;0,0,mz) (1,x,1/2;0,0,-mz) (1,-x,1/2;0,0,-mz) 8i (0,1/2,z;0,my,0) (-1/2,0,z+1/2;-my,0,0) (1/2,0,z+1/2;my,0,0) (1,-1/2,-z;0,-my,0) (1,1/2,-z;0,my,0) (0,-1/2,z;0,-my,0) (3/2,0,-z+1/2;my,0,0) (1/2,0,-z+1/2;-my,0,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,-1/2,-z+1/2;0,0,0) (3/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (-1/2,1/2,-z;0,0,0) (-1/2,-1/2,-z+1/2;0,0,0) 8g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1,0,-z;0,0,-mz) (1,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1,0,z;0,0,-mz) (1,0,z+1/2;0,0,-mz) 4f (1/2,1/2,1/4;0,0,0) (-1/2,1/2,3/4;0,0,0) (1/2,1/2,-1/4;0,0,0) (1/2,-1/2,1/4;0,0,0) 4e (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1,0,-1/4;0,0,-mz) (1,0,1/4;0,0,-mz) 4d (0,1/2,1/2;0,0,0) (3/2,0,0;0,0,0) (1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) 4c (0,1/2,0;0,0,0) (3/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,0;0,0,0) 4b (1/2,1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) (3/2,1/2,0;0,0,0) (-1/2,-1/2,1/2;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1,0,0;0,0,-mz) (1,0,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2xy|0,0,0) (2-xy|0,0,0) (2z|0,0,0) (2y|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (mz|0,0,0) (my|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (1|1/2,1/2,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (2z|1/2,1/2,0)' (2y|0,0,1/2)' (2x|0,0,1/2)' (-1|1/2,1/2,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' (mz|1/2,1/2,0)' (my|0,0,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): 32r (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z+1/2;mx,-my,mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x,-y,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 16q (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (-x,-y,0;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x,y,1/2;0,0,mz) (x,-y,1/2;0,0,mz) 16p (x,-x,z;mx,mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,z;-mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (x+1/2,-x+1/2,z;-mx,-mx,0) (x,x,z+1/2;mx,-mx,0) (-x,-x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) (-x+1/2,x+1/2,z;mx,mx,0) (-x,-x,-z+1/2;mx,-mx,0) (x,x,-z+1/2;-mx,mx,0) 16o (x,-x+1/2,z;mx,-mx,mz) (x,x+1/2,z+1/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (-x+1/2,x,-z;-mx,mx,-mz) (x+1/2,-x,-z;mx,-mx,-mz) (-x,x+1/2,z;-mx,mx,mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x,x+1/2,-z;mx,-mx,mz) (-x,-x+1/2,-z+1/2;mx,mx,mz) (x,x+1/2,-z+1/2;-mx,-mx,mz) (x+1/2,-x,z;-mx,mx,-mz) (-x+1/2,x,z;mx,-mx,-mz) (x,-x+1/2,-z;-mx,mx,mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) 16n (0,y,1/4;mx,0,mz) (-y+1/2,1/2,3/4;0,mx,mz) (y+1/2,1/2,3/4;0,-mx,mz) (y,0,3/4;0,mx,-mz) (-y,0,3/4;0,-mx,-mz) (0,-y,1/4;-mx,0,mz) (1/2,y+1/2,1/4;-mx,0,-mz) (1/2,-y+1/2,1/4;mx,0,-mz) (0,-y,3/4;mx,0,mz) (y+1/2,1/2,1/4;0,mx,mz) (-y+1/2,1/2,1/4;0,-mx,mz) (-y,0,1/4;0,mx,-mz) (y,0,1/4;0,-mx,-mz) (0,y,3/4;-mx,0,mz) (1/2,-y+1/2,3/4;-mx,0,-mz) (1/2,y+1/2,3/4;mx,0,-mz) 8m (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x+1/2,-x+1/2,0;0,0,0) 8l (x,x+1/2,1/2;0,0,mz) (-x,x+1/2,0;0,0,mz) (x,-x+1/2,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x+1/2,-x,1/2;0,0,-mz) (-x,-x+1/2,1/2;0,0,mz) (-x+1/2,x,0;0,0,-mz) (x+1/2,-x,0;0,0,-mz) 8k (x,x,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x,-x,1/2;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8j (x,x+1/2,0;0,0,mz) (-x,x+1/2,1/2;0,0,mz) (x,-x+1/2,1/2;0,0,mz) (x+1/2,x,0;0,0,-mz) (-x+1/2,-x,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (-x+1/2,x,1/2;0,0,-mz) (x+1/2,-x,1/2;0,0,-mz) 8i (3/4,3/4,z;mx,-mx,0) (3/4,1/4,z+1/2;mx,mx,0) (1/4,3/4,z+1/2;-mx,-mx,0) (3/4,3/4,-z;-mx,mx,0) (1/4,1/4,-z;mx,-mx,0) (1/4,1/4,z;-mx,mx,0) (3/4,1/4,-z+1/2;-mx,-mx,0) (1/4,3/4,-z+1/2;mx,mx,0) 8h (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,-z+1/2;0,0,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 4f (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4e (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (1/2,0,1/4;0,0,-mz) 4d (3/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (3/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) 4b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4a (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (1/2,0,1/2;0,0,-mz) ---------- OG: 131.13.1109 P_P4_2'/m'mc' UNI: 134.481 P4_2/nnm.1'_C[rP4_2/mmc] BNS: 134.481 P_C4_2/nnm OG-BNS transformation: (-1,1/2,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2x|1,0,0) (2y|1,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|1,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|1,0,0) (mxy|1,0,1/2) (m-xy|1,0,1/2) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1,0,0)' (2xy|1,0,1/2)' (2-xy|1,0,1/2)' (-1|0,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mx|1,0,0)' (my|1,0,0)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32r (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (x+1,-y,-z;mx,-my,-mz) (-x+1,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y+1,-x,z+1/2;my,mx,-mz) (y+1,x,z+1/2;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z+1/2;-my,-mx,mz) (-y+1,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (-x+1,y,z;-mx,my,mz) (x+1,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16q (x,y,0;mx,my,0) (-y+1,x,1/2;-my,mx,0) (y+1,-x,1/2;my,-mx,0) (x+1,-y,0;mx,-my,0) (-x+1,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y+1,-x,1/2;my,mx,0) (y+1,x,1/2;-my,-mx,0) 16p (1/2,y,z;0,my,mz) (-y+1,1/2,z+1/2;-my,0,mz) (y+1,-1/2,z+1/2;my,0,mz) (3/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (y,1/2,-z+1/2;my,0,-mz) (-y,-1/2,-z+1/2;-my,0,-mz) (1/2,-y,-z;0,my,mz) (y,-1/2,-z+1/2;-my,0,mz) (-y,1/2,-z+1/2;my,0,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (3/2,y,-z;0,-my,mz) (-y+1,-1/2,z+1/2;my,0,-mz) (y+1,1/2,z+1/2;-my,0,-mz) 16o (0,y,z;mx,0,0) (-y+1,0,z+1/2;0,mx,0) (y+1,0,z+1/2;0,-mx,0) (1,-y,-z;mx,0,0) (1,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z+1/2;0,mx,0) (-y,0,-z+1/2;0,-mx,0) (1,y,z;-mx,0,0) (-y,0,z+1/2;0,-mx,0) (y,0,z+1/2;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1,-y,z;mx,0,0) (y+1,0,-z+1/2;0,-mx,0) (-y+1,0,-z+1/2;0,mx,0) 16n (x,x,1/4;mx,mx,0) (-x+1,x,-1/4;-mx,mx,0) (x+1,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x+1,-x,-1/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x+1,x,3/4;-mx,-mx,0) (x+1,x,1/4;-mx,-mx,0) (-x,x,-1/4;mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x+1,-x,1/4;mx,mx,0) (-x,-x,-1/4;-mx,-mx,0) (x+1,-x,1/4;mx,-mx,0) (-x+1,x,1/4;-mx,mx,0) (x,x,3/4;mx,mx,0) 8m (x,1/2,0;mx,0,0) (1/2,x,1/2;0,mx,0) (-1/2,-x,1/2;0,-mx,0) (-x,-1/2,0;-mx,0,0) (-x+1,-1/2,0;mx,0,0) (1/2,-x,1/2;0,mx,0) (3/2,x,1/2;0,-mx,0) (x+1,1/2,0;-mx,0,0) 8l (x,0,1/2;0,my,0) (1,x,1;-my,0,0) (1,-x,1;my,0,0) (x+1,0,-1/2;0,-my,0) (-x+1,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) 8k (x,1/2,1/2;mx,0,0) (1/2,x,0;0,mx,0) (-1/2,-x,0;0,-mx,0) (-x,-1/2,1/2;-mx,0,0) (-x+1,-1/2,-1/2;mx,0,0) (1/2,-x,1;0,mx,0) (3/2,x,1;0,-mx,0) (x+1,1/2,-1/2;-mx,0,0) 8j (x,0,0;0,my,0) (1,x,1/2;-my,0,0) (1,-x,1/2;my,0,0) (x+1,0,0;0,-my,0) (-x+1,0,0;0,my,0) (-x,0,0;0,-my,0) (0,x,1/2;my,0,0) (0,-x,1/2;-my,0,0) 8i (0,1/2,z;mx,0,0) (1/2,0,z+1/2;0,mx,0) (3/2,0,z+1/2;0,-mx,0) (1,-1/2,-z;mx,0,0) (1,1/2,-z;-mx,0,0) (0,-1/2,z;-mx,0,0) (1/2,0,-z+1/2;0,mx,0) (-1/2,0,-z+1/2;0,-mx,0) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (-1/2,-1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,z;0,0,-mz) (3/2,1/2,z+1/2;0,0,-mz) 8g (0,0,z;0,0,0) (1,0,z+1/2;0,0,0) (1,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (1,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (1,0,-z+1/2;0,0,0) 4f (1/2,1/2,1/4;0,0,0) (1/2,1/2,-1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (1/2,-1/2,1/4;0,0,0) 4e (0,0,1/4;0,0,0) (1,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (0,0,-1/4;0,0,0) 4d (0,1/2,1/2;mx,0,0) (1/2,0,0;0,mx,0) (-1/2,0,0;0,-mx,0) (0,-1/2,1/2;-mx,0,0) 4c (0,1/2,0;mx,0,0) (1/2,0,1/2;0,mx,0) (-1/2,0,1/2;0,-mx,0) (0,-1/2,0;-mx,0,0) 4b (1/2,1/2,0;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (3/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2xy|0,0,0) (2-xy|1/2,1/2,0) (2z|1/2,1/2,0) (2y|1/2,0,1/2) (2x|0,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mxy|0,0,0) (m-xy|1/2,1/2,0) (mz|1/2,1/2,0) (my|1/2,0,1/2) (mx|0,1/2,1/2) (1|1/2,1/2,0)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2z|0,0,0)' (2y|0,1/2,1/2)' (2x|1/2,0,1/2)' (-1|1/2,1/2,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (mz|0,0,0)' (my|0,1/2,1/2)' (mx|1/2,0,1/2)' Wyckoff positions (BNS): 32r (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,y,-z;mx,my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x+1/2,y,z+1/2;-mx,my,mz) 16q (x,y,1/2;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y,x,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x+1/2,y,0;-mx,my,0) (x,-y+1/2,0;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y,-x,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x+1/2,-y,0;-mx,my,0) (-x,y+1/2,0;mx,-my,0) 16p (x,-x+1/2,z;mx,-mx,mz) (x,x,z+1/2;mx,mx,mz) (-x+1/2,-x+1/2,z+1/2;-mx,-mx,mz) (-x+1/2,x,-z;-mx,mx,-mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x+1/2,x,z;-mx,mx,mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (x,x,-z+1/2;mx,mx,-mz) (-x,x+1/2,-z;mx,-mx,mz) (-x,-x,-z+1/2;mx,mx,mz) (x+1/2,x+1/2,-z+1/2;-mx,-mx,mz) (x+1/2,-x,z;-mx,mx,-mz) (-x,x+1/2,z;mx,-mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) 16o (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (x+1/2,-x+1/2,z;-mx,-mx,0) (x,x+1/2,z+1/2;mx,-mx,0) (-x+1/2,-x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,z;mx,mx,0) (-x,-x+1/2,-z+1/2;mx,-mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) 16n (3/4,y,3/4;0,my,0) (-y+1/2,3/4,1/4;-my,0,0) (y,3/4,1/4;my,0,0) (3/4,-y+1/2,3/4;0,-my,0) (1/4,-y,1/4;0,my,0) (y+1/2,1/4,3/4;-my,0,0) (-y,1/4,3/4;my,0,0) (1/4,y+1/2,1/4;0,-my,0) (1/4,y+1/2,3/4;0,-my,0) (-y,1/4,1/4;my,0,0) (y+1/2,1/4,1/4;-my,0,0) (1/4,-y,3/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (y,3/4,3/4;my,0,0) (-y+1/2,3/4,3/4;-my,0,0) (3/4,y,1/4;0,my,0) 8m (x,x,1/2;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8l (x,x+1/2,0;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,-mx,0) (x+1/2,x,0;-mx,mx,0) (-x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x,0;-mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,-mx,0) (x,-x,1/2;mx,mx,0) 8k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 8j (x,x+1/2,1/2;mx,-mx,0) (-x,x,0;mx,mx,0) (x+1/2,-x+1/2,0;-mx,-mx,0) (x+1/2,x,1/2;-mx,mx,0) (-x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x,1/2;-mx,mx,0) (-x+1/2,x+1/2,0;-mx,-mx,0) (x,-x,0;mx,mx,0) 8i (1/2,1/2,z;mx,mx,0) (0,1/2,z+1/2;-mx,mx,0) (1/2,0,z+1/2;mx,-mx,0) (1/2,1/2,-z;mx,mx,0) (0,0,-z;-mx,-mx,0) (0,0,z;-mx,-mx,0) (0,1/2,-z+1/2;-mx,mx,0) (1/2,0,-z+1/2;mx,-mx,0) 8h (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) 8g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) 4f (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4e (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4d (1/2,1/2,0;mx,mx,0) (0,1/2,1/2;-mx,mx,0) (1/2,0,1/2;mx,-mx,0) (0,0,0;-mx,-mx,0) 4c (1/2,1/2,1/2;mx,mx,0) (0,1/2,0;-mx,mx,0) (1/2,0,0;mx,-mx,0) (0,0,1/2;-mx,-mx,0) 4b (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) 4a (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 132.1.1110 P4_2/mcm UNI: 132.447 P4_2/mcm.1 BNS: 132.447 P4_2/mcm Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8o (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8n (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 8m (x,1/2,1/4;mx,0,0) (1/2,x,3/4;0,mx,0) (1/2,-x,3/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,1/4;0,mx,0) (1/2,x,1/4;0,-mx,0) (x,1/2,3/4;-mx,0,0) 8l (x,0,1/4;mx,0,0) (0,x,3/4;0,mx,0) (0,-x,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x,0,3/4;-mx,0,0) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 4j (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) 4i (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.2.1111 P4_2/mcm1' UNI: 132.448 P4_2/mcm.1' BNS: 132.448 P4_2/mcm1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z+1/2;0,0,0) (-y,x,-z+1/2;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 8o (x,x,z;0,0,0) (-x,x,z+1/2;0,0,0) (x,-x,z+1/2;0,0,0) (x,-x,-z+1/2;0,0,0) (-x,x,-z+1/2;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) 8n (x,y,0;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) (y,x,0;0,0,0) (-y,-x,0;0,0,0) 8m (x,1/2,1/4;0,0,0) (1/2,x,3/4;0,0,0) (1/2,-x,3/4;0,0,0) (-x,1/2,1/4;0,0,0) (-x,1/2,3/4;0,0,0) (1/2,-x,1/4;0,0,0) (1/2,x,1/4;0,0,0) (x,1/2,3/4;0,0,0) 8l (x,0,1/4;0,0,0) (0,x,3/4;0,0,0) (0,-x,3/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (0,-x,1/4;0,0,0) (0,x,1/4;0,0,0) (x,0,3/4;0,0,0) 8k (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,z;0,0,0) 4j (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) 4i (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.3.1112 P4_2/m'cm UNI: 132.449 P4_2/m'cm BNS: 132.449 P4_2/m'cm Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8o (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8n (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 8m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;-my,0,mz) (1/2,-x,3/4;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (1/2,-x,1/4;my,0,-mz) (1/2,x,1/4;-my,0,-mz) (x,1/2,3/4;0,my,-mz) 8l (x,0,1/4;0,my,mz) (0,x,3/4;-my,0,mz) (0,-x,3/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,1/4;my,0,-mz) (0,x,1/4;-my,0,-mz) (x,0,3/4;0,my,-mz) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 4j (x,x,1/2;mx,-mx,0) (-x,x,0;mx,mx,0) (x,-x,0;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) 4i (x,x,0;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (-x,-x,0;-mx,mx,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.4.1113 P4_2'/mc'm UNI: 132.450 P4_2'/mc'm BNS: 132.450 P4_2'/mc'm Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8o (x,x,z;mx,-mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8n (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 8m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;my,0,-mz) (1/2,-x,3/4;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (1/2,-x,1/4;my,0,-mz) (1/2,x,1/4;-my,0,-mz) (x,1/2,3/4;0,-my,mz) 8l (x,0,1/4;0,my,mz) (0,x,3/4;my,0,-mz) (0,-x,3/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,1/4;my,0,-mz) (0,x,1/4;-my,0,-mz) (x,0,3/4;0,-my,mz) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 4j (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) 4i (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 4e (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.5.1114 P4_2'/mcm' UNI: 132.451 P4_2'/mcm' BNS: 132.451 P4_2'/mcm' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8o (x,x,z;mx,mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8n (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8m (x,1/2,1/4;mx,0,0) (1/2,x,3/4;0,-mx,0) (1/2,-x,3/4;0,mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;mx,0,0) (1/2,-x,1/4;0,-mx,0) (1/2,x,1/4;0,mx,0) (x,1/2,3/4;-mx,0,0) 8l (x,0,1/4;mx,0,0) (0,x,3/4;0,-mx,0) (0,-x,3/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,1/4;0,-mx,0) (0,x,1/4;0,mx,0) (x,0,3/4;-mx,0,0) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4j (x,x,1/2;0,0,mz) (-x,x,0;0,0,-mz) (x,-x,0;0,0,-mz) (-x,-x,1/2;0,0,mz) 4i (x,x,0;0,0,mz) (-x,x,1/2;0,0,-mz) (x,-x,1/2;0,0,-mz) (-x,-x,0;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4f (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 132.6.1115 P4_2'/m'c'm UNI: 132.452 P4_2'/m'c'm BNS: 132.452 P4_2'/m'c'm Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8o (x,x,z;mx,-mx,0) (-x,x,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (x,-x,-z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8n (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 8m (x,1/2,1/4;mx,0,0) (1/2,x,3/4;0,-mx,0) (1/2,-x,3/4;0,mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (1/2,-x,1/4;0,mx,0) (1/2,x,1/4;0,-mx,0) (x,1/2,3/4;mx,0,0) 8l (x,0,1/4;mx,0,0) (0,x,3/4;0,-mx,0) (0,-x,3/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x,0,3/4;mx,0,0) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 4j (x,x,1/2;mx,-mx,0) (-x,x,0;-mx,-mx,0) (x,-x,0;mx,mx,0) (-x,-x,1/2;-mx,mx,0) 4i (x,x,0;mx,-mx,0) (-x,x,1/2;-mx,-mx,0) (x,-x,1/2;mx,mx,0) (-x,-x,0;-mx,mx,0) 4h (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 4g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.7.1116 P4_2/mc'm' UNI: 132.453 P4_2/mc'm' BNS: 132.453 P4_2/mc'm' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8o (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (-x,x,-z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8n (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;-my,0,mz) (1/2,-x,3/4;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,my,mz) (1/2,-x,1/4;-my,0,mz) (1/2,x,1/4;my,0,mz) (x,1/2,3/4;0,-my,mz) 8l (x,0,1/4;0,my,mz) (0,x,3/4;-my,0,mz) (0,-x,3/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,1/4;-my,0,mz) (0,x,1/4;my,0,mz) (x,0,3/4;0,-my,mz) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 4j (x,x,1/2;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (-x,-x,1/2;0,0,mz) 4i (x,x,0;0,0,mz) (-x,x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (-x,-x,0;0,0,mz) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) 4f (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,0;0,0,mz) 4e (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,mz) 2d (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) 2c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 132.8.1117 P4_2'/m'cm' UNI: 132.454 P4_2'/m'cm' BNS: 132.454 P4_2'/m'cm' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8o (x,x,z;mx,mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,-x,-z+1/2;-mx,mx,mz) (-x,x,-z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8n (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 8m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;my,0,-mz) (1/2,-x,3/4;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,1/2,3/4;0,-my,-mz) (1/2,-x,1/4;-my,0,mz) (1/2,x,1/4;my,0,mz) (x,1/2,3/4;0,my,-mz) 8l (x,0,1/4;0,my,mz) (0,x,3/4;my,0,-mz) (0,-x,3/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,1/4;-my,0,mz) (0,x,1/4;my,0,mz) (x,0,3/4;0,my,-mz) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4j (x,x,1/2;mx,mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x,1/2;-mx,-mx,0) 4i (x,x,0;mx,mx,0) (-x,x,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,mz) 2d (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.9.1118 P4_2/m'c'm' UNI: 132.455 P4_2/m'c'm' BNS: 132.455 P4_2/m'c'm' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8o (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8n (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 8m (x,1/2,1/4;mx,0,0) (1/2,x,3/4;0,mx,0) (1/2,-x,3/4;0,-mx,0) (-x,1/2,1/4;-mx,0,0) (-x,1/2,3/4;-mx,0,0) (1/2,-x,1/4;0,-mx,0) (1/2,x,1/4;0,mx,0) (x,1/2,3/4;mx,0,0) 8l (x,0,1/4;mx,0,0) (0,x,3/4;0,mx,0) (0,-x,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,1/4;0,-mx,0) (0,x,1/4;0,mx,0) (x,0,3/4;mx,0,0) 8k (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 4j (x,x,1/2;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) 4i (x,x,0;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x,-x,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 4f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) 4e (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 2d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 2c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 132.10.1119 P_P4_2/mcm UNI: 131.445 P4_2/mmc.1'_C[rP4_2/mcm] BNS: 131.445 P_C4_2/mmc OG-BNS transformation: (0,0,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' (-1|1,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 16o (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z+1/2;-mx,-mx,0) (x+1,-x,z+1/2;mx,mx,0) (x+1,-x,-z+1/2;-mx,-mx,0) (-x+1,x,-z+1/2;mx,mx,0) (-x+1,-x,z;mx,-mx,0) (x+1,x,-z;mx,-mx,0) (-x+1,-x,-z;-mx,mx,0) 16n (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1,y,0;0,0,-mz) (-y+1,x,1/2;0,0,-mz) (y+1,-x,1/2;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) (y+1,x,0;0,0,mz) (-y+1,-x,0;0,0,mz) 16m (x,1/2,1/4;0,my,mz) (-1/2,x,3/4;-my,0,mz) (1/2,-x,3/4;my,0,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (1/2,x,-1/4;my,0,-mz) (-1/2,-x,-1/4;-my,0,-mz) (-x,-1/2,-1/4;0,my,mz) (1/2,-x,1/4;-my,0,mz) (-1/2,x,1/4;my,0,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) (-1/2,-x,1/4;my,0,-mz) (1/2,x,1/4;-my,0,-mz) 16l (x,0,1/4;mx,0,0) (0,x,-1/4;0,mx,0) (0,-x,-1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (1,x,-1/4;0,-mx,0) (1,-x,-1/4;0,mx,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (1,-x,1/4;0,-mx,0) (1,x,1/4;0,mx,0) (x+1,0,-1/4;mx,0,0) 16k (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;my,mx,0) (-1/2,0,-z;-my,-mx,0) (0,-1/2,-z;mx,my,0) (1/2,0,-z+1/2;-my,mx,0) (-1/2,0,-z+1/2;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 8j (x,x,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,1;0,0,0) (-x,-x,-1/2;0,0,0) (x+1,x,1/2;0,0,0) (-x+1,x,0;0,0,0) (x+1,-x,1;0,0,0) (-x+1,-x,-1/2;0,0,0) 8i (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1,x,0;0,0,0) (-x+1,x,1/2;0,0,0) (x+1,-x,1/2;0,0,0) (-x+1,-x,0;0,0,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1/2;0,0,0) (-1/2,1/2,-z+1/2;0,0,0) (-1/2,-1/2,-z;0,0,0) (3/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,-1/2,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) (1,0,-z+1/2;0,0,0) (1,0,-z;0,0,0) 8f (0,1/2,0;0,0,0) (-1/2,0,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) 8e (0,1/2,1/4;0,my,0) (-1/2,0,-1/4;-my,0,0) (1/2,0,-1/4;my,0,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (1/2,0,1/4;-my,0,0) (-1/2,0,1/4;my,0,0) (0,1/2,-1/4;0,-my,0) 4d (1/2,1/2,1/4;0,0,0) (-1/2,1/2,3/4;0,0,0) (-1/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (3/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,0;0,0,0) (1,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2xy|0,0,1/2) (2-xy|0,0,1/2) (2z|0,0,0) (2y|0,0,0) (2x|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (mz|0,0,0) (my|0,0,0) (mx|0,0,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2z|1/2,1/2,0)' (2y|1/2,1/2,0)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (mz|1/2,1/2,0)' (my|1/2,1/2,0)' (mx|1/2,1/2,0)' Wyckoff positions (BNS): 32p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x,y,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x,-y,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x+1/2,-y+1/2,z;mx,-my,mz) (-x+1/2,y+1/2,z;-mx,my,mz) 16o (0,y,z;mx,0,0) (-y,0,z+1/2;0,mx,0) (y,0,z+1/2;0,-mx,0) (y,0,-z+1/2;0,mx,0) (-y,0,-z+1/2;0,-mx,0) (0,-y,z;-mx,0,0) (0,y,-z;-mx,0,0) (0,-y,-z;mx,0,0) (1/2,y+1/2,z;-mx,0,0) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,-y+1/2,z;mx,0,0) (1/2,y+1/2,-z;mx,0,0) (1/2,-y+1/2,-z;-mx,0,0) 16n (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (-x,y,0;0,0,-mz) (x,-y,0;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) 16m (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,mz) (x+1/2,x,1/4;-mx,mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,mz) (-x+1/2,x,1/4;-mx,-mx,mz) (-x+1/2,-x,3/4;-mx,mx,-mz) (x+1/2,x,3/4;mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) 16l (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 16k (3/4,1/4,z;mx,my,0) (3/4,3/4,z+1/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,3/4,-z+1/2;my,mx,0) (3/4,1/4,-z+1/2;-my,-mx,0) (1/4,3/4,z;-mx,-my,0) (1/4,1/4,-z;-mx,my,0) (3/4,3/4,-z;mx,-my,0) (1/4,3/4,-z;mx,my,0) (1/4,1/4,-z+1/2;-my,mx,0) (3/4,3/4,-z+1/2;my,-mx,0) (3/4,1/4,z+1/2;my,mx,0) (1/4,3/4,z+1/2;-my,-mx,0) (3/4,1/4,-z;-mx,-my,0) (3/4,3/4,z;-mx,my,0) (1/4,1/4,z;mx,-my,0) 8j (0,y,1/2;0,0,0) (-y,0,0;0,0,0) (y,0,0;0,0,0) (0,-y,1/2;0,0,0) (1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,0;0,0,0) (y+1/2,1/2,0;0,0,0) (1/2,-y+1/2,1/2;0,0,0) 8i (0,y,0;0,0,0) (-y,0,1/2;0,0,0) (y,0,1/2;0,0,0) (0,-y,0;0,0,0) (1/2,y+1/2,0;0,0,0) (-y+1/2,1/2,1/2;0,0,0) (y+1/2,1/2,1/2;0,0,0) (1/2,-y+1/2,0;0,0,0) 8h (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) 8f (3/4,1/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (3/4,3/4,0;0,0,0) 8e (3/4,1/4,1/4;mx,-mx,0) (3/4,3/4,3/4;mx,mx,0) (1/4,1/4,3/4;-mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) (1/4,3/4,3/4;mx,-mx,0) (1/4,1/4,1/4;mx,mx,0) (3/4,3/4,1/4;-mx,-mx,0) (3/4,1/4,3/4;-mx,mx,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 132.11.1120 P_P4_2/m'cm UNI: 137.517 P4_2/nmc.1'_C[rP4_2/mcm] BNS: 137.517 P_C4_2/nmc OG-BNS transformation: (-1/2,1,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (-1|1,0,0) (-4z|1,0,1/2) (-4z-1|1,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1,0,0)' (4z|1,0,1/2)' (4z-1|1,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' (mxy|1,0,0)' (m-xy|1,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y+1,-x,-z+1/2;-my,mx,mz) (-y+1,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y+1,x,z+1/2;my,-mx,-mz) (y+1,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1,-x,z;-my,-mx,mz) (y+1,x,z;my,mx,mz) 16o (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x+1,-x,-z+1/2;mx,mx,0) (-x+1,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1,x,-z;-mx,mx,0) (-x+1,-x,-z;mx,-mx,0) (x+1,x,z;-mx,mx,0) (-x+1,x,z+1/2;-mx,-mx,0) (x+1,-x,z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x+1,-x,z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16n (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1,x,0;my,mx,0) (-y+1,-x,0;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y+1,-x,1/2;-my,mx,0) (-y+1,x,1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y,-x,0;my,mx,0) (y,x,0;-my,-mx,0) 16m (x,1/2,1/4;mx,0,0) (3/2,x,-1/4;0,mx,0) (1/2,-x,-1/4;0,-mx,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (-1/2,-x,1/4;0,mx,0) (1/2,x,1/4;0,-mx,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (1/2,x,-1/4;0,-mx,0) (-1/2,-x,-1/4;0,mx,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (1/2,-x,1/4;0,-mx,0) (3/2,x,1/4;0,mx,0) (x,1/2,-1/4;mx,0,0) 16l (x,0,1/4;0,my,mz) (0,x,3/4;-my,0,mz) (0,-x,3/4;my,0,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1,x,-1/4;my,0,-mz) (1,-x,-1/4;-my,0,-mz) (-x+1,0,-1/4;0,my,mz) (1,-x,1/4;-my,0,mz) (1,x,1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) (0,-x,1/4;my,0,-mz) (0,x,1/4;-my,0,-mz) 16k (0,1/2,z;mx,my,0) (-1/2,0,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z;my,mx,0) (1/2,0,-z;-my,-mx,0) (1,-1/2,-z;mx,my,0) (3/2,0,-z+1/2;-my,mx,0) (1/2,0,-z+1/2;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) (-1/2,0,z;my,mx,0) (1/2,0,z;-my,-mx,0) 8j (x,x,1/2;mx,-mx,0) (-x,x,1;mx,mx,0) (x,-x,1;-mx,-mx,0) (x+1,-x,0;mx,mx,0) (-x+1,x,0;-mx,-mx,0) (-x,-x,1/2;-mx,mx,0) (x+1,x,-1/2;-mx,mx,0) (-x+1,-x,-1/2;mx,-mx,0) 8i (x,x,0;mx,-mx,0) (-x,x,1/2;mx,mx,0) (x,-x,1/2;-mx,-mx,0) (x+1,-x,1/2;mx,mx,0) (-x+1,x,1/2;-mx,-mx,0) (-x,-x,0;-mx,mx,0) (x+1,x,0;-mx,mx,0) (-x+1,-x,0;mx,-mx,0) 8h (1/2,1/2,z;0,0,0) (-1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,-1/2,-z;0,0,0) (3/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (-1/2,1/2,-z+1/2;0,0,0) (-1/2,-1/2,-z;0,0,0) 8g (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1,0,-z+1/2;0,0,0) (1,0,-z;0,0,0) (1,0,z;0,0,0) (1,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 8f (0,1/2,0;mx,my,0) (-1/2,0,1/2;-my,mx,0) (1/2,0,1/2;my,-mx,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) (3/2,0,0;my,mx,0) (1/2,0,0;-my,-mx,0) 8e (0,1/2,1/4;mx,0,0) (3/2,0,-1/4;0,mx,0) (1/2,0,-1/4;0,-mx,0) (0,-1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (-1/2,0,1/4;0,mx,0) (1/2,0,1/4;0,-mx,0) (1,1/2,-1/4;-mx,0,0) 4d (1/2,1/2,1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) 4c (1/2,1/2,0;0,0,0) (-1/2,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1,0,1/4;0,0,0) (1,0,-1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (2z|1/2,1/2,0) (2y|0,1/2,0) (2x|1/2,0,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (mz|1/2,1/2,0) (my|0,1/2,0) (mx|1/2,0,0) (1|1/2,1/2,0)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2z|0,0,0)' (2y|1/2,0,0)' (2x|0,1/2,0)' (-1|1/2,1/2,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (mz|0,0,0)' (my|1/2,0,0)' (mx|0,1/2,0)' Wyckoff positions (BNS): 32p (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x+1/2,y,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x,y,-z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (-x,y+1/2,z;-mx,my,mz) 16o (3/4,y,z;mx,0,0) (-y+1/2,3/4,z+1/2;0,mx,0) (y,3/4,z+1/2;0,-mx,0) (y+1/2,1/4,-z+1/2;0,mx,0) (-y,1/4,-z+1/2;0,-mx,0) (3/4,-y+1/2,z;-mx,0,0) (1/4,y+1/2,-z;-mx,0,0) (1/4,-y,-z;mx,0,0) (1/4,y+1/2,z;-mx,0,0) (-y,1/4,z+1/2;0,-mx,0) (y+1/2,1/4,z+1/2;0,mx,0) (y,3/4,-z+1/2;0,-mx,0) (-y+1/2,3/4,-z+1/2;0,mx,0) (1/4,-y,z;mx,0,0) (3/4,y,-z;mx,0,0) (3/4,-y+1/2,-z;-mx,0,0) 16n (x,y,1/2;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y+1/2,x+1/2,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x,y+1/2,1/2;-mx,my,0) (x+1/2,-y,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y+1/2,-x+1/2,0;my,mx,0) (y,x,0;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x,-y+1/2,1/2;-mx,my,0) (-x+1/2,y,1/2;mx,-my,0) 16m (x,x+1/2,3/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x+1/2,3/4;mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x+1/2,1/4;mx,mx,0) 16l (x,x,3/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x,-x,3/4;mx,-mx,-mz) (-x+1/2,-x+1/2,3/4;-mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x,-x,1/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x,x+1/2,3/4;-mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,-mz) (x,x,1/4;mx,-mx,-mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (-x+1/2,x,3/4;mx,mx,-mz) 16k (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;-my,mx,0) (0,0,z+1/2;my,-mx,0) (1/2,0,-z+1/2;my,mx,0) (0,1/2,-z+1/2;-my,-mx,0) (0,1/2,z;-mx,-my,0) (1/2,1/2,-z;-mx,my,0) (0,0,-z;mx,-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z+1/2;-my,mx,0) (0,0,-z+1/2;my,-mx,0) (1/2,0,z+1/2;my,mx,0) (0,1/2,z+1/2;-my,-mx,0) (0,1/2,-z;-mx,-my,0) (1/2,1/2,z;-mx,my,0) (0,0,z;mx,-my,0) 8j (3/4,y,0;mx,0,0) (-y+1/2,3/4,1/2;0,mx,0) (y,3/4,1/2;0,-mx,0) (y+1/2,1/4,1/2;0,mx,0) (-y,1/4,1/2;0,-mx,0) (3/4,-y+1/2,0;-mx,0,0) (1/4,y+1/2,0;-mx,0,0) (1/4,-y,0;mx,0,0) 8i (3/4,y,1/2;mx,0,0) (-y+1/2,3/4,0;0,mx,0) (y,3/4,0;0,-mx,0) (y+1/2,1/4,0;0,mx,0) (-y,1/4,0;0,-mx,0) (3/4,-y+1/2,1/2;-mx,0,0) (1/4,y+1/2,1/2;-mx,0,0) (1/4,-y,1/2;mx,0,0) 8h (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 8f (1/2,0,1/2;mx,my,0) (1/2,1/2,0;-my,mx,0) (0,0,0;my,-mx,0) (1/2,0,0;my,mx,0) (0,1/2,0;-my,-mx,0) (0,1/2,1/2;-mx,-my,0) (1/2,1/2,1/2;-mx,my,0) (0,0,1/2;mx,-my,0) 8e (1/2,0,3/4;mx,mx,0) (1/2,1/2,1/4;-mx,mx,0) (0,0,1/4;mx,-mx,0) (0,1/2,3/4;-mx,-mx,0) (1/2,0,1/4;mx,mx,0) (1/2,1/2,3/4;-mx,mx,0) (0,0,3/4;mx,-mx,0) (0,1/2,1/4;-mx,-mx,0) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4c (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) 4b (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4a (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) ---------- OG: 132.12.1121 P_P4_2'/mcm' UNI: 135.493 P4_2/mbc.1'_C[rP4_2/mcm] BNS: 135.493 P_C4_2/mbc OG-BNS transformation: (1/2,1/2,0;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|1,0,0) (2-xy|1,0,0) (-1|0,0,0) (-4z|1,0,1/2) (-4z-1|1,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1,0,1/2)' (2y|1,0,1/2)' (2z|1,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|1,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32p (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x,-z;my,mx,-mz) (-y+1,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1,-x,-z+1/2;-my,mx,mz) (-y+1,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1,-y,-z+1/2;-mx,my,mz) (-x+1,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x+1,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16o (x,x,z;mx,mx,mz) (-x+1,x,z+1/2;-mx,mx,mz) (x+1,-x,z+1/2;mx,-mx,mz) (x,-x,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1,x,-z;mx,mx,-mz) (-x+1,-x,-z;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1,-x,-z+1/2;-mx,mx,mz) (-x+1,x,-z+1/2;mx,-mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 16n (x,y,0;0,0,mz) (-y+1,x,1/2;0,0,mz) (y+1,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1,x,0;0,0,-mz) (-y+1,-x,0;0,0,-mz) (x+1,y,0;0,0,-mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1,-y,1/2;0,0,mz) (-x+1,y,1/2;0,0,mz) (-x+1,-y,0;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16m (x,1/2,1/4;0,my,mz) (1/2,x,3/4;-my,0,mz) (3/2,-x,3/4;my,0,mz) (x,-1/2,1/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x,-1/2,1/4;0,-my,mz) (3/2,x,-1/4;my,0,-mz) (1/2,-x,-1/4;-my,0,-mz) (-x,-1/2,-1/4;0,my,mz) (3/2,-x,1/4;-my,0,mz) (1/2,x,1/4;my,0,mz) (-x,1/2,3/4;0,-my,-mz) (x,-1/2,3/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) (1/2,-x,1/4;my,0,-mz) (3/2,x,1/4;-my,0,-mz) 16l (x,0,1/4;mx,0,0) (1,x,-1/4;0,mx,0) (1,-x,-1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (1,-x,1/4;0,mx,0) (1,x,1/4;0,-mx,0) (x,0,-1/4;-mx,0,0) (x+1,0,1/4;-mx,0,0) (0,x,-1/4;0,-mx,0) (0,-x,-1/4;0,mx,0) (-x+1,0,1/4;mx,0,0) (-x+1,0,-1/4;-mx,0,0) (0,-x,1/4;0,-mx,0) (0,x,1/4;0,mx,0) (x+1,0,-1/4;mx,0,0) 16k (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-my,mx,0) (3/2,0,z+1/2;my,-mx,0) (0,-1/2,-z+1/2;mx,-my,0) (0,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (3/2,0,-z;my,mx,0) (1/2,0,-z;-my,-mx,0) (0,-1/2,-z;mx,my,0) (3/2,0,-z+1/2;-my,mx,0) (1/2,0,-z+1/2;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (0,1/2,-z;-mx,-my,0) (1/2,0,z;my,mx,0) (3/2,0,z;-my,-mx,0) 8j (x,x,1/2;0,0,mz) (-x+1,x,1;0,0,mz) (x+1,-x,1;0,0,mz) (x,-x,0;0,0,-mz) (-x,x,0;0,0,-mz) (-x,-x,1/2;0,0,mz) (x+1,x,-1/2;0,0,-mz) (-x+1,-x,-1/2;0,0,-mz) 8i (x,x,0;0,0,mz) (-x+1,x,1/2;0,0,mz) (x+1,-x,1/2;0,0,mz) (x,-x,1/2;0,0,-mz) (-x,x,1/2;0,0,-mz) (-x,-x,0;0,0,mz) (x+1,x,0;0,0,-mz) (-x+1,-x,0;0,0,-mz) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (-1/2,1/2,-z+1/2;0,0,-mz) (1/2,-1/2,-z;0,0,-mz) (-1/2,-1/2,-z;0,0,mz) (3/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) 8g (0,0,z;0,0,mz) (1,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1,0,-z;0,0,-mz) (0,0,-z;0,0,mz) (1,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) 8f (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (3/2,0,1/2;0,0,0) (0,-1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,-1/2,0;0,0,0) (3/2,0,0;0,0,0) (1/2,0,0;0,0,0) 8e (0,1/2,1/4;0,my,0) (1/2,0,-1/4;-my,0,0) (3/2,0,-1/4;my,0,0) (0,-1/2,1/4;0,-my,0) (0,-1/2,-1/4;0,my,0) (3/2,0,1/4;-my,0,0) (1/2,0,1/4;my,0,0) (0,1/2,-1/4;0,-my,0) 4d (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (-1/2,1/2,1/4;0,0,-mz) (1/2,-1/2,-1/4;0,0,-mz) 4c (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) (-1/2,1/2,1/2;0,0,-mz) (1/2,-1/2,0;0,0,-mz) 4b (0,0,1/4;0,0,0) (1,0,-1/4;0,0,0) (0,0,-1/4;0,0,0) (1,0,1/4;0,0,0) 4a (0,0,0;0,0,mz) (1,0,1/2;0,0,mz) (0,0,1/2;0,0,-mz) (1,0,0;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2z|0,0,0) (2y|1/2,1/2,0) (2x|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (mz|0,0,0) (my|1/2,1/2,0) (mx|1/2,1/2,0) (1|1/2,1/2,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (2z|1/2,1/2,0)' (2y|0,0,0)' (2x|0,0,0)' (-1|1/2,1/2,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' (mz|1/2,1/2,0)' (my|0,0,0)' (mx|0,0,0)' Wyckoff positions (BNS): 32p (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,z;-mx,-my,mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x,y,-z;-mx,-my,mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (-x,y,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (x,-y,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 16o (0,y,z;0,my,mz) (-y,0,z+1/2;-my,0,mz) (y,0,z+1/2;my,0,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (0,-y,z;0,-my,mz) (1/2,y+1/2,-z;0,my,-mz) (1/2,-y+1/2,-z;0,-my,-mz) (0,-y,-z;0,my,mz) (y,0,-z+1/2;-my,0,mz) (-y,0,-z+1/2;my,0,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) (0,y,-z;0,-my,mz) (1/2,-y+1/2,z;0,my,-mz) (1/2,y+1/2,z;0,-my,-mz) 16n (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,-mz) (x+1/2,y+1/2,0;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) (-x+1/2,-y+1/2,0;0,0,-mz) (-x,y,0;0,0,mz) (x,-y,0;0,0,mz) 16m (x,x,1/4;mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (x,-x,3/4;-mx,-mx,mz) (x+1/2,x+1/2,1/4;-mx,mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,1/4;mx,mx,mz) (-x,x,1/4;-mx,-mx,mz) (-x+1/2,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) (x,x,3/4;-mx,mx,mz) (x+1/2,-x+1/2,1/4;-mx,-mx,-mz) (-x+1/2,x+1/2,1/4;mx,mx,-mz) 16l (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x,1/4;mx,mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x,3/4;mx,mx,0) 16k (3/4,3/4,z;mx,my,0) (1/4,3/4,z+1/2;-my,mx,0) (3/4,1/4,z+1/2;my,-mx,0) (1/4,1/4,-z+1/2;my,mx,0) (3/4,3/4,-z+1/2;-my,-mx,0) (1/4,1/4,z;-mx,-my,0) (3/4,1/4,-z;-mx,my,0) (1/4,3/4,-z;mx,-my,0) (1/4,1/4,-z;mx,my,0) (3/4,1/4,-z+1/2;-my,mx,0) (1/4,3/4,-z+1/2;my,-mx,0) (3/4,3/4,z+1/2;my,mx,0) (1/4,1/4,z+1/2;-my,-mx,0) (3/4,3/4,-z;-mx,-my,0) (1/4,3/4,z;-mx,my,0) (3/4,1/4,z;mx,-my,0) 8j (0,y,1/2;0,0,mz) (-y,0,0;0,0,mz) (y,0,0;0,0,mz) (y+1/2,1/2,0;0,0,-mz) (-y+1/2,1/2,0;0,0,-mz) (0,-y,1/2;0,0,mz) (1/2,y+1/2,1/2;0,0,-mz) (1/2,-y+1/2,1/2;0,0,-mz) 8i (0,y,0;0,0,mz) (-y,0,1/2;0,0,mz) (y,0,1/2;0,0,mz) (y+1/2,1/2,1/2;0,0,-mz) (-y+1/2,1/2,1/2;0,0,-mz) (0,-y,0;0,0,mz) (1/2,y+1/2,0;0,0,-mz) (1/2,-y+1/2,0;0,0,-mz) 8h (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 8f (3/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) 8e (3/4,3/4,1/4;mx,-mx,0) (1/4,3/4,3/4;mx,mx,0) (3/4,1/4,3/4;-mx,-mx,0) (1/4,1/4,1/4;-mx,mx,0) (1/4,1/4,3/4;mx,-mx,0) (3/4,1/4,1/4;mx,mx,0) (1/4,3/4,1/4;-mx,-mx,0) (3/4,3/4,3/4;-mx,mx,0) 4d (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) 4b (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) ---------- OG: 132.13.1122 P_P4_2'/m'cm' UNI: 133.469 P4_2/nbc.1'_C[rP4_2/mcm] BNS: 133.469 P_C4_2/nbc OG-BNS transformation: (-1,1/2,-1/2;a-b,a+b,c) Operators (OG): (1|0,0,0) (4z|1,0,1/2) (4z-1|1,0,1/2) (2x|1,0,1/2) (2y|1,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|1,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|1,0,0) (mxy|1,0,0) (m-xy|1,0,0) (1|1,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1,0,0)' (2xy|1,0,0)' (2-xy|1,0,0)' (-1|0,0,0)' (-4z|1,0,1/2)' (-4z-1|1,0,1/2)' (mx|1,0,1/2)' (my|1,0,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 32p (x,y,z;mx,my,mz) (-y+1,x,z+1/2;-my,mx,mz) (y+1,-x,z+1/2;my,-mx,mz) (x+1,-y,-z+1/2;mx,-my,-mz) (-x+1,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1,y,-z;-mx,-my,mz) (-y+1,-x,z;my,mx,-mz) (y+1,x,z;-my,-mx,-mz) (x+1,y,z;-mx,-my,-mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1,-y,z;mx,my,-mz) (y+1,x,-z;-my,-mx,mz) (-y+1,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1,-x,-z+1/2;my,-mx,-mz) (-y+1,x,-z+1/2;-my,mx,-mz) (-x+1,y,z+1/2;-mx,my,mz) (x+1,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16o (x,x,z;mx,mx,mz) (-x+1,x,z+1/2;-mx,mx,mz) (x+1,-x,z+1/2;mx,-mx,mz) (x+1,-x,-z+1/2;mx,-mx,-mz) (-x+1,x,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x+1,-x,-z;mx,mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (-x,x,-z+1/2;mx,-mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x+1,x,-z;-mx,-mx,mz) (-x+1,-x,z;mx,mx,-mz) (x+1,x,z;-mx,-mx,-mz) 16n (x,y,0;mx,my,0) (-y+1,x,1/2;-my,mx,0) (y+1,-x,1/2;my,-mx,0) (x+1,-y,1/2;mx,-my,0) (-x+1,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1,-y,0;mx,my,0) (y,-x,1/2;-my,mx,0) (-y,x,1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1,y,0;-mx,-my,0) (-y+1,-x,0;my,mx,0) (y+1,x,0;-my,-mx,0) 16m (x,1/2,1/4;mx,0,0) (1/2,x,-1/4;0,mx,0) (-1/2,-x,-1/4;0,-mx,0) (-x,-1/2,1/4;-mx,0,0) (-x+1,-1/2,-1/4;mx,0,0) (1/2,-x,1/4;0,mx,0) (3/2,x,1/4;0,-mx,0) (x+1,1/2,-1/4;-mx,0,0) (x+1,1/2,1/4;-mx,0,0) (3/2,x,-1/4;0,-mx,0) (1/2,-x,-1/4;0,mx,0) (-x+1,-1/2,1/4;mx,0,0) (-x,-1/2,-1/4;-mx,0,0) (-1/2,-x,1/4;0,-mx,0) (1/2,x,1/4;0,mx,0) (x,1/2,-1/4;mx,0,0) 16l (x,0,1/4;0,my,mz) (1,x,3/4;-my,0,mz) (1,-x,3/4;my,0,mz) (x+1,0,1/4;0,-my,-mz) (-x+1,0,1/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,-1/4;my,0,-mz) (0,-x,-1/4;-my,0,-mz) (-x+1,0,-1/4;0,my,mz) (0,-x,1/4;-my,0,mz) (0,x,1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1,0,-1/4;0,-my,mz) (1,-x,1/4;my,0,-mz) (1,x,1/4;-my,0,-mz) 16k (0,1/2,z;mx,my,0) (1/2,0,z+1/2;-my,mx,0) (3/2,0,z+1/2;my,-mx,0) (1,-1/2,-z+1/2;mx,-my,0) (1,1/2,-z+1/2;-mx,my,0) (0,-1/2,z;-mx,-my,0) (1/2,0,-z;my,mx,0) (-1/2,0,-z;-my,-mx,0) (1,-1/2,-z;mx,my,0) (1/2,0,-z+1/2;-my,mx,0) (-1/2,0,-z+1/2;my,-mx,0) (0,1/2,z+1/2;mx,-my,0) (0,-1/2,z+1/2;-mx,my,0) (1,1/2,-z;-mx,-my,0) (1/2,0,z;my,mx,0) (3/2,0,z;-my,-mx,0) 8j (x,x,1/2;mx,mx,0) (-x+1,x,0;-mx,mx,0) (x+1,-x,1;mx,-mx,0) (-x,-x,-1/2;-mx,-mx,0) (-x+1,-x,-1/2;mx,mx,0) (x,-x,1;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1,x,1/2;-mx,-mx,0) 8i (x,x,0;mx,mx,0) (-x+1,x,1/2;-mx,mx,0) (x+1,-x,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (-x+1,-x,0;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (x+1,x,0;-mx,-mx,0) 8h (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (-1/2,-1/2,-z;0,0,-mz) (1/2,-1/2,-z;0,0,mz) (1/2,-1/2,-z+1/2;0,0,mz) (1/2,-1/2,z+1/2;0,0,-mz) (3/2,1/2,z;0,0,-mz) 8g (0,0,z;0,0,mz) (1,0,z+1/2;0,0,mz) (1,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (1,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1,0,z;0,0,-mz) 8f (0,1/2,0;mx,my,0) (1/2,0,1/2;-my,mx,0) (3/2,0,1/2;my,-mx,0) (1,-1/2,1/2;mx,-my,0) (1,1/2,1/2;-mx,my,0) (0,-1/2,0;-mx,-my,0) (1/2,0,0;my,mx,0) (-1/2,0,0;-my,-mx,0) 8e (0,1/2,1/4;mx,0,0) (1/2,0,-1/4;0,mx,0) (-1/2,0,-1/4;0,-mx,0) (0,-1/2,1/4;-mx,0,0) (1,-1/2,-1/4;mx,0,0) (1/2,0,1/4;0,mx,0) (3/2,0,1/4;0,-mx,0) (1,1/2,-1/4;-mx,0,0) 4d (1/2,1/2,1/4;0,0,0) (-1/2,-1/2,-1/4;0,0,0) (1/2,-1/2,-1/4;0,0,0) (3/2,1/2,1/4;0,0,0) 4c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,-1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,mz) (1,0,3/4;0,0,mz) (1,0,1/4;0,0,-mz) (0,0,-1/4;0,0,-mz) 4a (0,0,0;0,0,0) (1,0,1/2;0,0,0) (1,0,0;0,0,0) (0,0,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2z|1/2,1/2,0) (2y|1/2,0,0) (2x|0,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (mz|1/2,1/2,0) (my|1/2,0,0) (mx|0,1/2,0) (1|1/2,1/2,0)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (2z|0,0,0)' (2y|0,1/2,0)' (2x|1/2,0,0)' (-1|1/2,1/2,0)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' (mz|0,0,0)' (my|0,1/2,0)' (mx|1/2,0,0)' Wyckoff positions (BNS): 32p (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (x+1/2,-y,z;-mx,my,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,y+1/2,z;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,z;mx,my,-mz) (-x,y+1/2,-z;mx,-my,mz) (x+1/2,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) (x,y,-z;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x+1/2,y,z;-mx,my,mz) 16o (3/4,y,z;0,my,mz) (-y+1/2,3/4,z+1/2;-my,0,mz) (y,3/4,z+1/2;my,0,mz) (y,3/4,-z+1/2;my,0,-mz) (-y+1/2,3/4,-z+1/2;-my,0,-mz) (3/4,-y+1/2,z;0,-my,mz) (3/4,y,-z;0,my,-mz) (3/4,-y+1/2,-z;0,-my,-mz) (1/4,-y,-z;0,my,mz) (y+1/2,1/4,-z+1/2;-my,0,mz) (-y,1/4,-z+1/2;my,0,mz) (-y,1/4,z+1/2;my,0,-mz) (y+1/2,1/4,z+1/2;-my,0,-mz) (1/4,y+1/2,-z;0,-my,mz) (1/4,-y,z;0,my,-mz) (1/4,y+1/2,z;0,-my,-mz) 16n (x,y,1/2;mx,my,0) (-y+1/2,x,0;-my,mx,0) (y,-x+1/2,0;my,-mx,0) (y,x,0;my,mx,0) (-y+1/2,-x+1/2,0;-my,-mx,0) (-x+1/2,-y+1/2,1/2;-mx,-my,0) (-x+1/2,y,1/2;-mx,my,0) (x,-y+1/2,1/2;mx,-my,0) (-x,-y,1/2;mx,my,0) (y+1/2,-x,0;-my,mx,0) (-y,x+1/2,0;my,-mx,0) (-y,-x,0;my,mx,0) (y+1/2,x+1/2,0;-my,-mx,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (x+1/2,-y,1/2;-mx,my,0) (-x,y+1/2,1/2;mx,-my,0) 16m (x,x,3/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,-x,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,x,1/4;mx,mx,0) 16l (x,x+1/2,3/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x+1/2,-x+1/2,1/4;-mx,-mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x,-x+1/2,3/4;mx,-mx,-mz) (-x+1/2,-x,3/4;-mx,mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x+1/2,1/4;mx,-mx,mz) (x,-x,3/4;mx,mx,mz) (-x+1/2,x+1/2,3/4;-mx,-mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x,x+1/2,1/4;mx,-mx,-mz) (x+1/2,x,1/4;-mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) 16k (1/2,1/2,z;mx,my,0) (0,1/2,z+1/2;-my,mx,0) (1/2,0,z+1/2;my,-mx,0) (1/2,1/2,-z+1/2;my,mx,0) (0,0,-z+1/2;-my,-mx,0) (0,0,z;-mx,-my,0) (0,1/2,-z;-mx,my,0) (1/2,0,-z;mx,-my,0) (1/2,1/2,-z;mx,my,0) (0,1/2,-z+1/2;-my,mx,0) (1/2,0,-z+1/2;my,-mx,0) (1/2,1/2,z+1/2;my,mx,0) (0,0,z+1/2;-my,-mx,0) (0,0,-z;-mx,-my,0) (0,1/2,z;-mx,my,0) (1/2,0,z;mx,-my,0) 8j (3/4,y,0;0,my,0) (-y+1/2,3/4,1/2;-my,0,0) (y,3/4,1/2;my,0,0) (3/4,-y+1/2,0;0,-my,0) (1/4,-y,0;0,my,0) (y+1/2,1/4,1/2;-my,0,0) (-y,1/4,1/2;my,0,0) (1/4,y+1/2,0;0,-my,0) 8i (3/4,y,1/2;0,my,0) (-y+1/2,3/4,0;-my,0,0) (y,3/4,0;my,0,0) (3/4,-y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (y+1/2,1/4,0;-my,0,0) (-y,1/4,0;my,0,0) (1/4,y+1/2,1/2;0,-my,0) 8h (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) 8f (1/2,1/2,1/2;mx,my,0) (0,1/2,0;-my,mx,0) (1/2,0,0;my,-mx,0) (1/2,1/2,0;my,mx,0) (0,0,0;-my,-mx,0) (0,0,1/2;-mx,-my,0) (0,1/2,1/2;-mx,my,0) (1/2,0,1/2;mx,-my,0) 8e (1/2,1/2,3/4;mx,mx,0) (0,1/2,1/4;-mx,mx,0) (1/2,0,1/4;mx,-mx,0) (0,0,3/4;-mx,-mx,0) (1/2,1/2,1/4;mx,mx,0) (0,1/2,3/4;-mx,mx,0) (1/2,0,3/4;mx,-mx,0) (0,0,1/4;-mx,-mx,0) 4d (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (3/4,3/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,-mz) 4a (3/4,1/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) ---------- OG: 133.1.1123 P4_2/nbc UNI: 133.459 P4_2/nbc.1 BNS: 133.459 P4_2/nbc Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,x,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) 8i (x,1/4,1/2;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,3/4,1/2;-mx,0,0) 8h (x,1/4,0;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,3/4,0;-mx,0,0) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;-my,mx,mz) (0,1/2,1/2;my,-mx,mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;my,mx,-mz) (1/2,1/2,1/2;-my,-mx,-mz) 4d (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 133.2.1124 P4_2/nbc1' UNI: 133.460 P4_2/nbc.1' BNS: 133.460 P4_2/nbc1' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;0,0,0) (-y+1/2,x,z+1/2;0,0,0) (y,-x+1/2,z+1/2;0,0,0) (x,-y+1/2,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z+1/2;0,0,0) (-y,x+1/2,-z+1/2;0,0,0) (-x,y+1/2,z;0,0,0) (x+1/2,-y,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 8j (x,x,1/4;0,0,0) (-x+1/2,x,3/4;0,0,0) (x,-x+1/2,3/4;0,0,0) (-x+1/2,-x+1/2,1/4;0,0,0) (-x,-x,3/4;0,0,0) (x+1/2,-x,1/4;0,0,0) (-x,x+1/2,1/4;0,0,0) (x+1/2,x+1/2,3/4;0,0,0) 8i (x,1/4,1/2;0,0,0) (1/4,x,0;0,0,0) (1/4,-x+1/2,0;0,0,0) (-x+1/2,1/4,1/2;0,0,0) (-x,3/4,1/2;0,0,0) (3/4,-x,0;0,0,0) (3/4,x+1/2,0;0,0,0) (x+1/2,3/4,1/2;0,0,0) 8h (x,1/4,0;0,0,0) (1/4,x,1/2;0,0,0) (1/4,-x+1/2,1/2;0,0,0) (-x+1/2,1/4,0;0,0,0) (-x,3/4,0;0,0,0) (3/4,-x,1/2;0,0,0) (3/4,x+1/2,1/2;0,0,0) (x+1/2,3/4,0;0,0,0) 8g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 8f (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 133.3.1125 P4_2/n'bc UNI: 133.461 P4_2/n'bc BNS: 133.461 P4_2/n'bc Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,x,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) 8i (x,1/4,1/2;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (3/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) (x+1/2,3/4,1/2;0,my,-mz) 8h (x,1/4,0;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (3/4,-x,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) (x+1/2,3/4,0;0,my,-mz) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) (3/4,3/4,1/4;0,0,-mz) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (1/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) (3/4,3/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,-mz) ---------- OG: 133.4.1126 P4_2'/nb'c UNI: 133.462 P4_2'/nb'c BNS: 133.462 P4_2'/nb'c Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,x,1/4;mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) 8i (x,1/4,1/2;0,my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (3/4,-x,0;my,0,-mz) (3/4,x+1/2,0;-my,0,-mz) (x+1/2,3/4,1/2;0,-my,mz) 8h (x,1/4,0;0,my,mz) (1/4,x,1/2;my,0,-mz) (1/4,-x+1/2,1/2;-my,0,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (3/4,-x,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) (x+1/2,3/4,0;0,-my,mz) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;my,mx,-mz) (1/2,1/2,1/2;-my,-mx,-mz) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) ---------- OG: 133.5.1127 P4_2'/nbc' UNI: 133.463 P4_2'/nbc' BNS: 133.463 P4_2'/nbc' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,x,1/4;mx,-mx,mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) 8i (x,1/4,1/2;mx,0,0) (1/4,x,0;0,-mx,0) (1/4,-x+1/2,0;0,mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;mx,0,0) (3/4,-x,0;0,-mx,0) (3/4,x+1/2,0;0,mx,0) (x+1/2,3/4,1/2;-mx,0,0) 8h (x,1/4,0;mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,3/4,0;-mx,0,0) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (0,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-my,-mx,mz) (1/2,1/2,1/2;my,mx,mz) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 133.6.1128 P4_2'/n'b'c UNI: 133.464 P4_2'/n'b'c BNS: 133.464 P4_2'/n'b'c Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8j (x,x,1/4;mx,-mx,mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x+1/2,-x,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (x+1/2,x+1/2,3/4;mx,-mx,-mz) 8i (x,1/4,1/2;mx,0,0) (1/4,x,0;0,-mx,0) (1/4,-x+1/2,0;0,mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (3/4,-x,0;0,mx,0) (3/4,x+1/2,0;0,-mx,0) (x+1/2,3/4,1/2;mx,0,0) 8h (x,1/4,0;mx,0,0) (1/4,x,1/2;0,-mx,0) (1/4,-x+1/2,1/2;0,mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,3/4,0;mx,0,0) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (3/4,1/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,-mz) (3/4,3/4,1/4;0,0,mz) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 133.7.1129 P4_2/nb'c' UNI: 133.465 P4_2/nb'c' BNS: 133.465 P4_2/nb'c' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0) (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,x,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,mz) 8i (x,1/4,1/2;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,my,mz) (3/4,-x,0;-my,0,mz) (3/4,x+1/2,0;my,0,mz) (x+1/2,3/4,1/2;0,-my,mz) 8h (x,1/4,0;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,my,mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (x+1/2,3/4,0;0,-my,mz) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;-my,mx,mz) (0,1/2,1/2;my,-mx,mz) (0,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (0,0,1/2;-my,-mx,mz) (1/2,1/2,1/2;my,mx,mz) 4d (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,mz) ---------- OG: 133.8.1130 P4_2'/n'bc' UNI: 133.466 P4_2'/n'bc' BNS: 133.466 P4_2'/n'bc' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,x,1/4;mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 8i (x,1/4,1/2;0,my,mz) (1/4,x,0;my,0,-mz) (1/4,-x+1/2,0;-my,0,-mz) (-x+1/2,1/4,1/2;0,-my,mz) (-x,3/4,1/2;0,-my,-mz) (3/4,-x,0;-my,0,mz) (3/4,x+1/2,0;my,0,mz) (x+1/2,3/4,1/2;0,my,-mz) 8h (x,1/4,0;0,my,mz) (1/4,x,1/2;my,0,-mz) (1/4,-x+1/2,1/2;-my,0,-mz) (-x+1/2,1/4,0;0,-my,mz) (-x,3/4,0;0,-my,-mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (x+1/2,3/4,0;0,my,-mz) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,mz) 4a (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,mz) ---------- OG: 133.9.1131 P4_2/n'b'c' UNI: 133.467 P4_2/n'b'c' BNS: 133.467 P4_2/n'b'c' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8j (x,x,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1/2,3/4;mx,mx,0) 8i (x,1/4,1/2;mx,0,0) (1/4,x,0;0,mx,0) (1/4,-x+1/2,0;0,-mx,0) (-x+1/2,1/4,1/2;-mx,0,0) (-x,3/4,1/2;-mx,0,0) (3/4,-x,0;0,-mx,0) (3/4,x+1/2,0;0,mx,0) (x+1/2,3/4,1/2;mx,0,0) 8h (x,1/4,0;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;-mx,0,0) (3/4,-x,1/2;0,-mx,0) (3/4,x+1/2,1/2;0,mx,0) (x+1/2,3/4,0;mx,0,0) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) 8f (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 134.1.1132 P4_2/nnm UNI: 134.471 P4_2/nnm.1 BNS: 134.471 P4_2/nnm Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 8l (x,x,1/2;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 8j (x,1/4,1/4;mx,0,0) (1/4,x,3/4;0,mx,0) (1/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,-x,1/4;0,mx,0) (3/4,x+1/2,1/4;0,-mx,0) (x+1/2,3/4,3/4;-mx,0,0) 8i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,1/4;-mx,0,0) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4f (0,0,0;mx,mx,0) (1/2,0,1/2;-mx,mx,0) (0,1/2,1/2;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) 4e (0,0,1/2;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,0;mx,-mx,0) (1/2,1/2,1/2;-mx,-mx,0) 4d (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.2.1133 P4_2/nnm1' UNI: 134.472 P4_2/nnm.1' BNS: 134.472 P4_2/nnm1' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|0,0,0)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;0,0,0) (-y+1/2,x,z+1/2;0,0,0) (y,-x+1/2,z+1/2;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y,x,-z;0,0,0) (-y+1/2,-x+1/2,-z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z+1/2;0,0,0) (-y,x+1/2,-z+1/2;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y,-x,z;0,0,0) (y+1/2,x+1/2,z;0,0,0) 8m (x,-x,z;0,0,0) (x+1/2,x,z+1/2;0,0,0) (-x,-x+1/2,z+1/2;0,0,0) (x,x+1/2,-z+1/2;0,0,0) (-x+1/2,-x,-z+1/2;0,0,0) (-x+1/2,x+1/2,z;0,0,0) (-x,x,-z;0,0,0) (x+1/2,-x+1/2,-z;0,0,0) 8l (x,x,1/2;0,0,0) (-x+1/2,x,0;0,0,0) (x,-x+1/2,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,1/2;0,0,0) (x+1/2,-x,0;0,0,0) (-x,x+1/2,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) 8k (x,x,0;0,0,0) (-x+1/2,x,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,0;0,0,0) (-x,-x,0;0,0,0) (x+1/2,-x,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) (x+1/2,x+1/2,0;0,0,0) 8j (x,1/4,1/4;0,0,0) (1/4,x,3/4;0,0,0) (1/4,-x+1/2,3/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,-x,1/4;0,0,0) (3/4,x+1/2,1/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 8i (x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (-x,3/4,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,1/4;0,0,0) 8h (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,z+1/2;0,0,0) (3/4,3/4,z;0,0,0) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4f (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.3.1134 P4_2/n'nm UNI: 134.473 P4_2/n'nm BNS: 134.473 P4_2/n'nm Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0)' (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) 8l (x,x,1/2;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 8k (x,x,0;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 8j (x,1/4,1/4;0,my,mz) (1/4,x,3/4;-my,0,mz) (1/4,-x+1/2,3/4;my,0,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (3/4,-x,1/4;my,0,-mz) (3/4,x+1/2,1/4;-my,0,-mz) (x+1/2,3/4,3/4;0,my,-mz) 8i (x,1/4,3/4;0,my,mz) (1/4,x,1/4;-my,0,mz) (1/4,-x+1/2,1/4;my,0,mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,-my,-mz) (3/4,-x,3/4;my,0,-mz) (3/4,x+1/2,3/4;-my,0,-mz) (x+1/2,3/4,1/4;0,my,-mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,-mz) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4f (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) (3/4,3/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,-mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,-mz) (3/4,3/4,1/4;0,0,-mz) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.4.1135 P4_2'/nn'm UNI: 134.474 P4_2'/nn'm BNS: 134.474 P4_2'/nn'm Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;mx,-mx,0) (-x,-x+1/2,z+1/2;-mx,mx,0) (x,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) 8l (x,x,1/2;mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) 8j (x,1/4,1/4;0,my,mz) (1/4,x,3/4;my,0,-mz) (1/4,-x+1/2,3/4;-my,0,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (3/4,-x,1/4;my,0,-mz) (3/4,x+1/2,1/4;-my,0,-mz) (x+1/2,3/4,3/4;0,-my,mz) 8i (x,1/4,3/4;0,my,mz) (1/4,x,1/4;my,0,-mz) (1/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (3/4,-x,3/4;my,0,-mz) (3/4,x+1/2,3/4;-my,0,-mz) (x+1/2,3/4,1/4;0,-my,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,z;0,0,-mz) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4f (0,0,0;mx,mx,0) (1/2,0,1/2;mx,-mx,0) (0,1/2,1/2;-mx,mx,0) (1/2,1/2,0;-mx,-mx,0) 4e (0,0,1/2;mx,mx,0) (1/2,0,0;mx,-mx,0) (0,1/2,0;-mx,mx,0) (1/2,1/2,1/2;-mx,-mx,0) 4d (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,-mz) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.5.1136 P4_2'/nnm' UNI: 134.475 P4_2'/nnm' BNS: 134.475 P4_2'/nnm' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) 8l (x,x,1/2;mx,-mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,0;-mx,-mx,-mz) (-x,x+1/2,0;mx,mx,-mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) 8k (x,x,0;mx,-mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,1/2;-mx,-mx,-mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) 8j (x,1/4,1/4;mx,0,0) (1/4,x,3/4;0,-mx,0) (1/4,-x+1/2,3/4;0,mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,-x,1/4;0,-mx,0) (3/4,x+1/2,1/4;0,mx,0) (x+1/2,3/4,3/4;-mx,0,0) 8i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,1/4;-mx,0,0) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 4g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) 4f (0,0,0;mx,-mx,mz) (1/2,0,1/2;-mx,-mx,-mz) (0,1/2,1/2;mx,mx,-mz) (1/2,1/2,0;-mx,mx,mz) 4e (0,0,1/2;mx,-mx,mz) (1/2,0,0;-mx,-mx,-mz) (0,1/2,0;mx,mx,-mz) (1/2,1/2,1/2;-mx,mx,mz) 4d (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.6.1137 P4_2'/n'n'm UNI: 134.476 P4_2'/n'n'm BNS: 134.476 P4_2'/n'n'm Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,0) (m-xy|1/2,1/2,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) 8m (x,-x,z;mx,mx,0) (x+1/2,x,z+1/2;mx,-mx,0) (-x,-x+1/2,z+1/2;-mx,mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (-x,x,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z;mx,mx,0) 8l (x,x,1/2;mx,-mx,mz) (-x+1/2,x,0;-mx,-mx,-mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;-mx,mx,-mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 8k (x,x,0;mx,-mx,mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (x,-x+1/2,1/2;mx,mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (x+1/2,x+1/2,0;mx,-mx,-mz) 8j (x,1/4,1/4;mx,0,0) (1/4,x,3/4;0,-mx,0) (1/4,-x+1/2,3/4;0,mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (3/4,x+1/2,1/4;0,-mx,0) (x+1/2,3/4,3/4;mx,0,0) 8i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,1/4;mx,0,0) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,z;0,0,-mz) 4g (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4f (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,-mz) (3/4,3/4,1/2;0,0,mz) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.7.1138 P4_2/nn'm' UNI: 134.477 P4_2/nn'm' BNS: 134.477 P4_2/nn'm' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0) (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (x,x+1/2,-z+1/2;-mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) 8l (x,x,1/2;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,mz) 8k (x,x,0;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (x+1/2,x+1/2,0;-mx,mx,mz) 8j (x,1/4,1/4;0,my,mz) (1/4,x,3/4;-my,0,mz) (1/4,-x+1/2,3/4;my,0,mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,my,mz) (3/4,-x,1/4;-my,0,mz) (3/4,x+1/2,1/4;my,0,mz) (x+1/2,3/4,3/4;0,-my,mz) 8i (x,1/4,3/4;0,my,mz) (1/4,x,1/4;-my,0,mz) (1/4,-x+1/2,1/4;my,0,mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,my,mz) (3/4,-x,3/4;-my,0,mz) (3/4,x+1/2,3/4;my,0,mz) (x+1/2,3/4,1/4;0,-my,mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,z;0,0,mz) 4g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) 4f (0,0,0;mx,-mx,mz) (1/2,0,1/2;mx,mx,mz) (0,1/2,1/2;-mx,-mx,mz) (1/2,1/2,0;-mx,mx,mz) 4e (0,0,1/2;mx,-mx,mz) (1/2,0,0;mx,mx,mz) (0,1/2,0;-mx,-mx,mz) (1/2,1/2,1/2;-mx,mx,mz) 4d (1/4,1/4,0;0,0,mz) (1/4,1/4,1/2;0,0,mz) (3/4,3/4,0;0,0,mz) (3/4,3/4,1/2;0,0,mz) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,mz) (3/4,3/4,3/4;0,0,mz) (3/4,3/4,1/4;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) 2a (1/4,3/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,mz) ---------- OG: 134.8.1139 P4_2'/n'nm' UNI: 134.478 P4_2'/n'nm' BNS: 134.478 P4_2'/n'nm' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x,x+1/2,-z+1/2;-mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) 8l (x,x,1/2;mx,mx,0) (-x+1/2,x,0;mx,-mx,0) (x,-x+1/2,0;-mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 8k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,0;mx,mx,0) 8j (x,1/4,1/4;0,my,mz) (1/4,x,3/4;my,0,-mz) (1/4,-x+1/2,3/4;-my,0,-mz) (-x+1/2,1/4,1/4;0,-my,mz) (-x,3/4,3/4;0,-my,-mz) (3/4,-x,1/4;-my,0,mz) (3/4,x+1/2,1/4;my,0,mz) (x+1/2,3/4,3/4;0,my,-mz) 8i (x,1/4,3/4;0,my,mz) (1/4,x,1/4;my,0,-mz) (1/4,-x+1/2,1/4;-my,0,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (-x,3/4,1/4;0,-my,-mz) (3/4,-x,3/4;-my,0,mz) (3/4,x+1/2,3/4;my,0,mz) (x+1/2,3/4,1/4;0,my,-mz) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 4g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) 4f (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (1/4,1/4,1/4;0,0,mz) (1/4,1/4,3/4;0,0,-mz) (3/4,3/4,3/4;0,0,-mz) (3/4,3/4,1/4;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) 2a (1/4,3/4,1/4;0,0,mz) (3/4,1/4,3/4;0,0,-mz) ---------- OG: 134.9.1140 P4_2/n'n'm' UNI: 134.479 P4_2/n'n'm' BNS: 134.479 P4_2/n'n'm' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16n (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 8m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+1/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x+1/2,x+1/2,z;-mx,mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) 8l (x,x,1/2;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x+1/2,-x,0;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 8k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,1/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,0;mx,mx,0) 8j (x,1/4,1/4;mx,0,0) (1/4,x,3/4;0,mx,0) (1/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,-x,1/4;0,-mx,0) (3/4,x+1/2,1/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 8i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,1/4;mx,0,0) 8h (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,z;0,0,mz) 4g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) 4f (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4e (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) 4c (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) ---------- OG: 134.10.1141 P_I4_2/nnm UNI: 141.560 I4_1/amd.1'_c[rP4_2/nnm] BNS: 141.560 I_c4_1/amd OG-BNS transformation: (1/2,0,-1;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,3/2) (4z-1|0,1/2,1/2) (2x|0,1/2,3/2) (2y|1/2,0,1/2) (2z|1/2,1/2,1) (2xy|0,0,1) (2-xy|1/2,1/2,0) (-1|0,0,1) (-4z|1/2,0,1/2) (-4z-1|0,1/2,3/2) (mx|0,1/2,1/2) (my|1/2,0,3/2) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,1) (1|0,0,1)' (4z|1/2,0,1/2)' (4z-1|0,1/2,3/2)' (2x|0,1/2,1/2)' (2y|1/2,0,3/2)' (2z|1/2,1/2,0)' (2xy|0,0,0)' (2-xy|1/2,1/2,1)' (-1|0,0,0)' (-4z|1/2,0,3/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,3/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,1)' (mxy|0,0,1)' (m-xy|1/2,1/2,0)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 64n (x,y,z;mx,my,mz) (-y+1/2,x,z+3/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+3/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (y,x,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z+1;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+3/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+3/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+3/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+3/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+3/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+3/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z+1;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 32m (x,-x,z;mx,mx,0) (x+1/2,x,z+3/2;-mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+3/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1;-mx,-mx,0) (-x,x,-z+1;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (x,-x,z+1;-mx,-mx,0) (x+1/2,x,z+1/2;mx,-mx,0) (-x,-x+1/2,z+3/2;-mx,mx,0) (x,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+3/2;mx,-mx,0) (-x+1/2,x+1/2,z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (x+1/2,-x+1/2,-z+1;mx,mx,0) 32l (x,x,1/2;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,1;mx,-mx,0) (-x+1/2,-x+1/2,-1/2;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x+1/2,-x,2;-mx,mx,0) (-x,x+1/2,1;mx,-mx,0) (x+1/2,x+1/2,3/2;-mx,-mx,0) (x,x,3/2;-mx,-mx,0) (-x+1/2,x,1;mx,-mx,0) (x,-x+1/2,2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (-x,-x,-1/2;-mx,-mx,0) (x+1/2,-x,1;mx,-mx,0) (-x,x+1/2,0;-mx,mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) 32k (x,x,0;mx,-mx,mz) (-x+1/2,x,3/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x,-x+1/2,3/2;mx,mx,-mz) (-x+1/2,x,1/2;-mx,-mx,-mz) (-x+1/2,-x+1/2,1;-mx,mx,mz) (x,x,1;-mx,mx,-mz) (-x+1/2,-x+1/2,0;mx,-mx,-mz) (-x,-x,1;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,3/2;-mx,-mx,mz) (-x,x+1/2,1/2;mx,mx,-mz) (x+1/2,-x,3/2;-mx,-mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) (-x,-x,0;-mx,mx,-mz) (x+1/2,x+1/2,1;mx,-mx,-mz) 32j (x,1/4,1/4;0,my,mz) (1/4,x,7/4;-my,0,mz) (1/4,-x+1/2,3/4;my,0,mz) (x,1/4,5/4;0,-my,-mz) (-x+1/2,1/4,1/4;0,my,-mz) (-x+1/2,1/4,5/4;0,-my,mz) (1/4,x,3/4;my,0,-mz) (1/4,-x+1/2,-1/4;-my,0,-mz) (-x,-1/4,3/4;0,my,mz) (3/4,-x,1/4;-my,0,mz) (-1/4,x+1/2,5/4;my,0,mz) (-x,3/4,3/4;0,-my,-mz) (x+1/2,-1/4,7/4;0,my,-mz) (x+1/2,3/4,-1/4;0,-my,mz) (-1/4,-x,1/4;my,0,-mz) (3/4,x+1/2,5/4;-my,0,-mz) 32i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,-3/4;0,-mx,0) (-x+1/2,1/4,7/4;-mx,0,0) (-x,-1/4,1/4;mx,0,0) (-1/4,-x,3/4;0,mx,0) (3/4,x+1/2,7/4;0,-mx,0) (x+1/2,3/4,-3/4;-mx,0,0) (x,1/4,7/4;-mx,0,0) (1/4,x,-3/4;0,-mx,0) (1/4,-x+1/2,1/4;0,mx,0) (-x+1/2,1/4,3/4;mx,0,0) (-x,-1/4,-3/4;-mx,0,0) (-1/4,-x,7/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,1/4;mx,0,0) 32h (1/4,1/4,z;mx,my,0) (1/4,1/4,z+3/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,1/4,-z+3/2;mx,-my,0) (1/4,1/4,-z+1/2;-mx,my,0) (1/4,1/4,z+1;-mx,-my,0) (1/4,1/4,-z+1;my,mx,0) (1/4,1/4,-z;-my,-mx,0) (-1/4,-1/4,-z+1;mx,my,0) (3/4,-1/4,-z+1/2;-my,mx,0) (-1/4,3/4,-z+3/2;my,-mx,0) (-1/4,3/4,z+1/2;mx,-my,0) (3/4,-1/4,z+3/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) (-1/4,-1/4,z;my,mx,0) (3/4,3/4,z+1;-my,-mx,0) 16g (3/4,1/4,z;0,0,0) (1/4,3/4,z+3/2;0,0,0) (-1/4,1/4,-z+1/2;0,0,0) (1/4,-1/4,-z;0,0,0) (3/4,1/4,z+1;0,0,0) (1/4,3/4,z+1/2;0,0,0) (-1/4,1/4,-z+3/2;0,0,0) (1/4,-1/4,-z+1;0,0,0) 16f (0,0,0;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) (1/2,1/2,0;0,0,0) 16e (0,0,1/2;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,1;mx,-mx,0) (1/2,1/2,-1/2;-mx,-mx,0) (0,0,3/2;-mx,-mx,0) (1/2,0,1;mx,-mx,0) (0,1/2,2;-mx,mx,0) (1/2,1/2,1/2;mx,mx,0) 16d (1/4,1/4,0;mx,-mx,0) (1/4,1/4,3/2;mx,mx,0) (1/4,1/4,1/2;-mx,-mx,0) (1/4,1/4,1;-mx,mx,0) (-1/4,-1/4,1;mx,-mx,0) (3/4,-1/4,1/2;mx,mx,0) (3/4,-1/4,3/2;-mx,-mx,0) (-1/4,-1/4,0;-mx,mx,0) 16c (1/4,1/4,1/4;0,my,0) (1/4,1/4,-1/4;-my,0,0) (1/4,1/4,3/4;my,0,0) (1/4,1/4,5/4;0,-my,0) (-1/4,-1/4,3/4;0,my,0) (3/4,3/4,5/4;-my,0,0) (-1/4,-1/4,1/4;my,0,0) (3/4,3/4,-1/4;0,-my,0) 8b (3/4,1/4,1/4;0,0,0) (1/4,3/4,7/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) 8a (1/4,3/4,1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (1/4,3/4,5/4;0,0,0) (-1/4,1/4,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (2z|0,1/2,0) (2y|0,1/2,0) (2x|0,0,0) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) (mz|0,1/2,0) (my|0,1/2,0) (mx|0,0,0) (1|0,0,1/2)' (4z|3/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2z|0,1/2,1/2)' (2y|1/2,0,0)' (2x|1/2,1/2,0)' (-1|1/2,1/2,0)' (-4z|3/4,1/4,1/4)' (-4z-1|1/4,1/4,1/4)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (mz|1/2,0,0)' (my|0,1/2,1/2)' (mx|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 64n (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (y+3/4,x+1/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+3/4;-my,-mx,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x,y+1/2,-z;-mx,my,-mz) (x,-y,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-y+1/4,-x+3/4,z+1/4;my,mx,-mz) (y+3/4,x+3/4,z+1/4;-my,-mx,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z;-mx,my,-mz) (-x,y,z;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+3/4,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+1/4;-my,mx,-mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+1/4;-my,mx,-mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) (x+1/2,y,-z;mx,my,-mz) (x,-y+1/2,z+1/2;mx,-my,mz) (-x,y,z+1/2;-mx,my,mz) 32m (x,3/4,z;0,my,0) (1/2,x+3/4,z+1/4;-my,0,0) (1/2,-x+3/4,z+1/4;my,0,0) (1/2,x+1/4,-z+3/4;my,0,0) (1/2,-x+1/4,-z+3/4;-my,0,0) (-x,3/4,z;0,-my,0) (-x,1/4,-z;0,my,0) (x,1/4,-z;0,-my,0) (x,3/4,z+1/2;0,-my,0) (0,x+1/4,z+1/4;my,0,0) (0,-x+1/4,z+1/4;-my,0,0) (1/2,x+1/4,-z+1/4;-my,0,0) (1/2,-x+1/4,-z+1/4;my,0,0) (-x,3/4,z+1/2;0,my,0) (-x+1/2,3/4,-z;0,-my,0) (x+1/2,3/4,-z;0,my,0) 32l (3/4,y,3/4;0,my,0) (-y+1/4,1/2,0;-my,0,0) (y+3/4,0,0;my,0,0) (3/4,-y,1/4;0,-my,0) (1/4,-y,1/4;0,my,0) (y+3/4,1/2,0;-my,0,0) (-y+1/4,0,0;my,0,0) (1/4,y,3/4;0,-my,0) (3/4,y,1/4;0,-my,0) (-y+1/4,1/2,1/2;my,0,0) (y+1/4,1/2,0;-my,0,0) (1/4,-y+1/2,1/4;0,my,0) (3/4,-y+1/2,1/4;0,-my,0) (y+1/4,0,0;my,0,0) (-y+1/4,0,1/2;-my,0,0) (1/4,y,1/4;0,my,0) 32k (3/4,y,1/2;mx,0,mz) (-y+1/4,1/2,3/4;0,mx,mz) (y+3/4,0,3/4;0,-mx,mz) (y+3/4,0,1/4;0,mx,-mz) (-y+1/4,1/2,1/4;0,-mx,-mz) (1/4,-y+1/2,1/2;-mx,0,mz) (1/4,y+1/2,1/2;-mx,0,-mz) (3/4,-y,1/2;mx,0,-mz) (1/4,-y,1/2;mx,0,mz) (y+3/4,1/2,1/4;0,mx,mz) (-y+1/4,0,1/4;0,-mx,mz) (-y+1/4,0,3/4;0,mx,-mz) (y+3/4,1/2,3/4;0,-mx,-mz) (3/4,y+1/2,1/2;-mx,0,mz) (3/4,-y+1/2,1/2;-mx,0,-mz) (1/4,y,1/2;mx,0,-mz) 32j (x,x+1/4,5/8;mx,-mx,mz) (-x,x+3/4,7/8;mx,mx,mz) (x,-x+3/4,7/8;-mx,-mx,mz) (x,x+1/4,1/8;-mx,mx,-mz) (-x,-x+1/4,1/8;mx,-mx,-mz) (-x,-x+1/4,5/8;-mx,mx,mz) (-x,x+3/4,3/8;-mx,-mx,-mz) (x,-x+3/4,3/8;mx,mx,-mz) (-x,-x+3/4,3/8;mx,-mx,mz) (x,-x+1/4,1/8;mx,mx,mz) (-x,x+1/4,1/8;-mx,-mx,mz) (-x,-x+3/4,7/8;-mx,mx,-mz) (x,x+3/4,7/8;mx,-mx,-mz) (x,x+3/4,3/8;-mx,mx,mz) (x,-x+1/4,5/8;-mx,-mx,-mz) (-x,x+1/4,5/8;mx,mx,-mz) 32i (x,x+1/4,7/8;mx,mx,0) (-x,x+3/4,1/8;-mx,mx,0) (x,-x+3/4,1/8;mx,-mx,0) (-x,-x+1/4,7/8;-mx,-mx,0) (-x,-x+3/4,1/8;mx,mx,0) (x,-x+1/4,7/8;-mx,mx,0) (-x,x+1/4,7/8;mx,-mx,0) (x,x+3/4,1/8;-mx,-mx,0) (x,x+1/4,3/8;-mx,-mx,0) (-x+1/2,x+1/4,1/8;mx,-mx,0) (x+1/2,-x+1/4,1/8;-mx,mx,0) (-x,-x+1/4,3/8;mx,mx,0) (-x+1/2,-x+1/4,1/8;-mx,-mx,0) (x,-x+1/4,3/8;mx,-mx,0) (-x,x+1/4,3/8;-mx,mx,0) (x+1/2,x+1/4,1/8;mx,mx,0) 32h (3/4,0,z;mx,my,0) (1/4,1/2,z+1/4;-my,mx,0) (3/4,0,z+1/4;my,-mx,0) (3/4,0,-z+3/4;my,mx,0) (1/4,1/2,-z+3/4;-my,-mx,0) (1/4,1/2,z;-mx,-my,0) (1/4,1/2,-z;-mx,my,0) (3/4,0,-z;mx,-my,0) (1/4,0,-z;mx,my,0) (3/4,1/2,-z+3/4;-my,mx,0) (1/4,0,-z+3/4;my,-mx,0) (1/4,0,z+1/4;my,mx,0) (3/4,1/2,z+1/4;-my,-mx,0) (3/4,1/2,-z;-mx,-my,0) (3/4,1/2,z;-mx,my,0) (1/4,0,z;mx,-my,0) 16g (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,1/4,-z+3/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,z+1/2;0,0,0) (1/2,1/4,z+1/4;0,0,0) (0,1/4,-z+1/4;0,0,0) (1/2,1/4,-z;0,0,0) 16f (3/4,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 16e (3/4,3/4,3/4;0,my,0) (1/2,1/2,0;-my,0,0) (1/2,0,0;my,0,0) (3/4,1/4,1/4;0,-my,0) (3/4,3/4,1/4;0,-my,0) (1/2,1/2,1/2;my,0,0) (0,1/2,0;-my,0,0) (1/4,3/4,1/4;0,my,0) 16d (3/4,0,1/2;mx,0,0) (1/4,1/2,3/4;0,mx,0) (1/4,1/2,1/4;0,-mx,0) (1/4,1/2,1/2;-mx,0,0) (1/4,0,1/2;mx,0,0) (3/4,1/2,1/4;0,mx,0) (3/4,1/2,3/4;0,-mx,0) (3/4,1/2,1/2;-mx,0,0) 16c (3/4,0,5/8;mx,-mx,0) (3/4,0,3/8;mx,mx,0) (1/4,1/2,3/8;-mx,-mx,0) (1/4,1/2,5/8;-mx,mx,0) (1/4,0,3/8;mx,-mx,0) (1/4,0,5/8;mx,mx,0) (3/4,1/2,5/8;-mx,-mx,0) (3/4,1/2,3/8;-mx,mx,0) 8b (0,1/4,5/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) 8a (1/2,1/4,5/8;0,0,0) (1/2,3/4,3/8;0,0,0) (1/2,1/4,1/8;0,0,0) (0,1/4,3/8;0,0,0) ---------- OG: 134.11.1142 P_I4_2/nn'm' UNI: 142.570 I4_1/acd.1'_c[rP4_2/nnm] BNS: 142.570 I_c4_1/acd OG-BNS transformation: (1/2,0,-1;a-b,a+b,2c) Operators (OG): (1|0,0,0) (4z|1/2,0,3/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,3/2) (2z|1/2,1/2,1) (2xy|0,0,0) (2-xy|1/2,1/2,1) (-1|0,0,1) (-4z|1/2,0,1/2) (-4z-1|0,1/2,3/2) (mx|0,1/2,3/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1) (m-xy|1/2,1/2,0) (1|0,0,1)' (4z|1/2,0,1/2)' (4z-1|0,1/2,3/2)' (2x|0,1/2,3/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (2xy|0,0,1)' (2-xy|1/2,1/2,0)' (-1|0,0,0)' (-4z|1/2,0,3/2)' (-4z-1|0,1/2,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,3/2)' (mz|1/2,1/2,1)' (mxy|0,0,0)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,2)+ (1,0,1)+ 64n (x,y,z;mx,my,mz) (-y+1/2,x,z+3/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+3/2;-mx,my,-mz) (-x+1/2,-y+1/2,z+1;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z+1;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+3/2;my,-mx,mz) (-x,y+1/2,z+3/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+3/2;-my,mx,-mz) (x,-y+1/2,-z+3/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;mx,my,-mz) (y,x,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+3/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+3/2;mx,-my,mz) (x+1/2,y+1/2,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 32m (x,-x,z;mx,-mx,mz) (x+1/2,x,z+3/2;mx,mx,mz) (-x,-x+1/2,z+1/2;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+3/2;-mx,-mx,-mz) (-x+1/2,x+1/2,z+1;-mx,mx,mz) (-x,x,-z;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1;mx,-mx,-mz) (-x,x,-z+1;mx,-mx,mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x,x+1/2,-z+3/2;-mx,-mx,mz) (-x,-x+1/2,z+3/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) (x+1/2,-x+1/2,-z;-mx,mx,mz) (x,-x,z+1;-mx,mx,-mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) 32l (x,x,1/2;mx,-mx,mz) (-x+1/2,x,2;mx,mx,mz) (x,-x+1/2,1;-mx,-mx,mz) (x,-x+1/2,0;mx,mx,-mz) (-x+1/2,x,1;-mx,-mx,-mz) (-x+1/2,-x+1/2,3/2;-mx,mx,mz) (x,x,-1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,1/2;mx,-mx,-mz) (-x,-x,1/2;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,1;-mx,-mx,mz) (-x,x+1/2,2;mx,mx,-mz) (x+1/2,-x,1;-mx,-mx,-mz) (x+1/2,x+1/2,-1/2;-mx,mx,mz) (-x,-x,3/2;-mx,mx,-mz) (x+1/2,x+1/2,1/2;mx,-mx,-mz) 32k (x,x,0;mx,mx,0) (-x+1/2,x,3/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1;-mx,-mx,0) (-x,-x,1;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,3/2;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x,x,1;-mx,-mx,0) (-x+1/2,x,1/2;mx,-mx,0) (x,-x+1/2,3/2;-mx,mx,0) (-x+1/2,-x+1/2,0;mx,mx,0) (-x,-x,0;-mx,-mx,0) (x+1/2,-x,3/2;mx,-mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x+1/2,x+1/2,1;mx,mx,0) 32j (x,1/4,1/4;mx,0,0) (1/4,x,-1/4;0,mx,0) (1/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,1/4,5/4;-mx,0,0) (-x,-1/4,3/4;mx,0,0) (-1/4,-x,5/4;0,mx,0) (3/4,x+1/2,1/4;0,-mx,0) (x+1/2,3/4,-1/4;-mx,0,0) (x,1/4,5/4;-mx,0,0) (1/4,x,3/4;0,-mx,0) (1/4,-x+1/2,-1/4;0,mx,0) (-x+1/2,1/4,1/4;mx,0,0) (-x,-1/4,-1/4;-mx,0,0) (-1/4,-x,1/4;0,-mx,0) (3/4,x+1/2,5/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 32i (x,1/4,3/4;0,my,mz) (1/4,x,9/4;-my,0,mz) (1/4,-x+1/2,5/4;my,0,mz) (x,1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,3/4;0,my,-mz) (-x+1/2,1/4,7/4;0,-my,mz) (1/4,x,-3/4;my,0,-mz) (1/4,-x+1/2,1/4;-my,0,-mz) (-x,-1/4,1/4;0,my,mz) (3/4,-x,-1/4;-my,0,mz) (-1/4,x+1/2,3/4;my,0,mz) (-x,3/4,9/4;0,-my,-mz) (x+1/2,-1/4,5/4;0,my,-mz) (x+1/2,3/4,-3/4;0,-my,mz) (-1/4,-x,7/4;my,0,-mz) (3/4,x+1/2,3/4;-my,0,-mz) 32h (1/4,1/4,z;mx,my,0) (1/4,1/4,z+3/2;-my,mx,0) (1/4,1/4,z+1/2;my,-mx,0) (1/4,1/4,-z+1/2;mx,-my,0) (1/4,1/4,-z+3/2;-mx,my,0) (1/4,1/4,z+1;-mx,-my,0) (1/4,1/4,-z;my,mx,0) (1/4,1/4,-z+1;-my,-mx,0) (-1/4,-1/4,-z+1;mx,my,0) (3/4,-1/4,-z+1/2;-my,mx,0) (-1/4,3/4,-z+3/2;my,-mx,0) (-1/4,3/4,z+3/2;mx,-my,0) (3/4,-1/4,z+1/2;-mx,my,0) (3/4,3/4,-z;-mx,-my,0) (-1/4,-1/4,z+1;my,mx,0) (3/4,3/4,z;-my,-mx,0) 16g (3/4,1/4,z;0,0,mz) (1/4,3/4,z+3/2;0,0,mz) (-1/4,1/4,-z+3/2;0,0,-mz) (1/4,-1/4,-z+1;0,0,-mz) (-3/4,-1/4,-z+1;0,0,mz) (3/4,-3/4,-z+1/2;0,0,mz) (5/4,-1/4,z+1/2;0,0,-mz) (3/4,5/4,z;0,0,-mz) 16f (0,0,0;0,0,0) (1/2,0,3/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,3/2;0,0,0) (1/2,1/2,0;0,0,0) 16e (0,0,1/2;mx,-mx,mz) (1/2,0,2;mx,mx,mz) (0,1/2,1;-mx,-mx,mz) (0,1/2,0;mx,mx,-mz) (1/2,0,1;-mx,-mx,-mz) (1/2,1/2,3/2;-mx,mx,mz) (0,0,-1/2;-mx,mx,-mz) (1/2,1/2,1/2;mx,-mx,-mz) 16d (1/4,1/4,0;mx,mx,0) (1/4,1/4,3/2;-mx,mx,0) (1/4,1/4,1/2;mx,-mx,0) (1/4,1/4,1;-mx,-mx,0) (-1/4,-1/4,1;mx,mx,0) (3/4,-1/4,1/2;-mx,mx,0) (-1/4,3/4,3/2;mx,-mx,0) (3/4,3/4,0;-mx,-mx,0) 16c (1/4,1/4,1/4;mx,0,0) (1/4,1/4,-1/4;0,mx,0) (1/4,1/4,3/4;0,-mx,0) (1/4,1/4,5/4;-mx,0,0) (-1/4,-1/4,3/4;mx,0,0) (-1/4,-1/4,5/4;0,mx,0) (3/4,3/4,1/4;0,-mx,0) (3/4,3/4,-1/4;-mx,0,0) 8b (3/4,1/4,1/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (-3/4,-1/4,3/4;0,0,0) (3/4,5/4,1/4;0,0,0) 8a (1/4,3/4,1/4;0,0,mz) (-1/4,1/4,7/4;0,0,mz) (1/4,3/4,5/4;0,0,-mz) (-1/4,1/4,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2z|0,1/2,0) (2y|1/2,0,0) (2x|1/2,1/2,0) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (mz|0,1/2,0) (my|0,1/2,1/2) (mx|0,0,1/2) (1|0,0,1/2)' (4z|3/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (2z|0,1/2,1/2)' (2y|0,1/2,0)' (2x|0,0,0)' (-1|1/2,1/2,0)' (-4z|3/4,1/4,1/4)' (-4z-1|1/4,1/4,1/4)' (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' (mz|1/2,0,0)' (my|0,1/2,0)' (mx|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (1/2,1/2,1/2)+ 64n (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x,-y+1/2,z;-mx,-my,mz) (-x+1/2,y,-z;-mx,my,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) (x,y+1/2,-z;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y+3/4,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+1/4;-my,mx,-mz) (y+3/4,x+1/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+3/4;my,mx,mz) (-x,-y+1/2,z+1/2;mx,my,-mz) (-x,y+1/2,-z;mx,-my,mz) (x,-y,-z;-mx,my,mz) (-x+1/2,-y+1/2,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+1/4;-my,mx,-mz) (-y+1/4,-x+3/4,z+1/4;-my,-mx,mz) (y+3/4,x+3/4,z+1/4;my,mx,mz) (x+1/2,y,-z;mx,my,-mz) (x,-y+1/2,z;mx,-my,mz) (-x,y,z;-mx,my,mz) 32m (x,3/4,z;mx,0,mz) (1/2,x+3/4,z+1/4;0,mx,mz) (1/2,-x+3/4,z+1/4;0,-mx,mz) (1/2,x+1/4,-z+1/4;0,mx,-mz) (1/2,-x+1/4,-z+1/4;0,-mx,-mz) (-x,3/4,z;-mx,0,mz) (-x+1/2,3/4,-z;-mx,0,-mz) (x+1/2,3/4,-z;mx,0,-mz) (-x,1/4,-z;mx,0,mz) (1/2,-x+1/4,-z+3/4;0,mx,mz) (1/2,x+1/4,-z+3/4;0,-mx,mz) (0,-x+1/4,z+1/4;0,mx,-mz) (0,x+1/4,z+1/4;0,-mx,-mz) (x,1/4,-z;-mx,0,mz) (x,3/4,z+1/2;-mx,0,-mz) (-x,3/4,z+1/2;mx,0,-mz) 32l (3/4,y,3/4;mx,0,mz) (-y+1/4,1/2,0;0,mx,mz) (y+3/4,0,0;0,-mx,mz) (y+3/4,0,1/2;0,mx,-mz) (-y+1/4,1/2,1/2;0,-mx,-mz) (1/4,-y+1/2,3/4;-mx,0,mz) (3/4,y,1/4;-mx,0,-mz) (1/4,-y+1/2,1/4;mx,0,-mz) (1/4,-y,1/4;mx,0,mz) (y+3/4,1/2,0;0,mx,mz) (-y+1/4,0,0;0,-mx,mz) (-y+3/4,1/2,0;0,mx,-mz) (y+1/4,0,0;0,-mx,-mz) (3/4,y+1/2,1/4;-mx,0,mz) (3/4,-y+1/2,1/4;-mx,0,-mz) (1/4,y,1/4;mx,0,-mz) 32k (3/4,y,1/2;0,my,0) (-y+1/4,1/2,3/4;-my,0,0) (y+3/4,0,3/4;my,0,0) (1/4,-y+1/2,1/2;0,-my,0) (1/4,-y,1/2;0,my,0) (y+1/4,0,3/4;-my,0,0) (-y+1/4,0,1/4;my,0,0) (1/4,y,0;0,-my,0) (3/4,y,0;0,-my,0) (-y+1/4,1/2,1/4;my,0,0) (y+1/4,1/2,3/4;-my,0,0) (3/4,-y,1/2;0,my,0) (3/4,-y+1/2,1/2;0,-my,0) (y+3/4,1/2,3/4;my,0,0) (-y+1/4,0,3/4;-my,0,0) (1/4,y,1/2;0,my,0) 32j (x,x+1/4,5/8;mx,mx,0) (-x+1/2,x+1/4,3/8;-mx,mx,0) (x+1/2,-x+1/4,3/8;mx,-mx,0) (-x,-x+1/4,5/8;-mx,-mx,0) (-x,-x+3/4,3/8;mx,mx,0) (x,-x+1/4,1/8;-mx,mx,0) (-x,x+1/4,1/8;mx,-mx,0) (x,x+3/4,3/8;-mx,-mx,0) (x,x+1/4,1/8;-mx,-mx,0) (-x,x+3/4,3/8;mx,-mx,0) (x,-x+3/4,3/8;-mx,mx,0) (-x,-x+1/4,1/8;mx,mx,0) (-x+1/2,-x+1/4,3/8;-mx,-mx,0) (x,-x+1/4,5/8;mx,-mx,0) (-x,x+1/4,5/8;-mx,mx,0) (x+1/2,x+1/4,3/8;mx,mx,0) 32i (x,x+1/4,7/8;mx,-mx,mz) (-x,x+3/4,1/8;mx,mx,mz) (x,-x+3/4,1/8;-mx,-mx,mz) (x,x+1/4,3/8;-mx,mx,-mz) (-x,-x+1/4,3/8;mx,-mx,-mz) (-x,-x+1/4,7/8;-mx,mx,mz) (-x+1/2,x+1/4,1/8;-mx,-mx,-mz) (x+1/2,-x+1/4,1/8;mx,mx,-mz) (-x,-x+3/4,1/8;mx,-mx,mz) (x,-x+1/4,7/8;mx,mx,mz) (-x,x+1/4,7/8;-mx,-mx,mz) (-x+1/2,-x+1/4,1/8;-mx,mx,-mz) (x+1/2,x+1/4,1/8;mx,-mx,-mz) (x,x+3/4,1/8;-mx,mx,mz) (x,-x+1/4,3/8;-mx,-mx,-mz) (-x,x+1/4,3/8;mx,mx,-mz) 32h (3/4,0,z;mx,my,0) (1/4,1/2,z+1/4;-my,mx,0) (3/4,0,z+1/4;my,-mx,0) (3/4,0,-z+1/4;my,mx,0) (1/4,1/2,-z+1/4;-my,-mx,0) (1/4,1/2,z;-mx,-my,0) (3/4,0,-z;-mx,my,0) (1/4,1/2,-z;mx,-my,0) (1/4,0,-z;mx,my,0) (3/4,1/2,-z+3/4;-my,mx,0) (1/4,0,-z+3/4;my,-mx,0) (3/4,1/2,z+1/4;my,mx,0) (1/4,0,z+1/4;-my,-mx,0) (3/4,1/2,-z;-mx,-my,0) (3/4,1/2,z+1/2;-mx,my,0) (1/4,0,z+1/2;mx,-my,0) 16g (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (0,1/4,-z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,mz) (1/2,1/4,z+1/4;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) 16f (3/4,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (0,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/4,3/4,0;0,0,0) 16e (3/4,3/4,3/4;mx,0,mz) (1/2,1/2,0;0,mx,mz) (1/2,0,0;0,-mx,mz) (1/2,0,1/2;0,mx,-mz) (1/2,1/2,1/2;0,-mx,-mz) (1/4,3/4,3/4;-mx,0,mz) (3/4,3/4,1/4;-mx,0,-mz) (1/4,3/4,1/4;mx,0,-mz) 16d (3/4,0,1/2;0,my,0) (1/4,1/2,3/4;-my,0,0) (3/4,0,3/4;my,0,0) (1/4,1/2,1/2;0,-my,0) (1/4,0,1/2;0,my,0) (1/4,0,3/4;-my,0,0) (1/4,0,1/4;my,0,0) (1/4,0,0;0,-my,0) 16c (3/4,0,5/8;mx,mx,0) (3/4,0,3/8;-mx,mx,0) (1/4,1/2,3/8;mx,-mx,0) (1/4,1/2,5/8;-mx,-mx,0) (1/4,0,3/8;mx,mx,0) (3/4,1/2,1/8;-mx,mx,0) (1/4,0,1/8;mx,-mx,0) (3/4,1/2,3/8;-mx,-mx,0) 8b (0,1/4,5/8;0,0,0) (1/2,1/4,3/8;0,0,0) (0,3/4,3/8;0,0,0) (0,1/4,1/8;0,0,0) 8a (1/2,1/4,5/8;0,0,mz) (0,1/4,7/8;0,0,mz) (0,3/4,5/8;0,0,-mz) (0,1/4,3/8;0,0,-mz) ---------- OG: 135.1.1143 P4_2/mbc UNI: 135.483 P4_2/mbc.1 BNS: 135.483 P4_2/mbc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,-mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 135.2.1144 P4_2/mbc1' UNI: 135.484 P4_2/mbc.1' BNS: 135.484 P4_2/mbc1' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|0,0,0)' (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;0,0,0) (-y,x,z+1/2;0,0,0) (y,-x,z+1/2;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y+1/2,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z+1/2;0,0,0) (-y,x,-z+1/2;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x+1/2,-y+1/2,z;0,0,0) (x,y,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) 8h (x,y,0;0,0,0) (-y,x,1/2;0,0,0) (y,-x,1/2;0,0,0) (x+1/2,-y+1/2,0;0,0,0) (-x+1/2,y+1/2,0;0,0,0) (-x,-y,0;0,0,0) (y+1/2,x+1/2,1/2;0,0,0) (-y+1/2,-x+1/2,1/2;0,0,0) 8g (x,x+1/2,1/4;0,0,0) (-x+1/2,x,3/4;0,0,0) (x+1/2,-x,3/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (-x,-x+1/2,3/4;0,0,0) (x+1/2,-x,1/4;0,0,0) (-x+1/2,x,1/4;0,0,0) (x,x+1/2,3/4;0,0,0) 8f (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) 8e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 135.3.1145 P4_2/m'bc UNI: 135.485 P4_2/m'bc BNS: 135.485 P4_2/m'bc Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (-x+1/2,x,1/4;mx,mx,-mz) (x,x+1/2,3/4;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 135.4.1146 P4_2'/mb'c UNI: 135.486 P4_2'/mb'c BNS: 135.486 P4_2'/mb'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 135.5.1147 P4_2'/mbc' UNI: 135.487 P4_2'/mbc' BNS: 135.487 P4_2'/mbc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;0,0,mz) (-y,x,1/2;0,0,-mz) (y,-x,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (x+1/2,-x,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,1/4;-mx,-mx,-mz) (-x+1/2,x,1/4;mx,mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) (0,1/2,1/2;0,0,mz) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 135.6.1148 P4_2'/m'b'c UNI: 135.488 P4_2'/m'b'c BNS: 135.488 P4_2'/m'b'c Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) 8h (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;-my,-mx,0) (-y+1/2,-x+1/2,1/2;my,mx,0) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;-mx,-mx,-mz) (x+1/2,-x,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1/2,-x,1/4;mx,mx,mz) (-x+1/2,x,1/4;-mx,-mx,mz) (x,x+1/2,3/4;mx,-mx,-mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 135.7.1149 P4_2/mb'c' UNI: 135.489 P4_2/mb'c' BNS: 135.489 P4_2/mb'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 8g (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,mz) (-x+1/2,x,1/4;-mx,-mx,mz) (x,x+1/2,3/4;-mx,mx,mz) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,mz) 4b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (1/2,1/2,1/4;0,0,mz) 4a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 135.8.1150 P4_2'/m'bc' UNI: 135.490 P4_2'/m'bc' BNS: 135.490 P4_2'/m'bc' Operators: (1|0,0,0) (4z|0,0,1/2)' (4z-1|0,0,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;my,-mx,-mz) (y,-x,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;mx,my,0) (-y,x,1/2;my,-mx,0) (y,-x,1/2;-my,mx,0) (x+1/2,-y+1/2,0;-mx,my,0) (-x+1/2,y+1/2,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) (1/2,1/2,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 135.9.1151 P4_2/m'b'c' UNI: 135.491 P4_2/m'b'c' BNS: 135.491 P4_2/m'b'c' Operators: (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0)' (-4z|0,0,1/2)' (-4z-1|0,0,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16i (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z+1/2;my,-mx,-mz) (-y,x,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 8h (x,y,0;mx,my,0) (-y,x,1/2;-my,mx,0) (y,-x,1/2;my,-mx,0) (x+1/2,-y+1/2,0;mx,-my,0) (-x+1/2,y+1/2,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) 8g (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,x+1/2,3/4;mx,mx,0) 8f (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) 8e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (1/2,1/2,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) 4b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) 4a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.1.1152 P4_2/mnm UNI: 136.495 P4_2/mnm.1 BNS: 136.495 P4_2/mnm Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8i (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 4g (x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) 4f (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.2.1153 P4_2/mnm1' UNI: 136.496 P4_2/mnm.1' BNS: 136.496 P4_2/mnm1' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x+1/2,-z+1/2;0,0,0) (-x+1/2,y+1/2,z+1/2;0,0,0) (x+1/2,-y+1/2,z+1/2;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 8j (x,x,z;0,0,0) (-x+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-x+1/2,z+1/2;0,0,0) (x+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,x+1/2,-z+1/2;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) 8i (x,y,0;0,0,0) (-y+1/2,x+1/2,1/2;0,0,0) (y+1/2,-x+1/2,1/2;0,0,0) (x+1/2,-y+1/2,1/2;0,0,0) (-x+1/2,y+1/2,1/2;0,0,0) (-x,-y,0;0,0,0) (y,x,0;0,0,0) (-y,-x,0;0,0,0) 8h (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,0,z;0,0,0) 4g (x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) 4f (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.3.1154 P4_2/m'nm UNI: 136.497 P4_2/m'nm BNS: 136.497 P4_2/m'nm Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8i (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 4g (x,-x,0;mx,mx,0) (x+1/2,x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,x,0;-mx,-mx,0) 4f (x,x,0;mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,-x,0;-mx,mx,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.4.1155 P4_2'/mn'm UNI: 136.498 P4_2'/mn'm BNS: 136.498 P4_2'/mn'm Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8i (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 4g (x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) 4f (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.5.1156 P4_2'/mnm' UNI: 136.499 P4_2'/mnm' BNS: 136.499 P4_2'/mnm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8i (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4g (x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) (-x,x,0;0,0,mz) 4f (x,x,0;0,0,mz) (-x+1/2,x+1/2,1/2;0,0,-mz) (x+1/2,-x+1/2,1/2;0,0,-mz) (-x,-x,0;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 136.6.1157 P4_2'/m'n'm UNI: 136.500 P4_2'/m'n'm BNS: 136.500 P4_2'/m'n'm Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8j (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8i (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,-mz) 4g (x,-x,0;mx,mx,0) (x+1/2,x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,x,0;-mx,-mx,0) 4f (x,x,0;mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,1/2;mx,mx,0) (-x,-x,0;-mx,mx,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,-mz) (1/2,0,3/4;0,0,mz) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.7.1158 P4_2/mn'm' UNI: 136.501 P4_2/mn'm' BNS: 136.501 P4_2/mn'm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8i (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 4g (x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,mz) (-x+1/2,-x+1/2,1/2;0,0,mz) (-x,x,0;0,0,mz) 4f (x,x,0;0,0,mz) (-x+1/2,x+1/2,1/2;0,0,mz) (x+1/2,-x+1/2,1/2;0,0,mz) (-x,-x,0;0,0,mz) 4e (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) ---------- OG: 136.8.1159 P4_2'/m'nm' UNI: 136.502 P4_2'/m'nm' BNS: 136.502 P4_2'/m'nm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8i (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,mz) 4g (x,-x,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (-x,x,0;-mx,mx,0) 4f (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 4e (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) (1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 136.9.1160 P4_2/m'n'm' UNI: 136.503 P4_2/m'n'm' BNS: 136.503 P4_2/m'n'm' Operators: (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16k (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8j (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8i (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 8h (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (1/2,0,z;0,0,mz) 4g (x,-x,0;mx,-mx,0) (x+1/2,x+1/2,1/2;mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (-x,x,0;-mx,mx,0) 4f (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 4e (0,0,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 137.1.1161 P4_2/nmc UNI: 137.507 P4_2/nmc.1 BNS: 137.507 P4_2/nmc Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8g (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1/2;0,mx,0) (y,1/4,z+1/2;0,-mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1/2;0,mx,0) (-y,3/4,-z+1/2;0,-mx,0) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,3/4;mx,mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x,x+1/2,1/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;-my,mx,mz) (0,1/2,1/2;my,-mx,mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;my,mx,-mz) (0,0,1/2;-my,-mx,-mz) 4d (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4c (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.2.1162 P4_2/nmc1' UNI: 137.508 P4_2/nmc.1' BNS: 137.508 P4_2/nmc1' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;0,0,0) (-y+1/2,x,z+1/2;0,0,0) (y,-x+1/2,z+1/2;0,0,0) (x+1/2,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z+1/2;0,0,0) (-y,x+1/2,-z+1/2;0,0,0) (-x+1/2,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 8g (1/4,y,z;0,0,0) (-y+1/2,1/4,z+1/2;0,0,0) (y,1/4,z+1/2;0,0,0) (3/4,-y,-z;0,0,0) (3/4,y+1/2,-z;0,0,0) (1/4,-y+1/2,z;0,0,0) (y+1/2,3/4,-z+1/2;0,0,0) (-y,3/4,-z+1/2;0,0,0) 8f (x,-x,1/4;0,0,0) (x+1/2,x,3/4;0,0,0) (-x,-x+1/2,3/4;0,0,0) (-x+1/2,x+1/2,1/4;0,0,0) (-x,x,3/4;0,0,0) (-x+1/2,-x,1/4;0,0,0) (x,x+1/2,1/4;0,0,0) (x+1/2,-x+1/2,3/4;0,0,0) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4d (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4c (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.3.1163 P4_2/n'mc UNI: 137.509 P4_2/n'mc BNS: 137.509 P4_2/n'mc Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8g (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1/2;0,mx,0) (y,1/4,z+1/2;0,-mx,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1/2;0,-mx,0) (-y,3/4,-z+1/2;0,mx,0) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,3/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (x,x+1/2,1/4;-mx,mx,-mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4d (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4c (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.4.1164 P4_2'/nm'c UNI: 137.510 P4_2'/nm'c BNS: 137.510 P4_2'/nm'c Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8g (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1/2;my,0,-mz) (y,1/4,z+1/2;-my,0,-mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1/2;my,0,-mz) (-y,3/4,-z+1/2;-my,0,-mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;my,mx,-mz) (0,0,1/2;-my,-mx,-mz) 4d (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) 4c (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.5.1165 P4_2'/nmc' UNI: 137.511 P4_2'/nmc' BNS: 137.511 P4_2'/nmc' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8g (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1/2;0,-mx,0) (y,1/4,z+1/2;0,mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1/2;0,-mx,0) (-y,3/4,-z+1/2;0,mx,0) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (-x+1/2,-x,1/4;mx,-mx,-mz) (x,x+1/2,1/4;-mx,mx,-mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;my,-mx,-mz) (0,1/2,1/2;-my,mx,-mz) (1/2,0,0;mx,-my,-mz) (0,1/2,0;-mx,my,-mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-my,-mx,mz) (0,0,1/2;my,mx,mz) 4d (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4c (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.6.1166 P4_2'/n'm'c UNI: 137.512 P4_2'/n'm'c BNS: 137.512 P4_2'/n'm'c Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 8g (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1/2;my,0,-mz) (y,1/4,z+1/2;-my,0,-mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1/2;-my,0,mz) (-y,3/4,-z+1/2;my,0,mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (-x+1/2,-x,1/4;-mx,mx,mz) (x,x+1/2,1/4;mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4d (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) 4c (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) 2a (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) ---------- OG: 137.7.1167 P4_2/nm'c' UNI: 137.513 P4_2/nm'c' BNS: 137.513 P4_2/nm'c' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8g (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1/2;-my,0,mz) (y,1/4,z+1/2;my,0,mz) (3/4,-y,-z;0,my,mz) (3/4,y+1/2,-z;0,-my,mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1/2;-my,0,mz) (-y,3/4,-z+1/2;my,0,mz) 8f (x,-x,1/4;mx,mx,mz) (x+1/2,x,3/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,mz) (x,x+1/2,1/4;mx,-mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) 8e (0,0,0;mx,my,mz) (1/2,0,1/2;-my,mx,mz) (0,1/2,1/2;my,-mx,mz) (1/2,0,0;-mx,my,mz) (0,1/2,0;mx,-my,mz) (1/2,1/2,0;-mx,-my,mz) (1/2,1/2,1/2;-my,-mx,mz) (0,0,1/2;my,mx,mz) 4d (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) 4c (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) 2b (3/4,1/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) 2a (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) ---------- OG: 137.8.1168 P4_2'/n'mc' UNI: 137.514 P4_2'/n'mc' BNS: 137.514 P4_2'/n'mc' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8g (1/4,y,z;mx,0,0) (-y+1/2,1/4,z+1/2;0,-mx,0) (y,1/4,z+1/2;0,mx,0) (3/4,-y,-z;-mx,0,0) (3/4,y+1/2,-z;mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z+1/2;0,mx,0) (-y,3/4,-z+1/2;0,-mx,0) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;-mx,mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x,x+1/2,1/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4d (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 4c (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 137.9.1169 P4_2/n'm'c' UNI: 137.515 P4_2/n'm'c' BNS: 137.515 P4_2/n'm'c' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16h (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 8g (1/4,y,z;0,my,mz) (-y+1/2,1/4,z+1/2;-my,0,mz) (y,1/4,z+1/2;my,0,mz) (3/4,-y,-z;0,-my,-mz) (3/4,y+1/2,-z;0,my,-mz) (1/4,-y+1/2,z;0,-my,mz) (y+1/2,3/4,-z+1/2;my,0,-mz) (-y,3/4,-z+1/2;-my,0,-mz) 8f (x,-x,1/4;mx,-mx,0) (x+1/2,x,3/4;mx,mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (-x,x,3/4;-mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) 8e (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4d (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) 4c (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 138.1.1170 P4_2/ncm UNI: 138.519 P4_2/ncm.1 BNS: 138.519 P4_2/ncm Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;mx,mx,0) (x,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8h (x,-x,0;mx,-mx,0) (x+1/2,x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) 8g (x,-x,1/2;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4d (0,0,0;mx,-mx,0) (1/2,0,1/2;mx,mx,0) (0,1/2,1/2;-mx,-mx,0) (1/2,1/2,0;-mx,mx,0) 4c (0,0,1/2;mx,-mx,0) (1/2,0,0;mx,mx,0) (0,1/2,0;-mx,-mx,0) (1/2,1/2,1/2;-mx,mx,0) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,-mz) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 138.2.1171 P4_2/ncm1' UNI: 138.520 P4_2/ncm.1' BNS: 138.520 P4_2/ncm1' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|0,0,0)' (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;0,0,0) (-y+1/2,x,z+1/2;0,0,0) (y,-x+1/2,z+1/2;0,0,0) (x+1/2,-y,-z+1/2;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y+1/2,x+1/2,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y+1/2,-x,-z+1/2;0,0,0) (-y,x+1/2,-z+1/2;0,0,0) (-x+1/2,y,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y,x,z;0,0,0) 8i (x,x,z;0,0,0) (-x+1/2,x,z+1/2;0,0,0) (x,-x+1/2,z+1/2;0,0,0) (x+1/2,-x,-z+1/2;0,0,0) (-x,x+1/2,-z+1/2;0,0,0) (-x+1/2,-x+1/2,z;0,0,0) (x+1/2,x+1/2,-z;0,0,0) (-x,-x,-z;0,0,0) 8h (x,-x,0;0,0,0) (x+1/2,x,1/2;0,0,0) (-x,-x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (-x,x,0;0,0,0) (-x+1/2,-x,1/2;0,0,0) (x,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,0;0,0,0) 8g (x,-x,1/2;0,0,0) (x+1/2,x,0;0,0,0) (-x,-x+1/2,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (-x,x,1/2;0,0,0) (-x+1/2,-x,0;0,0,0) (x,x+1/2,0;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z;0,0,0) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 138.3.1172 P4_2/n'cm UNI: 138.521 P4_2/n'cm BNS: 138.521 P4_2/n'cm Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;mx,mx,0) (x,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8h (x,-x,0;mx,mx,mz) (x+1/2,x,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,0;mx,mx,-mz) 8g (x,-x,1/2;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (-x+1/2,-x,0;mx,-mx,-mz) (x,x+1/2,0;-mx,mx,-mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,-mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (1/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,-mz) ---------- OG: 138.4.1173 P4_2'/nc'm UNI: 138.522 P4_2'/nc'm BNS: 138.522 P4_2'/nc'm Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 8h (x,-x,0;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,0;-mx,mx,0) 8g (x,-x,1/2;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (x,x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4d (0,0,0;mx,-mx,0) (1/2,0,1/2;-mx,-mx,0) (0,1/2,1/2;mx,mx,0) (1/2,1/2,0;-mx,mx,0) 4c (0,0,1/2;mx,-mx,0) (1/2,0,0;-mx,-mx,0) (0,1/2,0;mx,mx,0) (1/2,1/2,1/2;-mx,mx,0) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 138.5.1174 P4_2'/ncm' UNI: 138.523 P4_2'/ncm' BNS: 138.523 P4_2'/ncm' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,-x,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8h (x,-x,0;mx,mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,1/2;mx,-mx,-mz) (x,x+1/2,1/2;-mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) 8g (x,-x,1/2;mx,mx,mz) (x+1/2,x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (-x+1/2,-x,0;mx,-mx,-mz) (x,x+1/2,0;-mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) 4d (0,0,0;mx,mx,mz) (1/2,0,1/2;mx,-mx,-mz) (0,1/2,1/2;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) 4c (0,0,1/2;mx,mx,mz) (1/2,0,0;mx,-mx,-mz) (0,1/2,0;-mx,mx,-mz) (1/2,1/2,1/2;-mx,-mx,mz) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) ---------- OG: 138.6.1175 P4_2'/n'c'm UNI: 138.524 P4_2'/n'c'm BNS: 138.524 P4_2'/n'c'm Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 8i (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;-mx,-mx,0) (x,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 8h (x,-x,0;mx,mx,mz) (x+1/2,x,1/2;mx,-mx,-mz) (-x,-x+1/2,1/2;-mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;-mx,-mx,-mz) (-x+1/2,-x,1/2;-mx,mx,mz) (x,x+1/2,1/2;mx,-mx,mz) (x+1/2,-x+1/2,0;mx,mx,-mz) 8g (x,-x,1/2;mx,mx,mz) (x+1/2,x,0;mx,-mx,-mz) (-x,-x+1/2,0;-mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (x+1/2,-x+1/2,1/2;mx,mx,-mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z;0,0,-mz) 4e (1/4,1/4,z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 4d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,-mz) (3/4,1/4,1/4;0,0,mz) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,-mz) (1/4,3/4,0;0,0,-mz) (3/4,1/4,1/2;0,0,mz) ---------- OG: 138.7.1176 P4_2/nc'm' UNI: 138.525 P4_2/nc'm' BNS: 138.525 P4_2/nc'm' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 8h (x,-x,0;mx,mx,mz) (x+1/2,x,1/2;-mx,mx,mz) (-x,-x+1/2,1/2;mx,-mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,0;mx,mx,mz) (-x+1/2,-x,1/2;-mx,mx,mz) (x,x+1/2,1/2;mx,-mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) 8g (x,-x,1/2;mx,mx,mz) (x+1/2,x,0;-mx,mx,mz) (-x,-x+1/2,0;mx,-mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (-x+1/2,-x,0;-mx,mx,mz) (x,x+1/2,0;mx,-mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z;0,0,mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,mz) 4d (0,0,0;mx,mx,mz) (1/2,0,1/2;-mx,mx,mz) (0,1/2,1/2;mx,-mx,mz) (1/2,1/2,0;-mx,-mx,mz) 4c (0,0,1/2;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (1/2,1/2,1/2;-mx,-mx,mz) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,mz) 4a (3/4,1/4,0;0,0,mz) (1/4,3/4,1/2;0,0,mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,mz) ---------- OG: 138.8.1177 P4_2'/n'cm' UNI: 138.526 P4_2'/n'cm' BNS: 138.526 P4_2'/n'cm' Operators: (1|0,0,0) (4z|1/2,0,1/2)' (4z-1|0,1/2,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;my,-mx,-mz) (y,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8h (x,-x,0;mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;-mx,mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,x+1/2,1/2;-mx,-mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) 8g (x,-x,1/2;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,0;mx,mx,0) (x,x+1/2,0;-mx,-mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,mz) (3/4,1/4,z+1/2;0,0,-mz) (1/4,3/4,z;0,0,mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,-z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) 4d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,mz) (1/4,3/4,1/4;0,0,-mz) (1/4,3/4,3/4;0,0,mz) (3/4,1/4,1/4;0,0,-mz) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 138.9.1178 P4_2/n'c'm' UNI: 138.527 P4_2/n'c'm' BNS: 138.527 P4_2/n'c'm' Operators: (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|1/2,0,1/2)' (-4z-1|0,1/2,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 16j (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x,-z+1/2;my,-mx,-mz) (-y,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 8i (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 8h (x,-x,0;mx,-mx,0) (x+1/2,x,1/2;mx,mx,0) (-x,-x+1/2,1/2;-mx,-mx,0) (-x+1/2,x+1/2,0;-mx,mx,0) (-x,x,0;-mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) 8g (x,-x,1/2;mx,-mx,0) (x+1/2,x,0;mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x+1/2,-x,0;-mx,-mx,0) (x,x+1/2,0;mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) 8f (3/4,1/4,z;0,0,mz) (1/4,3/4,z+1/2;0,0,mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,-mz) (1/4,3/4,-z;0,0,-mz) (3/4,1/4,-z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,mz) (1/4,3/4,z;0,0,mz) 4e (1/4,1/4,z;0,0,mz) (1/4,1/4,z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) 4d (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 4b (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 139.1.1179 I4/mmm UNI: 139.531 I4/mmm.1 BNS: 139.531 I4/mmm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) 16m (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8j (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 8i (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 8h (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;mx,-mx,0) (1/4,3/4,3/4;mx,mx,0) (3/4,1/4,3/4;-mx,-mx,0) (3/4,3/4,1/4;-mx,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.2.1180 I4/mmm1' UNI: 139.532 I4/mmm.1' BNS: 139.532 I4/mmm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) 16n (0,y,z;0,0,0) (-y,0,z;0,0,0) (y,0,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y,0,-z;0,0,0) (-y,0,-z;0,0,0) 16m (x,x,z;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) 16l (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x,-y,0;0,0,0) (-x,y,0;0,0,0) (-x,-y,0;0,0,0) (y,x,0;0,0,0) (-y,-x,0;0,0,0) 16k (x,x+1/2,1/4;0,0,0) (-x,x+1/2,3/4;0,0,0) (x,-x+1/2,3/4;0,0,0) (-x,-x+1/2,1/4;0,0,0) (-x,-x+1/2,3/4;0,0,0) (x,-x+1/2,1/4;0,0,0) (-x,x+1/2,1/4;0,0,0) (x,x+1/2,3/4;0,0,0) 8j (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 8i (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 8h (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.3.1181 I4/m'mm UNI: 139.533 I4/m'mm BNS: 139.533 I4/m'mm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) 16m (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16l (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x,-x+1/2,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;0,my,0) (1/2,x,0;-my,0,0) (1/2,-x,0;my,0,0) (-x,1/2,0;0,-my,0) 8i (x,0,0;0,my,0) (0,x,0;-my,0,0) (0,-x,0;my,0,0) (-x,0,0;0,-my,0) 8h (x,x,0;mx,-mx,0) (-x,x,0;mx,mx,0) (x,-x,0;-mx,-mx,0) (-x,-x,0;-mx,mx,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.4.1182 I4'/mm'm UNI: 139.534 I4'/mm'm BNS: 139.534 I4'/mm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 16n (0,y,z;0,my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) 16m (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x,x+1/2,3/4;-mx,-mx,0) 8j (x,1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) (-x,1/2,0;0,0,mz) 8i (x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) (-x,0,0;0,0,mz) 8h (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;mx,-mx,0) (1/4,3/4,3/4;-mx,-mx,0) (3/4,1/4,3/4;mx,mx,0) (3/4,3/4,1/4;-mx,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.5.1183 I4'/mmm' UNI: 139.535 I4'/mmm' BNS: 139.535 I4'/mmm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) 16m (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x,-x+1/2,1/4;-mx,-mx,-mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) 8j (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) 8i (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 8h (x,x,0;0,0,mz) (-x,x,0;0,0,-mz) (x,-x,0;0,0,-mz) (-x,-x,0;0,0,mz) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;mx,mx,mz) (1/4,3/4,3/4;mx,-mx,-mz) (3/4,1/4,3/4;-mx,mx,-mz) (3/4,3/4,1/4;-mx,-mx,mz) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.6.1184 I4'/m'm'm UNI: 139.536 I4'/m'm'm BNS: 139.536 I4'/m'm'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) 16n (0,y,z;0,my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) 16m (x,x,z;mx,-mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16l (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;-my,-mx,0) (-y,-x,0;my,mx,0) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;mx,0,0) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) 8i (x,0,0;mx,0,0) (0,x,0;0,-mx,0) (0,-x,0;0,mx,0) (-x,0,0;-mx,0,0) 8h (x,x,0;mx,-mx,0) (-x,x,0;-mx,-mx,0) (x,-x,0;mx,mx,0) (-x,-x,0;-mx,mx,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.7.1185 I4/mm'm' UNI: 139.537 I4/mm'm' BNS: 139.537 I4/mm'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,my,mz) (0,y,-z;0,-my,mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) 16m (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (-x,-x+1/2,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (x,x+1/2,3/4;-mx,mx,mz) 8j (x,1/2,0;0,0,mz) (1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (-x,1/2,0;0,0,mz) 8i (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (-x,0,0;0,0,mz) 8h (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (-x,-x,0;0,0,mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) 8f (1/4,1/4,1/4;mx,mx,mz) (3/4,1/4,1/4;-mx,mx,mz) (1/4,3/4,1/4;mx,-mx,mz) (3/4,3/4,1/4;-mx,-mx,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 4d (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 2b (0,0,1/2;0,0,mz) 2a (0,0,0;0,0,mz) ---------- OG: 139.8.1186 I4'/m'mm' UNI: 139.538 I4'/m'mm' BNS: 139.538 I4'/m'mm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) 16m (x,x,z;mx,mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 16l (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,0;-mx,my,0) (-x,y,0;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,x+1/2,3/4;mx,mx,0) 8j (x,1/2,0;0,my,0) (1/2,x,0;my,0,0) (1/2,-x,0;-my,0,0) (-x,1/2,0;0,-my,0) 8i (x,0,0;0,my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) (-x,0,0;0,-my,0) 8h (x,x,0;mx,mx,0) (-x,x,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x,0;-mx,-mx,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.9.1187 I4/m'm'm' UNI: 139.539 I4/m'm'm' BNS: 139.539 I4/m'm'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) 16m (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 16l (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x,x+1/2,3/4;mx,mx,0) 8j (x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) 8i (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 8h (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z;0,0,-mz) (1/2,0,-z;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 139.10.1188 I_P4/mmm UNI: 123.350 P4/mmm.1'_I[I4/mmm] BNS: 123.350 P_I4/mmm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) 16m (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x-1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x,-x-1/2,-1/4;mx,mx,-mz) (-x,x+1/2,-1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (-x,-x-1/2,-1/4;mx,-mx,mz) (x+1/2,-x,-1/4;mx,mx,mz) (-x-1/2,x,-1/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,-x-1/2,1/4;-mx,-mx,-mz) (x,x+1/2,-1/4;-mx,mx,mz) (-x-1/2,-x,1/4;-mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;0,0,0) (-1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1,1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x+1/2,1,1/2;0,0,0) 8i (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z;0,0,0) (-1/2,0,-z;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (-1/2,0,-1/4;0,0,0) 4c (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,1,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) 16m (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x,-x+1/2,3/4;mx,mx,-mz) (-x,x+1/2,3/4;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,3/4;mx,mx,mz) (-x+1/2,x,3/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,-x+1/2,1/4;-mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) 8i (x,0,0;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (x,x,0;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 139.11.1189 I_P4/m'mm UNI: 129.422 P4/nmm.1'_I[I4/mmm] BNS: 129.422 P_I4/nmm OG-BNS transformation: (-1/4,-1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;mx,0,0) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (1/2,-y+1/2,-z+1/2;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) 16m (x,x,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x+1/2,-z+1/2;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16l (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y,-x,0;my,mx,0) (y,x,0;-my,-mx,0) 16k (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x+1,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x,-x-1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1,1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x,x+1/2,-1/4;mx,-mx,0) (x,-x-1/2,-1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x,-x-1/2,-1/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x+1,3/4;-mx,mx,0) (x,x+1/2,-1/4;mx,mx,0) 8j (x,1/2,0;0,my,0) (-1/2,x,0;-my,0,0) (1/2,-x,0;my,0,0) (x+1/2,0,1/2;0,-my,0) (-x+1/2,1,1/2;0,my,0) (-x,-1/2,0;0,-my,0) (1,x+1/2,1/2;my,0,0) (0,-x+1/2,1/2;-my,0,0) 8i (x,0,0;0,my,0) (0,x,0;-my,0,0) (0,-x,0;my,0,0) (x+1/2,1/2,1/2;0,-my,0) (-x+1/2,1/2,1/2;0,my,0) (-x,0,0;0,-my,0) (1/2,x+1/2,1/2;my,0,0) (1/2,-x+1/2,1/2;-my,0,0) 8h (x,x,0;mx,-mx,0) (-x,x,0;mx,mx,0) (x,-x,0;-mx,-mx,0) (x+1/2,-x+1/2,1/2;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,-x,0;-mx,mx,0) (x+1/2,x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,-mx,0) 8g (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,-1/2,-z;0,0,0) (-1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;mx,-mx,0) (3/4,1/4,1/4;mx,mx,0) (1/4,3/4,1/4;-mx,-mx,0) (-1/4,-1/4,1/4;-mx,mx,0) (3/4,3/4,3/4;-mx,mx,0) (1/4,-1/4,-1/4;-mx,-mx,0) (-1/4,1/4,-1/4;mx,mx,0) (1/4,1/4,3/4;mx,-mx,0) 4e (0,0,z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1,3/4;0,0,0) (0,-1/2,-1/4;0,0,0) 4c (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (1/4,y,z;mx,0,0) (-y+1/2,1/4,z;0,mx,0) (y,1/4,z;0,-mx,0) (3/4,-y,-z;mx,0,0) (3/4,y+1/2,-z;-mx,0,0) (1/4,-y+1/2,z;-mx,0,0) (y+1/2,3/4,-z;0,mx,0) (-y,3/4,-z;0,-mx,0) (3/4,y+1/2,z+1/2;-mx,0,0) (-y,3/4,z+1/2;0,-mx,0) (y+1/2,3/4,z+1/2;0,mx,0) (1/4,-y+1/2,-z+1/2;-mx,0,0) (1/4,y,-z+1/2;mx,0,0) (3/4,-y,z+1/2;mx,0,0) (y,1/4,-z+1/2;0,-mx,0) (-y+1/2,1/4,-z+1/2;0,mx,0) 16m (x,x,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x,-x+1/2,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (x,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x,-z+1/2;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16l (x,y,3/4;mx,my,0) (-y+1/2,x,3/4;-my,mx,0) (y,-x+1/2,3/4;my,-mx,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y+1/2,x+1/2,1/4;my,mx,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,1/4;-my,mx,0) (-y,x+1/2,1/4;my,-mx,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y+1/2,-x+1/2,3/4;my,mx,0) (y,x,3/4;-my,-mx,0) 16k (x,x+1/2,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (x,-x,0;-mx,mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x,-x,1/2;-mx,mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,x,1/2;-mx,mx,0) (x,x+1/2,1/2;mx,mx,0) 8j (x,3/4,3/4;0,my,0) (3/4,x,3/4;-my,0,0) (3/4,-x+1/2,3/4;my,0,0) (x+1/2,1/4,1/4;0,-my,0) (-x,1/4,1/4;0,my,0) (-x+1/2,3/4,3/4;0,-my,0) (1/4,x+1/2,1/4;my,0,0) (1/4,-x,1/4;-my,0,0) 8i (x,1/4,3/4;0,my,0) (1/4,x,3/4;-my,0,0) (1/4,-x+1/2,3/4;my,0,0) (x+1/2,3/4,1/4;0,-my,0) (-x,3/4,1/4;0,my,0) (-x+1/2,1/4,3/4;0,-my,0) (3/4,x+1/2,1/4;my,0,0) (3/4,-x,1/4;-my,0,0) 8h (x,x,3/4;mx,-mx,0) (-x+1/2,x,3/4;mx,mx,0) (x,-x+1/2,3/4;-mx,-mx,0) (x+1/2,-x,1/4;mx,mx,0) (-x,x+1/2,1/4;-mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,1/4;-mx,mx,0) (-x,-x,1/4;mx,-mx,0) 8g (1/4,3/4,z;0,0,0) (3/4,1/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 8f (1/2,1/2,0;mx,-mx,0) (0,1/2,0;mx,mx,0) (1/2,0,0;-mx,-mx,0) (0,0,0;-mx,mx,0) (0,0,1/2;-mx,mx,0) (1/2,0,1/2;-mx,-mx,0) (0,1/2,1/2;mx,mx,0) (1/2,1/2,1/2;mx,-mx,0) 4e (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) 4d (1/4,3/4,0;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,3/4,1/2;0,0,0) 4c (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 2b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 2a (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) ---------- OG: 139.12.1190 I_P4'/mm'm UNI: 136.506 P4_2/mnm.1'_I[I4/mmm] BNS: 136.506 P_I4_2/mnm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;0,my,mz) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,-y,-z;0,my,mz) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) 16m (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16l (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x+1,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x+1,1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (-x,-x-1/2,-1/4;mx,-mx,mz) (x+1,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,x+1,3/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (x,x+1/2,-1/4;-mx,mx,mz) (-x-1/2,-x,1/4;-mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;0,0,mz) (0,x+1/2,1/2;0,0,mz) (1,-x+1/2,1/2;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,1,1/2;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) 8i (x,0,0;0,0,mz) (1/2,x+1/2,1/2;0,0,mz) (1/2,-x+1/2,1/2;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) 8h (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (-1/2,0,-z;0,0,-mz) (0,-1/2,-z;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (-1/2,0,-1/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) (-1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;0,my,mz) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,-y,-z;0,my,mz) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) 16m (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16l (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x,1/4;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8j (x,1/2,0;0,0,mz) (0,x+1/2,1/2;0,0,mz) (0,-x+1/2,1/2;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (1/2,-x,0;0,0,-mz) 8i (x,0,0;0,0,mz) (1/2,x+1/2,1/2;0,0,mz) (1/2,-x+1/2,1/2;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) (0,x,0;0,0,-mz) (0,-x,0;0,0,-mz) 8h (x,x,0;0,0,0) (-x+1/2,x+1/2,1/2;0,0,0) (x+1/2,-x+1/2,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x,x,0;0,0,0) (x,-x,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,1/4;0,0,-mz) (1/2,0,3/4;0,0,-mz) 4c (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,0,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 139.13.1191 I_P4'/mmm' UNI: 131.446 P4_2/mmc.1'_I[I4/mmm] BNS: 131.446 P_I4_2/mmc OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;mx,0,0) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) 16m (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,-1/4;-mx,mx,0) (x,-x-1/2,-1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (-x,-x-1/2,-1/4;mx,mx,0) (x,-x-1/2,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,x+1/2,-1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x+1/2,x+1,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x+1/2,x+1,3/4;-mx,mx,0) (x+1/2,x+1,1/4;mx,mx,0) 8j (x,1/2,0;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,1,1/2;0,0,0) (-1/2,x,0;0,0,0) (-1/2,-x,0;0,0,0) (-x+1/2,1,1/2;0,0,0) 8i (x,0,0;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (x,x,0;0,0,mz) (-x+1/2,x+1/2,1/2;0,0,mz) (x+1/2,-x+1/2,1/2;0,0,mz) (x,-x,0;0,0,-mz) (-x,x,0;0,0,-mz) (-x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (-1/2,0,-z;0,0,0) 8f (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,1,3/4;0,0,0) (1/2,0,1/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (-1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16n (1/2,y,z;mx,0,0) (-y,1/2,z+1/2;0,mx,0) (y,1/2,z+1/2;0,-mx,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z+1/2;0,mx,0) (-y,1/2,-z+1/2;0,-mx,0) (0,y+1/2,z+1/2;-mx,0,0) (-y+1/2,0,z;0,-mx,0) (y+1/2,0,z;0,mx,0) (0,-y+1/2,-z+1/2;-mx,0,0) (0,y+1/2,-z+1/2;mx,0,0) (0,-y+1/2,z+1/2;mx,0,0) (y+1/2,0,-z;0,-mx,0) (-y+1/2,0,-z;0,mx,0) 16m (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x,x+1/2,-z;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x+1/2,x,-z+1/2;mx,-mx,mz) (-x,x+1/2,z;mx,-mx,-mz) (x,-x+1/2,z;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16l (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,0;0,0,-mz) (-x,y,0;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (x+1/2,-y+1/2,1/2;0,0,mz) (-x+1/2,y+1/2,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 16k (x,x,1/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,1/4;mx,mx,0) 8j (x,1/2,0;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) (0,x+1/2,0;0,0,0) (0,-x+1/2,0;0,0,0) (-x+1/2,0,1/2;0,0,0) 8i (x,0,0;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 8h (x,x+1/2,0;0,0,mz) (-x+1/2,x,1/2;0,0,mz) (x+1/2,-x,1/2;0,0,mz) (x,-x+1/2,0;0,0,-mz) (-x,x+1/2,0;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x+1/2,-x,1/2;0,0,-mz) 8g (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,z+1/2;0,0,0) (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 8f (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4e (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) 4d (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) 4c (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,0,0;0,0,0) 2b (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) ---------- OG: 139.14.1192 I_P4'/m'm'm UNI: 134.482 P4_2/nnm.1'_I[I4/mmm] BNS: 134.482 P_I4_2/nnm OG-BNS transformation: (-3/4,-1/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16n (0,y,z;0,my,mz) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) 16m (x,x,z;mx,-mx,0) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x+1/2,-z+1/2;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) 16l (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1/2;my,mx,0) (-y+1/2,-x+1/2,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y,-x,0;my,mx,0) (y,x,0;-my,-mx,0) 16k (x,x+1/2,1/4;mx,mx,0) (-x,x+1/2,-1/4;-mx,mx,0) (x,-x-1/2,-1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (-x+1/2,-x,1/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x+1,3/4;mx,-mx,0) (x+1/2,x+1,1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x+1/2,x+1,1/4;mx,-mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x,-x-1/2,-1/4;-mx,-mx,0) (x,-x-1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x,x+1/2,-1/4;mx,mx,0) 8j (x,1/2,0;mx,0,0) (0,x+1/2,1/2;0,mx,0) (0,-x+1/2,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) 8i (x,0,0;mx,0,0) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (0,-x,0;0,mx,0) (0,x,0;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 8h (x,x,0;mx,-mx,0) (-x+1/2,x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,-mx,0) (x,-x,0;mx,mx,0) (-x,x,0;-mx,-mx,0) (-x,-x,0;-mx,mx,0) (x+1/2,x+1/2,1/2;-mx,mx,0) (-x+1/2,-x+1/2,1/2;mx,-mx,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (0,-1/2,-z;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1/2,0,z;0,0,-mz) 8f (1/4,1/4,1/4;mx,-mx,0) (1/4,-1/4,-1/4;mx,mx,0) (-1/4,1/4,-1/4;-mx,-mx,0) (-1/4,-1/4,1/4;-mx,mx,0) (3/4,3/4,3/4;-mx,mx,0) (3/4,1/4,1/4;-mx,-mx,0) (1/4,3/4,1/4;mx,mx,0) (1/4,1/4,3/4;mx,-mx,0) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1,3/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16n (3/4,y,z;0,my,mz) (-y+1/2,3/4,z+1/2;-my,0,mz) (y,3/4,z+1/2;my,0,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (y,3/4,-z;my,0,-mz) (-y+1/2,3/4,-z;-my,0,-mz) (1/4,-y,-z;0,my,mz) (y+1/2,1/4,-z+1/2;-my,0,mz) (-y,1/4,-z+1/2;my,0,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) (-y,1/4,z;my,0,-mz) (y+1/2,1/4,z;-my,0,-mz) 16m (x,x+1/2,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (-x+1/2,x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,-x,z;-mx,mx,0) (x+1/2,x,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (-x,x,-z;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) 16l (x,y,3/4;mx,my,0) (-y+1/2,x,1/4;-my,mx,0) (y,-x+1/2,1/4;my,-mx,0) (x,-y+1/2,3/4;mx,-my,0) (-x+1/2,y,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y,x,1/4;my,mx,0) (-y+1/2,-x+1/2,1/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,3/4;-my,mx,0) (-y,x+1/2,3/4;my,-mx,0) (-x,y+1/2,1/4;mx,-my,0) (x+1/2,-y,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y,-x,3/4;my,mx,0) (y+1/2,x+1/2,3/4;-my,-mx,0) 16k (x,x,0;mx,mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,-x,1/2;mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,x,0;-mx,mx,0) (x,x,1/2;mx,mx,0) 8j (x,3/4,3/4;mx,0,0) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,1/4;-mx,0,0) 8i (x,1/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,1/4;-mx,0,0) 8h (x,x+1/2,3/4;mx,-mx,0) (-x,x,1/4;mx,mx,0) (x+1/2,-x+1/2,1/4;-mx,-mx,0) (x,-x,3/4;mx,mx,0) (-x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,-x,3/4;-mx,mx,0) (x+1/2,x,1/4;-mx,mx,0) (-x,-x+1/2,1/4;mx,-mx,0) 8g (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,z;0,0,-mz) 8f (0,1/2,0;mx,-mx,0) (0,0,1/2;mx,mx,0) (1/2,1/2,1/2;-mx,-mx,0) (1/2,0,0;-mx,mx,0) (1/2,0,1/2;-mx,mx,0) (1/2,1/2,0;-mx,-mx,0) (0,0,0;mx,mx,0) (0,1/2,1/2;mx,-mx,0) 4e (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) 4d (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 139.15.1193 I_P4/mm'm' UNI: 128.410 P4/mnc.1'_I[I4/mmm] BNS: 128.410 P_I4/mnc OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (0,-y,-z;0,my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) 16m (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x+1,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x-1/2,1/4;-mx,-mx,0) (-x,-x-1/2,-1/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x+1,3/4;mx,-mx,0) (x,x+1/2,-1/4;-mx,-mx,0) (x+1/2,x+1,3/4;-mx,-mx,0) (-x,x+1/2,-1/4;mx,-mx,0) (x,-x-1/2,-1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,-x-1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1,1/4;mx,mx,0) 8j (x,1/2,0;0,0,mz) (-1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,1,1/2;0,0,-mz) (-x,-1/2,0;0,0,mz) (1,x+1/2,1/2;0,0,-mz) (0,-x+1/2,1/2;0,0,-mz) 8i (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) (1/2,x+1/2,1/2;0,0,-mz) (1/2,-x+1/2,1/2;0,0,-mz) 8h (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,x+1/2,1/2;0,0,-mz) (-x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,1,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (1/2,-y+1/2,-z+1/2;0,-my,-mz) (1/2,y+1/2,-z+1/2;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (0,-y,-z;0,my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (0,y,-z;0,-my,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) 16m (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1/2;0,0,-mz) (-x+1/2,y+1/2,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x,-y,0;0,0,mz) (-x,y,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16k (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x+1/2,-x,1/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x+1/2,x,3/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x,x+1/2,1/4;-mx,mx,0) (x+1/2,x,1/4;mx,mx,0) 8j (x,1/2,0;0,0,mz) (1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x+1/2,0,1/2;0,0,-mz) (-x+1/2,0,1/2;0,0,-mz) (-x,1/2,0;0,0,mz) (0,x+1/2,1/2;0,0,-mz) (0,-x+1/2,1/2;0,0,-mz) 8i (x,0,0;0,0,mz) (0,x,0;0,0,mz) (0,-x,0;0,0,mz) (x+1/2,1/2,1/2;0,0,-mz) (-x+1/2,1/2,1/2;0,0,-mz) (-x,0,0;0,0,mz) (1/2,x+1/2,1/2;0,0,-mz) (1/2,-x+1/2,1/2;0,0,-mz) 8h (x,x,0;0,0,mz) (-x,x,0;0,0,mz) (x,-x,0;0,0,mz) (x+1/2,-x+1/2,1/2;0,0,-mz) (-x+1/2,x+1/2,1/2;0,0,-mz) (-x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4e (0,0,z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4c (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 2b (0,0,1/2;0,0,mz) (1/2,1/2,0;0,0,-mz) 2a (0,0,0;0,0,mz) (1/2,1/2,1/2;0,0,-mz) ---------- OG: 139.16.1194 I_P4'/m'mm' UNI: 137.518 P4_2/nmc.1'_I[I4/mmm] BNS: 137.518 P_I4_2/nmc OG-BNS transformation: (-3/4,-1/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1/2) (2y|1/2,1/2,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y+1/2,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;mx,0,0) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (1/2,-y+1/2,-z+1/2;mx,0,0) (1/2,y+1/2,-z+1/2;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;-mx,0,0) (0,y,-z;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) 16m (x,x,z;mx,mx,mz) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x+1/2,-x+1/2,-z+1/2;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x,x,-z;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x+1/2,x+1/2,-z+1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x+1/2,-y+1/2,1/2;mx,-my,0) (-x+1/2,y+1/2,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x,y,0;mx,-my,0) (x,-y,0;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,mz) (x+1,-x+1/2,3/4;-mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,-mz) (-x+1/2,x+1,1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (-x+1/2,-x,1/4;mx,-mx,mz) (x+1/2,-x,-1/4;mx,mx,mz) (-x-1/2,x,-1/4;-mx,-mx,mz) (-x,x+1/2,1/4;mx,mx,-mz) (x,-x-1/2,1/4;-mx,-mx,-mz) (x+1/2,x+1,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1,x+1/2,3/4;mx,-mx,-mz) 8j (x,1/2,0;0,my,0) (0,x+1/2,1/2;-my,0,0) (1,-x+1/2,1/2;my,0,0) (x+1/2,0,1/2;0,-my,0) (-x+1/2,1,1/2;0,my,0) (-x,-1/2,0;0,-my,0) (1/2,x,0;my,0,0) (-1/2,-x,0;-my,0,0) 8i (x,0,0;0,my,0) (1/2,x+1/2,1/2;-my,0,0) (1/2,-x+1/2,1/2;my,0,0) (x+1/2,1/2,1/2;0,-my,0) (-x+1/2,1/2,1/2;0,my,0) (-x,0,0;0,-my,0) (0,x,0;my,0,0) (0,-x,0;-my,0,0) 8h (x,x,0;mx,mx,0) (-x+1/2,x+1/2,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x,-x,0;-mx,mx,0) (-x,x,0;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8g (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (-1/2,0,-z;0,0,0) (1/2,1,z+1/2;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) 8f (1/4,1/4,1/4;mx,mx,mz) (1/4,3/4,3/4;-mx,mx,mz) (3/4,1/4,3/4;mx,-mx,mz) (3/4,1/4,1/4;mx,-mx,-mz) (1/4,3/4,1/4;-mx,mx,-mz) (-1/4,-1/4,1/4;-mx,-mx,mz) (1/4,1/4,-1/4;mx,mx,-mz) (-1/4,-1/4,-1/4;-mx,-mx,-mz) 4e (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (-1/2,0,-1/4;0,0,0) 4c (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (-1/2,0,0;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,0) (2y|0,1/2,0) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,0) (my|0,1/2,0) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|0,0,1/2)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16n (3/4,y,z;mx,0,0) (-y+1/2,3/4,z+1/2;0,mx,0) (y,3/4,z+1/2;0,-mx,0) (1/4,-y,-z;mx,0,0) (1/4,y+1/2,-z;-mx,0,0) (3/4,-y+1/2,z;-mx,0,0) (y+1/2,1/4,-z+1/2;0,mx,0) (-y,1/4,-z+1/2;0,-mx,0) (1/4,y+1/2,z+1/2;-mx,0,0) (-y,1/4,z;0,-mx,0) (y+1/2,1/4,z;0,mx,0) (3/4,-y+1/2,-z+1/2;-mx,0,0) (3/4,y,-z+1/2;mx,0,0) (1/4,-y,z+1/2;mx,0,0) (y,3/4,-z;0,-mx,0) (-y+1/2,3/4,-z;0,mx,0) 16m (x,x+1/2,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x+1/2,-x,z;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x+1/2,x,-z;-mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16l (x,y,3/4;mx,my,0) (-y+1/2,x,1/4;-my,mx,0) (y,-x+1/2,1/4;my,-mx,0) (x+1/2,-y,1/4;mx,-my,0) (-x,y+1/2,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y+1/2,x+1/2,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,3/4;-my,mx,0) (-y,x+1/2,3/4;my,-mx,0) (-x+1/2,y,3/4;mx,-my,0) (x,-y+1/2,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y+1/2,-x+1/2,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) 16k (x,x,0;mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,mz) (x,-x+1/2,1/2;-mx,-mx,mz) (x+1/2,-x,0;mx,mx,-mz) (-x,x+1/2,0;-mx,-mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x,-x,1/2;mx,-mx,-mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,mz) (-x,x+1/2,1/2;-mx,-mx,mz) (-x+1/2,x,0;mx,mx,-mz) (x,-x+1/2,0;-mx,-mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,-mz) (x,x,1/2;mx,-mx,-mz) 8j (x,3/4,3/4;0,my,0) (3/4,x,1/4;-my,0,0) (3/4,-x+1/2,1/4;my,0,0) (x+1/2,1/4,1/4;0,-my,0) (-x,1/4,1/4;0,my,0) (-x+1/2,3/4,3/4;0,-my,0) (1/4,x+1/2,3/4;my,0,0) (1/4,-x,3/4;-my,0,0) 8i (x,1/4,3/4;0,my,0) (1/4,x,1/4;-my,0,0) (1/4,-x+1/2,1/4;my,0,0) (x+1/2,3/4,1/4;0,-my,0) (-x,3/4,1/4;0,my,0) (-x+1/2,1/4,3/4;0,-my,0) (3/4,x+1/2,3/4;my,0,0) (3/4,-x,3/4;-my,0,0) 8h (x,x+1/2,3/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) (3/4,3/4,-z;0,0,0) 8f (0,1/2,0;mx,mx,mz) (0,0,1/2;-mx,mx,mz) (1/2,1/2,1/2;mx,-mx,mz) (1/2,1/2,0;mx,-mx,-mz) (0,0,0;-mx,mx,-mz) (1/2,0,0;-mx,-mx,mz) (0,1/2,1/2;mx,mx,-mz) (1/2,0,1/2;-mx,-mx,-mz) 4e (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 4d (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) ---------- OG: 139.17.1195 I_P4/m'm'm' UNI: 126.386 P4/nnc.1'_I[I4/mmm] BNS: 126.386 P_I4/nnc OG-BNS transformation: (-3/4,-3/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32o (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (0,y,z;0,my,mz) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (1/2,-y+1/2,-z+1/2;0,my,mz) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) 16m (x,x,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x+1/2,-x+1/2,-z+1/2;mx,mx,mz) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z+1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,0;mx,-my,0) (-x,y,0;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,0;my,mx,0) (-y,-x,0;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (-x+1/2,y+1/2,1/2;mx,-my,0) (x+1/2,-y+1/2,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y+1/2,-x+1/2,1/2;my,mx,0) (y+1/2,x+1/2,1/2;-my,-mx,0) 16k (x,x+1/2,1/4;mx,-mx,mz) (-x-1/2,x,1/4;mx,mx,mz) (x+1/2,-x,1/4;-mx,-mx,mz) (x,-x-1/2,-1/4;mx,mx,-mz) (-x,x+1/2,-1/4;-mx,-mx,-mz) (-x,-x-1/2,1/4;-mx,mx,mz) (x+1/2,x,-1/4;-mx,mx,-mz) (-x-1/2,-x,-1/4;mx,-mx,-mz) (-x+1/2,-x,1/4;mx,-mx,mz) (x+1,-x+1/2,1/4;mx,mx,mz) (-x,x+1/2,1/4;-mx,-mx,mz) (-x+1/2,x+1,3/4;mx,mx,-mz) (x+1/2,-x,3/4;-mx,-mx,-mz) (x+1/2,x+1,1/4;-mx,mx,mz) (-x,-x+1/2,3/4;-mx,mx,-mz) (x+1,x+1/2,3/4;mx,-mx,-mz) 8j (x,1/2,0;mx,0,0) (-1/2,x,0;0,mx,0) (-1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1,-x+1/2,1/2;0,mx,0) (1,x+1/2,1/2;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) 8i (x,0,0;mx,0,0) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 8h (x,x,0;mx,mx,0) (-x,x,0;-mx,mx,0) (x,-x,0;mx,-mx,0) (-x,-x,0;-mx,-mx,0) (-x+1/2,-x+1/2,1/2;mx,mx,0) (x+1/2,-x+1/2,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z;0,0,-mz) (-1/2,0,-z;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1/2;0,0,-mz) (1,1/2,z+1/2;0,0,-mz) 8f (1/4,1/4,1/4;mx,mx,mz) (-1/4,1/4,1/4;-mx,mx,mz) (1/4,-1/4,1/4;mx,-mx,mz) (1/4,-1/4,-1/4;mx,-mx,-mz) (-1/4,1/4,-1/4;-mx,mx,-mz) (-1/4,-1/4,1/4;-mx,-mx,mz) (1/4,1/4,-1/4;mx,mx,-mz) (-1/4,-1/4,-1/4;-mx,-mx,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) 4d (0,1/2,1/4;0,0,mz) (-1/2,0,1/4;0,0,mz) (0,-1/2,-1/4;0,0,-mz) (-1/2,0,-1/4;0,0,-mz) 4c (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1,1/2,1/2;0,0,0) 2b (0,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32o (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16n (3/4,y,z;0,my,mz) (-y+1/2,3/4,z;-my,0,mz) (y,3/4,z;my,0,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (y,3/4,-z+1/2;my,0,-mz) (-y+1/2,3/4,-z+1/2;-my,0,-mz) (1/4,-y,-z;0,my,mz) (y+1/2,1/4,-z;-my,0,mz) (-y,1/4,-z;my,0,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) (-y,1/4,z+1/2;my,0,-mz) (y+1/2,1/4,z+1/2;-my,0,-mz) 16m (x,x,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16l (x,y,3/4;mx,my,0) (-y+1/2,x,3/4;-my,mx,0) (y,-x+1/2,3/4;my,-mx,0) (x,-y+1/2,3/4;mx,-my,0) (-x+1/2,y,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y,x,3/4;my,mx,0) (-y+1/2,-x+1/2,3/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,1/4;-my,mx,0) (-y,x+1/2,1/4;my,-mx,0) (-x,y+1/2,1/4;mx,-my,0) (x+1/2,-y,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y,-x,1/4;my,mx,0) (y+1/2,x+1/2,1/4;-my,-mx,0) 16k (x,x+1/2,0;mx,-mx,mz) (-x,x,0;mx,mx,mz) (x+1/2,-x+1/2,0;-mx,-mx,mz) (x,-x,1/2;mx,mx,-mz) (-x+1/2,x+1/2,1/2;-mx,-mx,-mz) (-x+1/2,-x,0;-mx,mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x,-x+1/2,1/2;mx,-mx,-mz) (-x,-x+1/2,0;mx,-mx,mz) (x,-x,0;mx,mx,mz) (-x+1/2,x+1/2,0;-mx,-mx,mz) (-x,x,1/2;mx,mx,-mz) (x+1/2,-x+1/2,1/2;-mx,-mx,-mz) (x+1/2,x,0;-mx,mx,mz) (-x+1/2,-x,1/2;-mx,mx,-mz) (x,x+1/2,1/2;mx,-mx,-mz) 8j (x,1/4,3/4;mx,0,0) (1/4,x,3/4;0,mx,0) (1/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,-x,1/4;0,mx,0) (3/4,x+1/2,1/4;0,-mx,0) (x+1/2,3/4,1/4;-mx,0,0) 8i (x,3/4,3/4;mx,0,0) (3/4,x,3/4;0,mx,0) (3/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (1/4,-x,1/4;0,mx,0) (1/4,x+1/2,1/4;0,-mx,0) (x+1/2,1/4,1/4;-mx,0,0) 8h (x,x,3/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) 8g (3/4,1/4,z;0,0,mz) (1/4,3/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (1/4,3/4,-z;0,0,mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (0,0,0;mx,mx,mz) (1/2,0,0;-mx,mx,mz) (0,1/2,0;mx,-mx,mz) (0,1/2,1/2;mx,-mx,-mz) (1/2,0,1/2;-mx,mx,-mz) (1/2,1/2,0;-mx,-mx,mz) (0,0,1/2;mx,mx,-mz) (1/2,1/2,1/2;-mx,-mx,-mz) 4e (3/4,3/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) 4d (3/4,1/4,0;0,0,mz) (1/4,3/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) 4c (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) 2b (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2a (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 140.1.1196 I4/mcm UNI: 140.541 I4/mcm.1 BNS: 140.541 I4/mcm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 16l (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) 8h (x,x+1/2,0;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x,-x+1/2,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 8e (1/4,1/4,1/4;mx,mx,0) (3/4,1/4,1/4;-mx,mx,0) (1/4,3/4,1/4;mx,-mx,0) (3/4,3/4,1/4;-mx,-mx,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.2.1197 I4/mcm1' UNI: 140.542 I4/mcm.1' BNS: 140.542 I4/mcm1' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x,y,-z+1/2;0,0,0) (-x,-y,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y,z+1/2;0,0,0) (x,y,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 16l (x,x+1/2,z;0,0,0) (-x+1/2,x,z;0,0,0) (x+1/2,-x,z;0,0,0) (x,-x+1/2,-z+1/2;0,0,0) (-x,x+1/2,-z+1/2;0,0,0) (-x,-x+1/2,z;0,0,0) (x+1/2,x,-z+1/2;0,0,0) (-x+1/2,-x,-z+1/2;0,0,0) 16k (x,y,0;0,0,0) (-y,x,0;0,0,0) (y,-x,0;0,0,0) (x,-y,1/2;0,0,0) (-x,y,1/2;0,0,0) (-x,-y,0;0,0,0) (y,x,1/2;0,0,0) (-y,-x,1/2;0,0,0) 16j (x,0,1/4;0,0,0) (0,x,1/4;0,0,0) (0,-x,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,0,3/4;0,0,0) (0,-x,3/4;0,0,0) (0,x,3/4;0,0,0) (x,0,3/4;0,0,0) 16i (x,x,1/4;0,0,0) (-x,x,1/4;0,0,0) (x,-x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (-x,-x,3/4;0,0,0) (x,-x,3/4;0,0,0) (-x,x,3/4;0,0,0) (x,x,3/4;0,0,0) 8h (x,x+1/2,0;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x,-x+1/2,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.3.1198 I4/m'cm UNI: 140.543 I4/m'cm BNS: 140.543 I4/m'cm Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 16l (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x,-x+1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 16j (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) (x,0,3/4;0,my,-mz) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 8h (x,x+1/2,0;mx,-mx,0) (-x+1/2,x,0;mx,mx,0) (x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;-mx,mx,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 140.4.1199 I4'/mc'm UNI: 140.544 I4'/mc'm BNS: 140.544 I4'/mc'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 16l (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x,-x+1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) (-x+1/2,-x,-z+1/2;mx,-mx,0) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 16j (x,0,1/4;0,my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) (x,0,3/4;0,-my,mz) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x,3/4;-mx,-mx,0) 8h (x,x+1/2,0;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x,-x+1/2,0;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;mx,mx,0) (3/4,1/4,1/4;mx,-mx,0) (1/4,3/4,1/4;-mx,mx,0) (3/4,3/4,1/4;-mx,-mx,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.5.1200 I4'/mcm' UNI: 140.545 I4'/mcm' BNS: 140.545 I4'/mcm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,-z;mx,mx,mz) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) (x,0,3/4;-mx,0,0) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (x,x,3/4;-mx,mx,mz) 8h (x,x+1/2,0;0,0,mz) (-x,x+1/2,1/2;0,0,-mz) (x,-x+1/2,1/2;0,0,-mz) (-x,-x+1/2,0;0,0,mz) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;mx,-mx,mz) (3/4,1/4,1/4;-mx,-mx,-mz) (1/4,3/4,1/4;mx,mx,-mz) (3/4,3/4,1/4;-mx,mx,mz) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,-mz) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.6.1201 I4'/m'c'm UNI: 140.546 I4'/m'c'm BNS: 140.546 I4'/m'c'm Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2) (m-xy|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) 16l (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;-my,-mx,0) (-y,-x,1/2;my,mx,0) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;mx,0,0) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;-mx,-mx,-mz) (x,-x,1/4;mx,mx,-mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x,x,3/4;mx,-mx,-mz) 8h (x,x+1/2,0;mx,-mx,0) (-x,x+1/2,1/2;-mx,-mx,0) (x,-x+1/2,1/2;mx,mx,0) (-x,-x+1/2,0;-mx,mx,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.7.1202 I4/mc'm' UNI: 140.547 I4/mc'm' BNS: 140.547 I4/mc'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0) (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x,x+1/2,-z;-mx,-mx,mz) (-x,-x+1/2,-z;mx,mx,mz) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16j (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (x,0,3/4;0,-my,mz) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (-x,-x,1/4;-mx,mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (x,x,3/4;-mx,mx,mz) 8h (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (-x,-x+1/2,0;0,0,mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 8e (1/4,1/4,1/4;mx,-mx,mz) (3/4,1/4,1/4;mx,mx,mz) (1/4,3/4,1/4;-mx,-mx,mz) (3/4,3/4,1/4;-mx,mx,mz) 4d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,mz) 4a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 140.8.1203 I4'/m'cm' UNI: 140.548 I4'/m'cm' BNS: 140.548 I4'/m'cm' Operators: (1|0,0,0) (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) 16k (x,y,0;mx,my,0) (-y,x,0;my,-mx,0) (y,-x,0;-my,mx,0) (x,-y,1/2;-mx,my,0) (-x,y,1/2;mx,-my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 16j (x,0,1/4;0,my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x,0,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (x,0,3/4;0,my,-mz) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;mx,mx,0) 8h (x,x+1/2,0;mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x,-x+1/2,1/2;-mx,mx,0) (-x,-x+1/2,0;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) 8f (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (1/2,0,1/4;0,0,-mz) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.9.1204 I4/m'c'm' UNI: 140.549 I4/m'c'm' BNS: 140.549 I4/m'c'm' Operators: (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) 16k (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (0,x,3/4;0,mx,0) (x,0,3/4;mx,0,0) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x,3/4;mx,mx,0) 8h (x,x+1/2,0;mx,mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x,-x+1/2,0;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 140.10.1205 I_P4/mcm UNI: 124.362 P4/mcc.1'_I[I4/mcm] BNS: 124.362 P_I4/mcc OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x,-x-1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x-1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x-1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x-1/2,x,-z;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x-1/2,z+1/2;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1;0,0,mz) (-y+1/2,-x+1/2,1;0,0,mz) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (0,-x,-1/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (1/2,x+1/2,3/4;0,-mx,0) (1/2,-x+1/2,3/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (1/2,-x+1/2,1/4;0,-mx,0) (1/2,x+1/2,5/4;0,mx,0) (x+1/2,1/2,5/4;mx,0,0) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,-1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,-1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x+1/2,5/4;mx,-mx,0) (-x+1/2,x+1/2,5/4;-mx,mx,0) (x+1/2,x+1/2,1/4;mx,mx,0) 8h (x,x+1/2,0;0,0,mz) (-x-1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x,-x-1/2,1/2;0,0,-mz) (-x,x+1/2,1/2;0,0,-mz) (-x,-x-1/2,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x-1/2,-x,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (-1/2,0,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8e (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,-1/4,3/4;0,0,0) (-1/4,1/4,3/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (0,1/2,0;0,0,mz) (-1/2,0,0;0,0,mz) (0,-1/2,1/2;0,0,-mz) (-1/2,0,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,1;0,0,mz) 4b (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,0)' (2-xy|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x+1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x+1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x+1/2,x,-z;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x+1/2,z+1/2;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x+1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,0;0,0,mz) (-y+1/2,-x+1/2,0;0,0,mz) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (0,x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (1/2,x+1/2,3/4;0,-mx,0) (1/2,-x+1/2,3/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (1/2,-x+1/2,1/4;0,-mx,0) (1/2,x+1/2,1/4;0,mx,0) (x+1/2,1/2,1/4;mx,0,0) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,3/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x,x,3/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x+1/2,1/4;mx,-mx,0) (-x+1/2,x+1/2,1/4;-mx,mx,0) (x+1/2,x+1/2,1/4;mx,mx,0) 8h (x,x+1/2,0;0,0,mz) (-x+1/2,x,0;0,0,mz) (x+1/2,-x,0;0,0,mz) (x,-x+1/2,1/2;0,0,-mz) (-x,x+1/2,1/2;0,0,-mz) (-x,-x+1/2,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x+1/2,-x,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (1/2,0,z;0,0,mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,1/2,z;0,0,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (0,1/2,0;0,0,mz) (1/2,0,0;0,0,mz) (0,1/2,1/2;0,0,-mz) (1/2,0,1/2;0,0,-mz) 4c (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (1/2,1/2,0;0,0,mz) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) ---------- OG: 140.11.1206 I_P4/m'cm UNI: 130.434 P4/ncc.1'_I[I4/mcm] BNS: 130.434 P_I4/ncc OG-BNS transformation: (-1/4,-1/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,0)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x-1/2,x,z;-mx,mx,mz) (x+1/2,-x,z;mx,-mx,mz) (x+1/2,-x,-z+1;mx,-mx,-mz) (-x+1/2,x+1,-z+1;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1,x+1/2,-z+1;mx,mx,-mz) (-x,-x+1/2,-z+1;-mx,-mx,-mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x+1,-x+1/2,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x,-x-1/2,z+1/2;-mx,mx,-mz) (x+1/2,x+1,-z+1/2;-mx,-mx,mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x+1/2,y+1/2,1;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1;my,mx,0) (-y+1/2,-x+1/2,1;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16j (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/2,x+1/2,3/4;my,0,-mz) (1/2,-x+1/2,3/4;-my,0,-mz) (-x+1/2,1/2,1/4;0,my,mz) (1/2,-x+1/2,1/4;-my,0,mz) (1/2,x+1/2,1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,mz) (x+1/2,-x+1/2,1/4;mx,mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 8h (x,x+1/2,0;mx,mx,0) (-x+1/2,x+1,1;-mx,mx,0) (x+1/2,-x,1;mx,-mx,0) (-x,-x-1/2,0;-mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x,-x-1/2,1/2;-mx,mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,x+1,1/2;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (-1/2,0,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,1/2,-z+1;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 8f (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (1/2,1/2,z+1;0,0,mz) 8e (1/4,1/4,1/4;mx,-mx,mz) (-1/4,1/4,1/4;mx,mx,mz) (1/4,-1/4,1/4;-mx,-mx,mz) (3/4,1/4,3/4;mx,mx,-mz) (1/4,3/4,3/4;-mx,-mx,-mz) (-1/4,-1/4,1/4;-mx,mx,mz) (3/4,3/4,3/4;-mx,mx,-mz) (1/4,1/4,3/4;mx,-mx,-mz) 4d (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (-1/2,0,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (1/2,1/2,1/4;0,0,mz) (0,0,3/4;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,1/2)' (2xy|0,0,0)' (2-xy|1/2,1/2,0)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,1/2)' (mxy|0,0,0)' (m-xy|1/2,1/2,0)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y+1/2,-x+1/2,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y+1/2,x+1/2,z;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x,x,z;-mx,mx,mz) (x+1/2,-x+1/2,z;mx,-mx,mz) (x+1/2,-x+1/2,-z+1/2;mx,-mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x,z;-mx,-mx,mz) (x,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x+1/2,-z;mx,mx,mz) (x,-x,-z;-mx,mx,mz) (-x+1/2,x+1/2,-z;mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x+1/2,x,-z;-mx,-mx,mz) (-x,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,3/4;mx,my,0) (-y+1/2,x,3/4;-my,mx,0) (y,-x+1/2,3/4;my,-mx,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y+1/2,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y+1/2,x+1/2,3/4;my,mx,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,1/4;-my,mx,0) (-y,x+1/2,1/4;my,-mx,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y+1/2,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y+1/2,-x+1/2,1/4;my,mx,0) (y,x,1/4;-my,-mx,0) 16j (x,1/4,0;0,my,mz) (1/4,x,0;-my,0,mz) (1/4,-x+1/2,0;my,0,mz) (x+1/2,3/4,1/2;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (3/4,x+1/2,1/2;my,0,-mz) (3/4,-x,1/2;-my,0,-mz) (-x,3/4,0;0,my,mz) (3/4,-x,0;-my,0,mz) (3/4,x+1/2,0;my,0,mz) (-x+1/2,1/4,1/2;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) (1/4,-x+1/2,1/2;my,0,-mz) (1/4,x,1/2;-my,0,-mz) 16i (x,x,0;mx,-mx,mz) (-x+1/2,x,0;mx,mx,mz) (x,-x+1/2,0;-mx,-mx,mz) (x+1/2,-x,1/2;mx,mx,-mz) (-x,x+1/2,1/2;-mx,-mx,-mz) (-x+1/2,-x+1/2,0;-mx,mx,mz) (x+1/2,x+1/2,1/2;-mx,mx,-mz) (-x,-x,1/2;mx,-mx,-mz) (-x,-x,0;mx,-mx,mz) (x+1/2,-x,0;mx,mx,mz) (-x,x+1/2,0;-mx,-mx,mz) (-x+1/2,x,1/2;mx,mx,-mz) (x,-x+1/2,1/2;-mx,-mx,-mz) (x+1/2,x+1/2,0;-mx,mx,mz) (-x+1/2,-x+1/2,1/2;-mx,mx,-mz) (x,x,1/2;mx,-mx,-mz) 8h (x,x+1/2,3/4;mx,mx,0) (-x,x,3/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x+1/2,-x,3/4;-mx,-mx,0) (-x,-x+1/2,1/4;mx,mx,0) (x,-x,1/4;-mx,mx,0) (-x+1/2,x+1/2,1/4;mx,-mx,0) (x+1/2,x,1/4;-mx,-mx,0) 8g (1/4,3/4,z;0,0,mz) (3/4,1/4,z;0,0,mz) (3/4,1/4,-z+1/2;0,0,-mz) (1/4,3/4,-z+1/2;0,0,-mz) (3/4,1/4,-z;0,0,mz) (1/4,3/4,-z;0,0,mz) (1/4,3/4,z+1/2;0,0,-mz) (3/4,1/4,z+1/2;0,0,-mz) 8f (1/4,1/4,z;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,-z;0,0,mz) (1/4,1/4,z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,-mz) (3/4,3/4,z;0,0,mz) 8e (1/2,1/2,0;mx,-mx,mz) (0,1/2,0;mx,mx,mz) (1/2,0,0;-mx,-mx,mz) (0,1/2,1/2;mx,mx,-mz) (1/2,0,1/2;-mx,-mx,-mz) (0,0,0;-mx,mx,mz) (0,0,1/2;-mx,mx,-mz) (1/2,1/2,1/2;mx,-mx,-mz) 4d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (1/4,1/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4b (1/4,3/4,0;0,0,mz) (3/4,1/4,0;0,0,mz) (3/4,1/4,1/2;0,0,-mz) (1/4,3/4,1/2;0,0,-mz) 4a (1/4,1/4,0;0,0,mz) (3/4,3/4,1/2;0,0,-mz) (3/4,3/4,0;0,0,mz) (1/4,1/4,1/2;0,0,-mz) ---------- OG: 140.12.1207 I_P4'/mc'm UNI: 135.494 P4_2/mbc.1'_I[I4/mcm] BNS: 135.494 P_I4_2/mbc OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;-mx,mx,mz) (x+1,-x+1/2,z+1/2;mx,-mx,mz) (x+1/2,-x,-z+1;mx,-mx,-mz) (-x+1/2,x+1,-z+1;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1/2,x,-z+1/2;mx,mx,-mz) (-x-1/2,-x,-z+1/2;-mx,-mx,-mz) (-x,-x-1/2,-z;mx,mx,mz) (x+1,-x+1/2,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,x+1,z+1;mx,-mx,-mz) (x+1/2,-x,z+1;-mx,mx,-mz) (x,x+1/2,-z;-mx,-mx,mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1;0,0,mz) (-y+1/2,-x+1/2,1;0,0,mz) 16j (x,0,1/4;0,my,mz) (1/2,x+1/2,3/4;-my,0,mz) (1/2,-x+1/2,3/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x,0,-1/4;0,my,mz) (1/2,-x+1/2,1/4;-my,0,mz) (1/2,x+1/2,1/4;my,0,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x+1/2,1/2,5/4;0,my,-mz) (x,0,-1/4;0,-my,mz) (0,-x,3/4;my,0,-mz) (0,x,3/4;-my,0,-mz) 16i (x,x,1/4;mx,mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,-x,-1/4;mx,mx,0) (x+1/2,-x+1/2,5/4;-mx,mx,0) (-x+1/2,x+1/2,5/4;mx,-mx,0) (x,x,-1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x+1/2,-x+1/2,1/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x+1/2,x+1/2,1/4;mx,mx,0) 8h (x,x+1/2,0;0,0,mz) (-x,x+1/2,1/2;0,0,mz) (x+1,-x+1/2,1/2;0,0,mz) (x+1/2,-x,1;0,0,-mz) (-x+1/2,x+1,1;0,0,-mz) (-x,-x-1/2,0;0,0,mz) (x+1/2,x,1/2;0,0,-mz) (-x-1/2,-x,1/2;0,0,-mz) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,0,-z+1;0,0,-mz) (-1/2,0,-z+1/2;0,0,-mz) (0,-1/2,-z;0,0,mz) (1,1/2,-z+1/2;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 8f (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,z+1;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (3/4,1/4,5/4;0,0,0) (1/4,3/4,5/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 4d (0,1/2,0;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,1;0,0,-mz) (-1/2,0,1/2;0,0,-mz) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,mz) (0,1/2,3/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (-1/2,0,1/4;0,0,-mz) 4a (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,5/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16l (x,x,z;mx,mx,mz) (-x,x,z+1/2;-mx,mx,mz) (x,-x,z+1/2;mx,-mx,mz) (x+1/2,-x+1/2,-z;mx,-mx,-mz) (-x+1/2,x+1/2,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (-x,x,-z+1/2;mx,-mx,mz) (-x+1/2,x+1/2,z;mx,-mx,-mz) (x+1/2,-x+1/2,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16k (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1/2;0,0,-mz) (-y+1/2,-x+1/2,1/2;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,0;0,0,mz) (-y,-x,0;0,0,mz) 16j (x,0,1/4;0,my,mz) (0,x,3/4;-my,0,mz) (0,-x,3/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/2,x+1/2,1/4;my,0,-mz) (1/2,-x+1/2,1/4;-my,0,-mz) (-x,0,3/4;0,my,mz) (0,-x,1/4;-my,0,mz) (0,x,1/4;my,0,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x,0,3/4;0,-my,mz) (1/2,-x+1/2,3/4;my,0,-mz) (1/2,x+1/2,3/4;-my,0,-mz) 16i (x,x+1/2,1/4;mx,mx,0) (-x+1/2,x,3/4;-mx,mx,0) (x+1/2,-x,3/4;mx,-mx,0) (-x,-x+1/2,1/4;-mx,-mx,0) (-x,-x+1/2,3/4;mx,mx,0) (x+1/2,-x,1/4;-mx,mx,0) (-x+1/2,x,1/4;mx,-mx,0) (x,x+1/2,3/4;-mx,-mx,0) (x+1/2,x,3/4;-mx,-mx,0) (-x,x+1/2,1/4;mx,-mx,0) (x,-x+1/2,1/4;-mx,mx,0) (-x+1/2,-x,3/4;mx,mx,0) (-x+1/2,-x,1/4;-mx,-mx,0) (x,-x+1/2,3/4;mx,-mx,0) (-x,x+1/2,3/4;-mx,mx,0) (x+1/2,x,1/4;mx,mx,0) 8h (x,x,0;0,0,mz) (-x,x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (x+1/2,-x+1/2,0;0,0,-mz) (-x+1/2,x+1/2,0;0,0,-mz) (-x,-x,0;0,0,mz) (x+1/2,x+1/2,1/2;0,0,-mz) (-x+1/2,-x+1/2,1/2;0,0,-mz) 8g (1/2,1/2,z;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (0,0,z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 8f (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) 8e (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4d (1/2,1/2,0;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,0,0;0,0,-mz) (0,0,1/2;0,0,-mz) 4c (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 4b (1/2,1/2,1/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (0,0,3/4;0,0,-mz) (0,0,1/4;0,0,-mz) 4a (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 140.13.1208 I_P4'/mcm' UNI: 132.458 P4_2/mcm.1'_I[I4/mcm] BNS: 132.458 P_I4_2/mcm OG-BNS transformation: (1/2,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x,x+1/2,z+1/2;mx,mx,0) (x+1,-x+1/2,z+1/2;-mx,-mx,0) (x,-x-1/2,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1,x+1/2,-z+1;-mx,mx,0) (-x,-x+1/2,-z+1;mx,-mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x-1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x+1/2,-x,-z+1;-mx,-mx,0) (-x+1/2,x+1,-z+1;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) (x+1/2,x,-z+1/2;mx,-mx,0) (-x-1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,0;0,0,mz) (-y+1/2,x+1/2,1/2;0,0,mz) (y+1/2,-x+1/2,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1;0,0,-mz) (-y+1/2,-x+1/2,1;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y,x,0;0,0,-mz) (y,-x,0;0,0,-mz) (x+1/2,-y+1/2,1;0,0,mz) (-x+1/2,y+1/2,1;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16j (x,0,1/4;mx,0,0) (1/2,x+1/2,3/4;0,mx,0) (1/2,-x+1/2,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,-1/4;mx,0,0) (1/2,-x+1/2,1/4;0,mx,0) (1/2,x+1/2,5/4;0,-mx,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (0,-x,-1/4;0,-mx,0) (0,x,3/4;0,mx,0) (x+1/2,1/2,5/4;mx,0,0) 16i (x,x,1/4;mx,-mx,mz) (-x+1/2,x+1/2,3/4;mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (x,-x,1/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x,-x,-1/4;mx,-mx,mz) (x+1/2,-x+1/2,1/4;mx,mx,mz) (-x+1/2,x+1/2,1/4;-mx,-mx,mz) (-x,x,3/4;mx,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (x,x,-1/4;-mx,mx,mz) (-x+1/2,-x+1/2,5/4;-mx,mx,-mz) (x+1/2,x+1/2,5/4;mx,-mx,-mz) 8h (x,x+1/2,0;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x-1/2,1/2;0,0,0) (-x,-x-1/2,0;0,0,0) (x+1/2,x+1,1/2;0,0,0) (-x+1/2,x+1,1;0,0,0) (x+1/2,-x,1;0,0,0) (-x+1/2,-x,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (0,-1/2,-z+1/2;0,0,0) (0,1/2,-z+1;0,0,0) (1/2,1,z+1/2;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z+1;0,0,0) (-1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,-z+1;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z+1;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,0,1;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1,3/4;0,0,0) (-1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,-1/4;0,0,0) (1/2,1/2,5/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|0,0,1/2) (4z-1|0,0,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|0,0,1/2) (-4z-1|0,0,1/2) (mx|0,0,1/2) (my|0,0,1/2) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,0)' (4z-1|1/2,1/2,0)' (2x|1/2,1/2,0)' (2y|1/2,1/2,0)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,0)' (-4z-1|1/2,1/2,0)' (mx|1/2,1/2,0)' (my|1/2,1/2,0)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y,x,z+1/2;-my,mx,mz) (y,-x,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z+1/2;-my,mx,mz) (-y,x,-z+1/2;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z;my,-mx,-mz) (y+1/2,-x+1/2,z;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y+1/2,-z;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x+1/2,-z;-my,mx,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x+1/2,-y+1/2,z;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16l (x,x,z;mx,-mx,0) (-x,x,z+1/2;mx,mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z;-mx,-mx,0) (x+1/2,-x+1/2,z;mx,mx,0) (x+1/2,-x+1/2,-z;-mx,-mx,0) (-x+1/2,x+1/2,-z;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16k (x,y,0;0,0,mz) (-y,x,1/2;0,0,mz) (y,-x,1/2;0,0,mz) (x,-y,1/2;0,0,-mz) (-x,y,1/2;0,0,-mz) (-x,-y,0;0,0,mz) (y,x,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,0;0,0,-mz) (y+1/2,-x+1/2,0;0,0,-mz) (x+1/2,-y+1/2,0;0,0,mz) (-x+1/2,y+1/2,0;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y+1/2,x+1/2,1/2;0,0,mz) (-y+1/2,-x+1/2,1/2;0,0,mz) 16j (x,0,1/4;mx,0,0) (0,x,3/4;0,mx,0) (0,-x,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x,0,3/4;mx,0,0) (0,-x,1/4;0,mx,0) (0,x,1/4;0,-mx,0) (x,0,3/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (1/2,x+1/2,1/4;0,-mx,0) (1/2,-x+1/2,1/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x+1/2,1/2,1/4;-mx,0,0) (1/2,-x+1/2,3/4;0,-mx,0) (1/2,x+1/2,3/4;0,mx,0) (x+1/2,1/2,1/4;mx,0,0) 16i (x,x+1/2,1/4;mx,-mx,mz) (-x+1/2,x,3/4;mx,mx,mz) (x+1/2,-x,3/4;-mx,-mx,mz) (x,-x+1/2,1/4;mx,mx,-mz) (-x,x+1/2,1/4;-mx,-mx,-mz) (-x,-x+1/2,1/4;-mx,mx,mz) (x+1/2,x,3/4;-mx,mx,-mz) (-x+1/2,-x,3/4;mx,-mx,-mz) (-x,-x+1/2,3/4;mx,-mx,mz) (x+1/2,-x,1/4;mx,mx,mz) (-x+1/2,x,1/4;-mx,-mx,mz) (-x,x+1/2,3/4;mx,mx,-mz) (x,-x+1/2,3/4;-mx,-mx,-mz) (x,x+1/2,3/4;-mx,mx,mz) (-x+1/2,-x,1/4;-mx,mx,-mz) (x+1/2,x,1/4;mx,-mx,-mz) 8h (x,x,0;0,0,0) (-x,x,1/2;0,0,0) (x,-x,1/2;0,0,0) (-x,-x,0;0,0,0) (x+1/2,x+1/2,1/2;0,0,0) (-x+1/2,x+1/2,0;0,0,0) (x+1/2,-x+1/2,0;0,0,0) (-x+1/2,-x+1/2,1/2;0,0,0) 8g (1/2,1/2,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,1/2,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 8f (1/2,0,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z;0,0,0) 8e (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) 4d (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (0,0,0;0,0,0) 4c (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,0;0,0,0) 4b (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) 4a (1/2,0,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,1/4;0,0,0) ---------- OG: 140.14.1209 I_P4'/m'c'm UNI: 133.470 P4_2/nbc.1'_I[I4/mcm] BNS: 133.470 P_I4_2/nbc OG-BNS transformation: (-3/4,-1/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|1/2,1/2,1/2) (mxy|0,0,1/2) (m-xy|0,0,1/2) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|1/2,1/2,1)' (m-xy|1/2,1/2,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y,x,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1;-my,-mx,mz) (y+1/2,x+1/2,z+1;my,mx,mz) 16l (x,x+1/2,z;mx,mx,mz) (-x,x+1/2,z+1/2;-mx,mx,mz) (x+1,-x+1/2,z+1/2;mx,-mx,mz) (x,-x-1/2,-z+1/2;mx,-mx,-mz) (-x,x+1/2,-z+1/2;-mx,mx,-mz) (-x,-x-1/2,z;-mx,-mx,mz) (x+1,x+1/2,-z+1;mx,mx,-mz) (-x,-x+1/2,-z+1;-mx,-mx,-mz) (-x+1/2,-x,-z+1/2;mx,mx,mz) (x+1/2,-x,-z;-mx,mx,mz) (-x-1/2,x,-z;mx,-mx,mz) (-x+1/2,x+1,z+1;mx,-mx,-mz) (x+1/2,-x,z+1;-mx,mx,-mz) (x+1/2,x+1,-z+1/2;-mx,-mx,mz) (-x-1/2,-x,z+1/2;mx,mx,-mz) (x+1/2,x,z+1/2;-mx,-mx,-mz) 16k (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y+1/2,x+1/2,1;my,mx,0) (-y+1/2,-x+1/2,1;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x+1/2,y+1/2,1;mx,-my,0) (x+1/2,-y+1/2,1;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y,-x,1/2;my,mx,0) (y,x,1/2;-my,-mx,0) 16j (x,0,1/4;mx,0,0) (1/2,x+1/2,3/4;0,mx,0) (1/2,-x+1/2,3/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (0,-x,-1/4;0,mx,0) (0,x,3/4;0,-mx,0) (x+1/2,1/2,5/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (0,x,1/4;0,-mx,0) (0,-x,1/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (1/2,-x+1/2,1/4;0,-mx,0) (1/2,x+1/2,5/4;0,mx,0) (x,0,3/4;mx,0,0) 16i (x,x,1/4;mx,-mx,mz) (-x+1/2,x+1/2,3/4;mx,mx,mz) (x+1/2,-x+1/2,3/4;-mx,-mx,mz) (x,-x,1/4;mx,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x+1/2,-x+1/2,1/4;mx,-mx,mz) (x,-x,-1/4;mx,mx,mz) (-x,x,-1/4;-mx,-mx,mz) (-x+1/2,x+1/2,5/4;mx,mx,-mz) (x+1/2,-x+1/2,5/4;-mx,-mx,-mz) (x+1/2,x+1/2,1/4;-mx,mx,mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) 8h (x,x+1/2,0;mx,mx,0) (-x,x+1/2,1/2;-mx,mx,0) (x,-x-1/2,1/2;mx,-mx,0) (-x,-x-1/2,0;-mx,-mx,0) (-x+1/2,-x,1/2;mx,mx,0) (x+1/2,-x,1;-mx,mx,0) (-x+1/2,x+1,1;mx,-mx,0) (x+1/2,x+1,1/2;-mx,-mx,0) 8g (0,1/2,z;0,0,mz) (0,1/2,z+1/2;0,0,mz) (0,-1/2,-z+1/2;0,0,-mz) (0,1/2,-z+1;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1,z+1;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) 8f (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,-z+1;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (1/2,1/2,z+1;0,0,0) (0,0,z+1/2;0,0,0) 8e (1/4,1/4,1/4;mx,-mx,mz) (1/4,3/4,3/4;mx,mx,mz) (3/4,1/4,3/4;-mx,-mx,mz) (1/4,-1/4,1/4;mx,mx,-mz) (-1/4,1/4,1/4;-mx,-mx,-mz) (-1/4,-1/4,1/4;-mx,mx,mz) (3/4,3/4,3/4;-mx,mx,-mz) (1/4,1/4,3/4;mx,-mx,-mz) 4d (0,1/2,0;0,0,0) (0,-1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1,1;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) 16l (x,x,z;mx,mx,mz) (-x+1/2,x,z+1/2;-mx,mx,mz) (x,-x+1/2,z+1/2;mx,-mx,mz) (x,-x+1/2,-z;mx,-mx,-mz) (-x+1/2,x,-z;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x,-x,-z;mx,mx,mz) (x+1/2,-x,-z+1/2;-mx,mx,mz) (-x,x+1/2,-z+1/2;mx,-mx,mz) (-x,x+1/2,z;mx,-mx,-mz) (x+1/2,-x,z;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) 16k (x,y,3/4;mx,my,0) (-y+1/2,x,1/4;-my,mx,0) (y,-x+1/2,1/4;my,-mx,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y,x,3/4;my,mx,0) (-y+1/2,-x+1/2,3/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,3/4;-my,mx,0) (-y,x+1/2,3/4;my,-mx,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y,-x,1/4;my,mx,0) (y+1/2,x+1/2,1/4;-my,-mx,0) 16j (x,1/4,0;mx,0,0) (1/4,x,1/2;0,mx,0) (1/4,-x+1/2,1/2;0,-mx,0) (-x+1/2,1/4,0;-mx,0,0) (-x,3/4,0;mx,0,0) (3/4,-x,1/2;0,mx,0) (3/4,x+1/2,1/2;0,-mx,0) (x+1/2,3/4,0;-mx,0,0) (x+1/2,3/4,1/2;-mx,0,0) (3/4,x+1/2,0;0,-mx,0) (3/4,-x,0;0,mx,0) (-x,3/4,1/2;mx,0,0) (-x+1/2,1/4,1/2;-mx,0,0) (1/4,-x+1/2,0;0,-mx,0) (1/4,x,0;0,mx,0) (x,1/4,1/2;mx,0,0) 16i (x,x+1/2,0;mx,-mx,mz) (-x,x,1/2;mx,mx,mz) (x+1/2,-x+1/2,1/2;-mx,-mx,mz) (x,-x,0;mx,mx,-mz) (-x+1/2,x+1/2,0;-mx,-mx,-mz) (-x+1/2,-x,0;-mx,mx,mz) (x+1/2,x,1/2;-mx,mx,-mz) (-x,-x+1/2,1/2;mx,-mx,-mz) (-x,-x+1/2,0;mx,-mx,mz) (x,-x,1/2;mx,mx,mz) (-x+1/2,x+1/2,1/2;-mx,-mx,mz) (-x,x,0;mx,mx,-mz) (x+1/2,-x+1/2,0;-mx,-mx,-mz) (x+1/2,x,0;-mx,mx,mz) (-x+1/2,-x,1/2;-mx,mx,-mz) (x,x+1/2,1/2;mx,-mx,-mz) 8h (x,x,3/4;mx,mx,0) (-x+1/2,x,1/4;-mx,mx,0) (x,-x+1/2,1/4;mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,-mx,0) (-x,-x,1/4;mx,mx,0) (x+1/2,-x,3/4;-mx,mx,0) (-x,x+1/2,3/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) 8g (3/4,3/4,z;0,0,mz) (3/4,3/4,z+1/2;0,0,mz) (3/4,3/4,-z;0,0,-mz) (3/4,3/4,-z+1/2;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,-z+1/2;0,0,mz) (1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,z+1/2;0,0,0) 8e (0,1/2,0;mx,-mx,mz) (0,0,1/2;mx,mx,mz) (1/2,1/2,1/2;-mx,-mx,mz) (0,0,0;mx,mx,-mz) (1/2,1/2,0;-mx,-mx,-mz) (1/2,0,0;-mx,mx,mz) (1/2,0,1/2;-mx,mx,-mz) (0,1/2,1/2;mx,-mx,-mz) 4d (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 4b (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 140.15.1210 I_P4/mc'm' UNI: 127.398 P4/mbm.1'_I[I4/mcm] BNS: 127.398 P_I4/mbm OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|1/2,1/2,1) (2-xy|1/2,1/2,1) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|0,0,0) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1;my,mx,-mz) (-y+1/2,-x+1/2,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z+1;mx,mx,0) (-x+1/2,x+1,-z+1;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1,x+1/2,-z+1;-mx,mx,0) (-x,-x+1/2,-z+1;mx,-mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x+1,-x+1/2,z+1/2;mx,mx,0) (x,-x-1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) (x+1/2,x,-z+1/2;mx,-mx,0) (-x-1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,1;0,0,-mz) (-x+1/2,y+1/2,1;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,1;0,0,-mz) (-y+1/2,-x+1/2,1;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16j (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/2,x+1/2,3/4;my,0,-mz) (1/2,-x+1/2,3/4;-my,0,-mz) (-x,0,-1/4;0,my,mz) (0,-x,-1/4;-my,0,mz) (0,x,-1/4;my,0,mz) (-x+1/2,1/2,5/4;0,-my,-mz) (x+1/2,1/2,5/4;0,my,-mz) (x,0,-1/4;0,-my,mz) (1/2,-x+1/2,5/4;my,0,-mz) (1/2,x+1/2,5/4;-my,0,-mz) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x,-x,-1/4;mx,-mx,mz) (x,-x,-1/4;mx,mx,mz) (-x,x,-1/4;-mx,-mx,mz) (-x+1/2,x+1/2,5/4;mx,mx,-mz) (x+1/2,-x+1/2,5/4;-mx,-mx,-mz) (x,x,-1/4;-mx,mx,mz) (-x+1/2,-x+1/2,5/4;-mx,mx,-mz) (x+1/2,x+1/2,5/4;mx,-mx,-mz) 8h (x,x+1/2,0;0,0,0) (-x+1/2,x+1,1;0,0,0) (x+1/2,-x,1;0,0,0) (-x,-x-1/2,0;0,0,0) (x+1/2,x+1,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x-1/2,1/2;0,0,0) (-x+1/2,-x,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (1/2,0,-z+1;0,0,0) (0,1/2,-z+1;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,-1/2,-z+1/2;0,0,0) (-1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,mz) (1/2,1/2,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (1/4,1/4,1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (1/2,1,1/2;0,0,0) (0,-1/2,1/2;0,0,0) 4c (0,0,0;0,0,mz) (1/2,1/2,1;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,-1/4;0,0,mz) (1/2,1/2,5/4;0,0,-mz) Operators (BNS): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|1/2,1/2,0) (2y|1/2,1/2,0) (2z|0,0,0) (2xy|1/2,1/2,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,0) (my|1/2,1/2,0) (mz|0,0,0) (mxy|1/2,1/2,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,1/2)' (2-xy|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y+1/2,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,-y+1/2,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x+1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x+1/2,-x,-z;mx,mx,0) (-x+1/2,x,-z;-mx,-mx,0) (-x,-x+1/2,z;-mx,mx,0) (x,x+1/2,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x,-x+1/2,z+1/2;mx,mx,0) (x,-x+1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) (x+1/2,x,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,0;0,0,mz) (-y,x,0;0,0,mz) (y,-x,0;0,0,mz) (x+1/2,-y+1/2,0;0,0,-mz) (-x+1/2,y+1/2,0;0,0,-mz) (-x,-y,0;0,0,mz) (y+1/2,x+1/2,0;0,0,-mz) (-y+1/2,-x+1/2,0;0,0,-mz) (x+1/2,y+1/2,1/2;0,0,-mz) (-y+1/2,x+1/2,1/2;0,0,-mz) (y+1/2,-x+1/2,1/2;0,0,-mz) (x,-y,1/2;0,0,mz) (-x,y,1/2;0,0,mz) (-x+1/2,-y+1/2,1/2;0,0,-mz) (y,x,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 16j (x,0,1/4;0,my,mz) (0,x,1/4;-my,0,mz) (0,-x,1/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/2,x+1/2,3/4;my,0,-mz) (1/2,-x+1/2,3/4;-my,0,-mz) (-x,0,3/4;0,my,mz) (0,-x,3/4;-my,0,mz) (0,x,3/4;my,0,mz) (-x+1/2,1/2,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,my,-mz) (x,0,3/4;0,-my,mz) (1/2,-x+1/2,1/4;my,0,-mz) (1/2,x+1/2,1/4;-my,0,-mz) 16i (x,x,1/4;mx,-mx,mz) (-x,x,1/4;mx,mx,mz) (x,-x,1/4;-mx,-mx,mz) (x+1/2,-x+1/2,3/4;mx,mx,-mz) (-x+1/2,x+1/2,3/4;-mx,-mx,-mz) (-x,-x,1/4;-mx,mx,mz) (x+1/2,x+1/2,3/4;-mx,mx,-mz) (-x+1/2,-x+1/2,3/4;mx,-mx,-mz) (-x,-x,3/4;mx,-mx,mz) (x,-x,3/4;mx,mx,mz) (-x,x,3/4;-mx,-mx,mz) (-x+1/2,x+1/2,1/4;mx,mx,-mz) (x+1/2,-x+1/2,1/4;-mx,-mx,-mz) (x,x,3/4;-mx,mx,mz) (-x+1/2,-x+1/2,1/4;-mx,mx,-mz) (x+1/2,x+1/2,1/4;mx,-mx,-mz) 8h (x,x+1/2,0;0,0,0) (-x+1/2,x,0;0,0,0) (x+1/2,-x,0;0,0,0) (-x,-x+1/2,0;0,0,0) (x+1/2,x,1/2;0,0,0) (-x,x+1/2,1/2;0,0,0) (x,-x+1/2,1/2;0,0,0) (-x+1/2,-x,1/2;0,0,0) 8g (0,1/2,z;0,0,0) (1/2,0,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) 8f (0,0,z;0,0,mz) (1/2,1/2,-z;0,0,-mz) (0,0,-z;0,0,mz) (1/2,1/2,z;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4d (0,1/2,0;0,0,0) (1/2,0,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4c (0,0,0;0,0,mz) (1/2,1/2,0;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,0,1/2;0,0,mz) 4b (0,1/2,1/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,mz) (1/2,1/2,3/4;0,0,-mz) (0,0,3/4;0,0,mz) (1/2,1/2,1/4;0,0,-mz) ---------- OG: 140.16.1211 I_P4'/m'cm' UNI: 138.530 P4_2/ncm.1'_I[I4/mcm] BNS: 138.530 P_I4_2/ncm OG-BNS transformation: (-3/4,-1/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|1/2,1/2,1) (2y|1/2,1/2,1) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|1/2,1/2,1/2) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,1/2) (my|0,0,1/2) (mz|1/2,1/2,1/2) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,1/2)' (2y|0,0,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|0,0,0)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1)' (my|1/2,1/2,1)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1/2,y+1/2,-z+1;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,y,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1/2,-y+1/2,z+1;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x,x+1/2,z+1/2;mx,mx,0) (x+1,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,-z+1;mx,mx,0) (-x+1/2,x+1,-z+1;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) (-x-1/2,-x,-z+1/2;mx,-mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x-1/2,x,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x,-x-1/2,-z+1/2;-mx,-mx,0) (-x,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) (x+1,x+1/2,-z+1;mx,-mx,0) (-x,-x+1/2,-z+1;-mx,mx,0) 16k (x,y,0;mx,my,0) (-y+1/2,x+1/2,1/2;-my,mx,0) (y+1/2,-x+1/2,1/2;my,-mx,0) (x+1/2,-y+1/2,1;mx,-my,0) (-x+1/2,y+1/2,1;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y,-x,0;-my,mx,0) (-y,x,0;my,-mx,0) (-x,y,1/2;mx,-my,0) (x,-y,1/2;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y+1/2,-x+1/2,1;my,mx,0) (y+1/2,x+1/2,1;-my,-mx,0) 16j (x,0,1/4;0,my,mz) (1/2,x+1/2,3/4;-my,0,mz) (1/2,-x+1/2,3/4;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (0,x,1/4;my,0,-mz) (0,-x,1/4;-my,0,-mz) (-x+1/2,1/2,1/4;0,my,mz) (0,-x,-1/4;-my,0,mz) (0,x,-1/4;my,0,mz) (-x,0,3/4;0,-my,-mz) (x,0,3/4;0,my,-mz) (x+1/2,1/2,1/4;0,-my,mz) (1/2,-x+1/2,5/4;my,0,-mz) (1/2,x+1/2,5/4;-my,0,-mz) 16i (x,x,1/4;mx,mx,0) (-x+1/2,x+1/2,3/4;-mx,mx,0) (x+1/2,-x+1/2,3/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (x,-x,3/4;-mx,mx,0) (-x,x,3/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x,x,1/4;mx,-mx,0) (x,-x,1/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x,-x,-1/4;-mx,-mx,0) (x+1/2,-x+1/2,5/4;mx,-mx,0) (-x+1/2,x+1/2,5/4;-mx,mx,0) (x,x,-1/4;mx,mx,0) 8h (x,x+1/2,0;mx,-mx,0) (-x,x+1/2,1/2;mx,mx,0) (x+1,-x+1/2,1/2;-mx,-mx,0) (x+1/2,-x,1;mx,mx,0) (-x+1/2,x+1,1;-mx,-mx,0) (-x,-x-1/2,0;-mx,mx,0) (x+1/2,x,1/2;-mx,mx,0) (-x-1/2,-x,1/2;mx,-mx,0) 8g (0,1/2,z;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1;0,0,0) (-1/2,0,-z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z+1/2;0,0,0) (0,1/2,-z+1;0,0,0) 8f (0,0,z;0,0,0) (1/2,1/2,z+1/2;0,0,0) (1/2,1/2,-z+1;0,0,0) (0,0,-z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (1/2,1/2,z+1;0,0,0) 8e (1/4,1/4,1/4;mx,mx,0) (1/4,3/4,3/4;-mx,mx,0) (3/4,1/4,3/4;mx,-mx,0) (-1/4,-1/4,1/4;-mx,-mx,0) (3/4,3/4,3/4;-mx,-mx,0) (-1/4,1/4,1/4;mx,-mx,0) (1/4,-1/4,1/4;-mx,mx,0) (1/4,1/4,3/4;mx,mx,0) 4d (0,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1;0,0,0) (-1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) (0,0,1/2;0,0,0) 4b (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (-1/2,0,1/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,0,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,1/2) (4z-1|0,1/2,1/2) (2x|1/2,0,1/2) (2y|0,1/2,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (-1|0,0,0) (-4z|1/2,0,1/2) (-4z-1|0,1/2,1/2) (mx|1/2,0,1/2) (my|0,1/2,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (1|1/2,1/2,1/2)' (4z|0,1/2,0)' (4z-1|1/2,0,0)' (2x|0,1/2,0)' (2y|1/2,0,0)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,0)' (-4z-1|1/2,0,0)' (mx|0,1/2,0)' (my|1/2,0,0)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y+1/2,x,z+1/2;-my,mx,mz) (y,-x+1/2,z+1/2;my,-mx,mz) (x+1/2,-y,-z+1/2;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z+1/2;-my,mx,mz) (-y,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z;my,-mx,-mz) (y+1/2,-x,z;-my,mx,-mz) (x,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z;my,-mx,-mz) (-y+1/2,x,-z;-my,mx,-mz) (-x,y+1/2,z;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) 16l (x,x,z;mx,-mx,0) (-x+1/2,x,z+1/2;mx,mx,0) (x,-x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (-x,x+1/2,z;-mx,-mx,0) (x+1/2,-x,z;mx,mx,0) (x,-x+1/2,-z;-mx,-mx,0) (-x+1/2,x,-z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) 16k (x,y,3/4;mx,my,0) (-y+1/2,x,1/4;-my,mx,0) (y,-x+1/2,1/4;my,-mx,0) (x+1/2,-y,3/4;mx,-my,0) (-x,y+1/2,3/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y+1/2,x+1/2,1/4;my,mx,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,3/4;-my,mx,0) (-y,x+1/2,3/4;my,-mx,0) (-x+1/2,y,1/4;mx,-my,0) (x,-y+1/2,1/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y+1/2,-x+1/2,3/4;my,mx,0) (y,x,3/4;-my,-mx,0) 16j (x,1/4,0;0,my,mz) (1/4,x,1/2;-my,0,mz) (1/4,-x+1/2,1/2;my,0,mz) (x+1/2,3/4,1/2;0,-my,-mz) (-x,3/4,1/2;0,my,-mz) (-x+1/2,1/4,0;0,-my,mz) (3/4,x+1/2,0;my,0,-mz) (3/4,-x,0;-my,0,-mz) (-x,3/4,0;0,my,mz) (3/4,-x,1/2;-my,0,mz) (3/4,x+1/2,1/2;my,0,mz) (-x+1/2,1/4,1/2;0,-my,-mz) (x,1/4,1/2;0,my,-mz) (x+1/2,3/4,0;0,-my,mz) (1/4,-x+1/2,0;my,0,-mz) (1/4,x,0;-my,0,-mz) 16i (x,x+1/2,0;mx,mx,0) (-x,x,1/2;-mx,mx,0) (x+1/2,-x+1/2,1/2;mx,-mx,0) (-x+1/2,-x,0;-mx,-mx,0) (-x,-x+1/2,0;mx,mx,0) (x,-x,1/2;-mx,mx,0) (-x+1/2,x+1/2,1/2;mx,-mx,0) (x+1/2,x,0;-mx,-mx,0) (x+1/2,x,1/2;-mx,-mx,0) (-x+1/2,x+1/2,0;mx,-mx,0) (x,-x,0;-mx,mx,0) (-x,-x+1/2,1/2;mx,mx,0) (-x+1/2,-x,1/2;-mx,-mx,0) (x+1/2,-x+1/2,0;mx,-mx,0) (-x,x,0;-mx,mx,0) (x,x+1/2,1/2;mx,mx,0) 8h (x,x,3/4;mx,-mx,0) (-x+1/2,x,1/4;mx,mx,0) (x,-x+1/2,1/4;-mx,-mx,0) (x+1/2,-x,3/4;mx,mx,0) (-x,x+1/2,3/4;-mx,-mx,0) (-x+1/2,-x+1/2,3/4;-mx,mx,0) (x+1/2,x+1/2,1/4;-mx,mx,0) (-x,-x,1/4;mx,-mx,0) 8g (3/4,3/4,z;0,0,0) (3/4,3/4,z+1/2;0,0,0) (1/4,1/4,-z+1/2;0,0,0) (1/4,1/4,-z;0,0,0) (1/4,1/4,z+1/2;0,0,0) (1/4,1/4,z;0,0,0) (3/4,3/4,-z;0,0,0) (3/4,3/4,-z+1/2;0,0,0) 8f (3/4,1/4,z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (3/4,1/4,-z+1/2;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,z;0,0,0) 8e (0,1/2,0;mx,mx,0) (0,0,1/2;-mx,mx,0) (1/2,1/2,1/2;mx,-mx,0) (1/2,0,0;-mx,-mx,0) (1/2,0,1/2;-mx,-mx,0) (1/2,1/2,0;mx,-mx,0) (0,0,0;-mx,mx,0) (0,1/2,1/2;mx,mx,0) 4d (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 4c (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (3/4,3/4,0;0,0,0) (3/4,3/4,1/2;0,0,0) (1/4,1/4,1/2;0,0,0) (1/4,1/4,0;0,0,0) 4a (3/4,1/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) ---------- OG: 140.17.1212 I_P4/m'c'm' UNI: 125.374 P4/nbm.1'_I[I4/mcm] BNS: 125.374 P_I4/nbm OG-BNS transformation: (-3/4,-3/4,1/4;a,b,c) Operators (OG): (1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,1/2) (2y|0,0,1/2) (2z|0,0,0) (2xy|0,0,1/2) (2-xy|0,0,1/2) (-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1) (my|1/2,1/2,1) (mz|1/2,1/2,1/2) (mxy|1/2,1/2,1) (m-xy|1/2,1/2,1) (1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1)' (2y|1/2,1/2,1)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1)' (2-xy|1/2,1/2,1)' (-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,1/2)' (my|0,0,1/2)' (mz|0,0,0)' (mxy|0,0,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 32m (x,y,z;mx,my,mz) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x,y,-z+1/2;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1;mx,-my,-mz) (x+1/2,-y+1/2,z+1;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y+1/2,-x+1/2,z+1;my,mx,-mz) (y+1/2,x+1/2,z+1;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1;-mx,my,mz) (-x+1/2,y+1/2,-z+1;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y,z+1/2;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x-1/2,x,z;mx,mx,0) (x+1/2,-x,z;-mx,-mx,0) (x,-x-1/2,-z+1/2;mx,mx,0) (-x,x+1/2,-z+1/2;-mx,-mx,0) (-x,-x-1/2,z;-mx,mx,0) (x+1/2,x,-z+1/2;-mx,mx,0) (-x-1/2,-x,-z+1/2;mx,-mx,0) (x+1/2,x+1,z+1/2;-mx,mx,0) (-x,x+1/2,z+1/2;-mx,-mx,0) (x+1,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,-z+1;-mx,-mx,0) (-x+1/2,x+1,-z+1;mx,mx,0) (-x+1/2,-x,z+1/2;mx,-mx,0) (x+1,x+1/2,-z+1;mx,-mx,0) (-x,-x+1/2,-z+1;-mx,mx,0) 16k (x,y,0;mx,my,0) (-y,x,0;-my,mx,0) (y,-x,0;my,-mx,0) (x,-y,1/2;mx,-my,0) (-x,y,1/2;-mx,my,0) (-x,-y,0;-mx,-my,0) (y,x,1/2;my,mx,0) (-y,-x,1/2;-my,-mx,0) (-x+1/2,-y+1/2,1/2;mx,my,0) (y+1/2,-x+1/2,1/2;-my,mx,0) (-y+1/2,x+1/2,1/2;my,-mx,0) (-x+1/2,y+1/2,1;mx,-my,0) (x+1/2,-y+1/2,1;-mx,my,0) (x+1/2,y+1/2,1/2;-mx,-my,0) (-y+1/2,-x+1/2,1;my,mx,0) (y+1/2,x+1/2,1;-my,-mx,0) 16j (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (0,-x,1/4;0,-mx,0) (-x,0,1/4;-mx,0,0) (-x+1/2,1/2,1/4;mx,0,0) (1/2,-x+1/2,1/4;0,mx,0) (1/2,x+1/2,5/4;0,-mx,0) (x+1/2,1/2,5/4;-mx,0,0) (x+1/2,1/2,3/4;-mx,0,0) (1/2,x+1/2,3/4;0,-mx,0) (1/2,-x+1/2,3/4;0,mx,0) (-x+1/2,1/2,3/4;mx,0,0) (-x,0,-1/4;-mx,0,0) (0,-x,-1/4;0,-mx,0) (0,x,3/4;0,mx,0) (x,0,3/4;mx,0,0) 16i (x,x,1/4;mx,mx,0) (-x,x,1/4;-mx,mx,0) (x,-x,1/4;mx,-mx,0) (-x,-x,1/4;-mx,-mx,0) (-x+1/2,-x+1/2,1/4;mx,mx,0) (x+1/2,-x+1/2,5/4;-mx,mx,0) (-x+1/2,x+1/2,5/4;mx,-mx,0) (x+1/2,x+1/2,1/4;-mx,-mx,0) (x+1/2,x+1/2,3/4;-mx,-mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (x+1/2,-x+1/2,3/4;-mx,mx,0) (-x+1/2,-x+1/2,3/4;mx,mx,0) (-x,-x,-1/4;-mx,-mx,0) (x,-x,3/4;mx,-mx,0) (-x,x,3/4;-mx,mx,0) (x,x,-1/4;mx,mx,0) 8h (x,x+1/2,0;mx,-mx,0) (-x-1/2,x,0;mx,mx,0) (x+1/2,-x,0;-mx,-mx,0) (x,-x-1/2,1/2;mx,mx,0) (-x,x+1/2,1/2;-mx,-mx,0) (-x,-x-1/2,0;-mx,mx,0) (x+1/2,x,1/2;-mx,mx,0) (-x-1/2,-x,1/2;mx,-mx,0) 8g (0,1/2,z;0,0,0) (-1/2,0,z;0,0,0) (0,-1/2,-z+1/2;0,0,0) (-1/2,0,-z+1/2;0,0,0) (1/2,1,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1;0,0,0) (0,1/2,-z+1;0,0,0) 8f (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (1/2,1/2,-z+1;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 8e (1/4,1/4,1/4;mx,mx,0) (-1/4,1/4,1/4;-mx,mx,0) (1/4,-1/4,1/4;mx,-mx,0) (-1/4,-1/4,1/4;-mx,-mx,0) (3/4,3/4,3/4;-mx,-mx,0) (1/4,3/4,3/4;mx,-mx,0) (3/4,1/4,3/4;-mx,mx,0) (1/4,1/4,3/4;mx,mx,0) 4d (0,1/2,0;0,0,0) (-1/2,0,0;0,0,0) (0,-1/2,1/2;0,0,0) (-1/2,0,1/2;0,0,0) 4c (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,1/2,1;0,0,0) 4b (0,1/2,1/4;0,0,0) (-1/2,0,1/4;0,0,0) (1/2,1,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4a (0,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,0,-1/4;0,0,0) Operators (BNS): (1|0,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,0) (2y|1/2,0,0) (2z|1/2,1/2,0) (2xy|0,0,0) (2-xy|1/2,1/2,0) (-1|0,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,0) (my|1/2,0,0) (mz|1/2,1/2,0) (mxy|0,0,0) (m-xy|1/2,1/2,0) (1|1/2,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|1/2,0,1/2)' (2y|0,1/2,1/2)' (2z|0,0,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|0,0,1/2)' (-1|1/2,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|1/2,0,1/2)' (my|0,1/2,1/2)' (mz|0,0,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|0,0,1/2)' Wyckoff positions (BNS): 32m (x,y,z;mx,my,mz) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y+1/2,-x+1/2,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y+1/2,x+1/2,z;-my,-mx,-mz) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x+1/2,-y,-z+1/2;-mx,my,mz) (-x,y+1/2,-z+1/2;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x+1/2,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y,x,z+1/2;my,mx,mz) 16l (x,x+1/2,z;mx,-mx,0) (-x,x,z;mx,mx,0) (x+1/2,-x+1/2,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x+1/2,x+1/2,-z;-mx,-mx,0) (-x+1/2,-x,z;-mx,mx,0) (x+1/2,x,-z;-mx,mx,0) (-x,-x+1/2,-z;mx,-mx,0) (x+1/2,x,z+1/2;-mx,mx,0) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x,-x,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x,x,-z+1/2;mx,mx,0) (-x,-x+1/2,z+1/2;mx,-mx,0) (x,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x,-z+1/2;-mx,mx,0) 16k (x,y,3/4;mx,my,0) (-y+1/2,x,3/4;-my,mx,0) (y,-x+1/2,3/4;my,-mx,0) (x,-y+1/2,1/4;mx,-my,0) (-x+1/2,y,1/4;-mx,my,0) (-x+1/2,-y+1/2,3/4;-mx,-my,0) (y,x,1/4;my,mx,0) (-y+1/2,-x+1/2,1/4;-my,-mx,0) (-x,-y,1/4;mx,my,0) (y+1/2,-x,1/4;-my,mx,0) (-y,x+1/2,1/4;my,-mx,0) (-x,y+1/2,3/4;mx,-my,0) (x+1/2,-y,3/4;-mx,my,0) (x+1/2,y+1/2,1/4;-mx,-my,0) (-y,-x,3/4;my,mx,0) (y+1/2,x+1/2,3/4;-my,-mx,0) 16j (x,3/4,0;mx,0,0) (3/4,x,0;0,mx,0) (3/4,-x+1/2,0;0,-mx,0) (-x+1/2,3/4,0;-mx,0,0) (-x,1/4,0;mx,0,0) (1/4,-x,0;0,mx,0) (1/4,x+1/2,0;0,-mx,0) (x+1/2,1/4,0;-mx,0,0) (x+1/2,1/4,1/2;-mx,0,0) (1/4,x+1/2,1/2;0,-mx,0) (1/4,-x,1/2;0,mx,0) (-x,1/4,1/2;mx,0,0) (-x+1/2,3/4,1/2;-mx,0,0) (3/4,-x+1/2,1/2;0,-mx,0) (3/4,x,1/2;0,mx,0) (x,3/4,1/2;mx,0,0) 16i (x,x,0;mx,mx,0) (-x+1/2,x,0;-mx,mx,0) (x,-x+1/2,0;mx,-mx,0) (-x+1/2,-x+1/2,0;-mx,-mx,0) (-x,-x,0;mx,mx,0) (x+1/2,-x,0;-mx,mx,0) (-x,x+1/2,0;mx,-mx,0) (x+1/2,x+1/2,0;-mx,-mx,0) (x+1/2,x+1/2,1/2;-mx,-mx,0) (-x,x+1/2,1/2;mx,-mx,0) (x+1/2,-x,1/2;-mx,mx,0) (-x,-x,1/2;mx,mx,0) (-x+1/2,-x+1/2,1/2;-mx,-mx,0) (x,-x+1/2,1/2;mx,-mx,0) (-x+1/2,x,1/2;-mx,mx,0) (x,x,1/2;mx,mx,0) 8h (x,x+1/2,3/4;mx,-mx,0) (-x,x,3/4;mx,mx,0) (x+1/2,-x+1/2,3/4;-mx,-mx,0) (x,-x,1/4;mx,mx,0) (-x+1/2,x+1/2,1/4;-mx,-mx,0) (-x+1/2,-x,3/4;-mx,mx,0) (x+1/2,x,1/4;-mx,mx,0) (-x,-x+1/2,1/4;mx,-mx,0) 8g (3/4,1/4,z;0,0,0) (1/4,3/4,z;0,0,0) (3/4,1/4,-z;0,0,0) (1/4,3/4,-z;0,0,0) (1/4,3/4,z+1/2;0,0,0) (3/4,1/4,z+1/2;0,0,0) (1/4,3/4,-z+1/2;0,0,0) (3/4,1/4,-z+1/2;0,0,0) 8f (3/4,3/4,z;0,0,mz) (3/4,3/4,-z;0,0,-mz) (1/4,1/4,-z;0,0,mz) (1/4,1/4,z;0,0,-mz) (1/4,1/4,z+1/2;0,0,-mz) (1/4,1/4,-z+1/2;0,0,mz) (3/4,3/4,-z+1/2;0,0,-mz) (3/4,3/4,z+1/2;0,0,mz) 8e (0,0,0;mx,mx,0) (1/2,0,0;-mx,mx,0) (0,1/2,0;mx,-mx,0) (1/2,1/2,0;-mx,-mx,0) (1/2,1/2,1/2;-mx,-mx,0) (0,1/2,1/2;mx,-mx,0) (1/2,0,1/2;-mx,mx,0) (0,0,1/2;mx,mx,0) 4d (3/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4b (3/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/4,1/2;0,0,0) 4a (3/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,1/4,1/2;0,0,0) (3/4,3/4,1/2;0,0,0) ---------- OG: 141.1.1213 I4_1/amd UNI: 141.551 I4_1/amd.1 BNS: 141.551 I4_1/amd Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+3/4;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+1/4,-x+3/4,z+1/4;my,mx,-mz) (y+3/4,x+3/4,z+1/4;-my,-mx,-mz) 16h (0,y,z;mx,0,0) (-y+1/4,3/4,z+1/4;0,mx,0) (y+3/4,3/4,z+1/4;0,-mx,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (y+3/4,1/4,-z+3/4;0,mx,0) (-y+1/4,1/4,-z+3/4;0,-mx,0) 16g (x,x+1/4,7/8;mx,mx,0) (-x,x+3/4,1/8;-mx,mx,0) (x,-x+3/4,1/8;mx,-mx,0) (-x,-x+1/4,7/8;-mx,-mx,0) (-x,-x+3/4,1/8;mx,mx,0) (x,-x+1/4,7/8;-mx,mx,0) (-x,x+1/4,7/8;mx,-mx,0) (x,x+3/4,1/8;-mx,-mx,0) 16f (x,0,0;mx,0,0) (1/4,x+3/4,1/4;0,mx,0) (1/4,-x+1/4,3/4;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (3/4,-x+1/4,3/4;0,mx,0) (3/4,x+3/4,1/4;0,-mx,0) (x,1/2,0;-mx,0,0) 8e (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) 8d (0,0,1/2;mx,0,0) (1/4,3/4,3/4;0,mx,0) (1/4,1/4,1/4;0,-mx,0) (0,1/2,1/2;-mx,0,0) 8c (0,0,0;mx,0,0) (1/4,3/4,1/4;0,mx,0) (1/4,1/4,3/4;0,-mx,0) (0,1/2,0;-mx,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 141.2.1214 I4_1/amd1' UNI: 141.552 I4_1/amd.1' BNS: 141.552 I4_1/amd1' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) (1|0,0,0)' (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;0,0,0) (-y+1/4,x+3/4,z+1/4;0,0,0) (y+3/4,-x+3/4,z+1/4;0,0,0) (x,-y,-z;0,0,0) (-x,y+1/2,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (y+3/4,x+1/4,-z+3/4;0,0,0) (-y+1/4,-x+1/4,-z+3/4;0,0,0) (-x,-y,-z;0,0,0) (y+3/4,-x+1/4,-z+3/4;0,0,0) (-y+1/4,x+1/4,-z+3/4;0,0,0) (-x,y,z;0,0,0) (x,-y+1/2,z;0,0,0) (x,y+1/2,-z;0,0,0) (-y+1/4,-x+3/4,z+1/4;0,0,0) (y+3/4,x+3/4,z+1/4;0,0,0) 16h (0,y,z;0,0,0) (-y+1/4,3/4,z+1/4;0,0,0) (y+3/4,3/4,z+1/4;0,0,0) (0,-y,-z;0,0,0) (0,y+1/2,-z;0,0,0) (0,-y+1/2,z;0,0,0) (y+3/4,1/4,-z+3/4;0,0,0) (-y+1/4,1/4,-z+3/4;0,0,0) 16g (x,x+1/4,7/8;0,0,0) (-x,x+3/4,1/8;0,0,0) (x,-x+3/4,1/8;0,0,0) (-x,-x+1/4,7/8;0,0,0) (-x,-x+3/4,1/8;0,0,0) (x,-x+1/4,7/8;0,0,0) (-x,x+1/4,7/8;0,0,0) (x,x+3/4,1/8;0,0,0) 16f (x,0,0;0,0,0) (1/4,x+3/4,1/4;0,0,0) (1/4,-x+1/4,3/4;0,0,0) (-x,1/2,0;0,0,0) (-x,0,0;0,0,0) (3/4,-x+1/4,3/4;0,0,0) (3/4,x+3/4,1/4;0,0,0) (x,1/2,0;0,0,0) 8e (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) 8d (0,0,1/2;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 141.3.1215 I4_1/a'md UNI: 141.553 I4_1/a'md BNS: 141.553 I4_1/a'md Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0)' (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+3/4;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) (-y+1/4,-x+3/4,z+1/4;my,mx,-mz) (y+3/4,x+3/4,z+1/4;-my,-mx,-mz) 16h (0,y,z;mx,0,0) (-y+1/4,3/4,z+1/4;0,mx,0) (y+3/4,3/4,z+1/4;0,-mx,0) (0,-y,-z;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;-mx,0,0) (y+3/4,1/4,-z+3/4;0,-mx,0) (-y+1/4,1/4,-z+3/4;0,mx,0) 16g (x,x+1/4,7/8;mx,-mx,mz) (-x,x+3/4,1/8;mx,mx,mz) (x,-x+3/4,1/8;-mx,-mx,mz) (-x,-x+1/4,7/8;-mx,mx,mz) (-x,-x+3/4,1/8;-mx,mx,-mz) (x,-x+1/4,7/8;-mx,-mx,-mz) (-x,x+1/4,7/8;mx,mx,-mz) (x,x+3/4,1/8;mx,-mx,-mz) 16f (x,0,0;0,my,mz) (1/4,x+3/4,1/4;-my,0,mz) (3/4,-x+3/4,1/4;my,0,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,-my,-mz) (1/4,-x+3/4,1/4;my,0,-mz) (3/4,x+3/4,1/4;-my,0,-mz) (x,1/2,0;0,my,-mz) 8e (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) 8d (0,0,1/2;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (1/2,3/4,3/8;0,0,0) ---------- OG: 141.4.1216 I4_1'/am'd UNI: 141.554 I4_1'/am'd BNS: 141.554 I4_1'/am'd Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (-1|0,0,0) (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0) (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) Wyckoff positions: (0,0,0)+ (1,1,0)+ (-1,1,0)+ (0,0,1)+ (0,1,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+3/4;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) (-y+1/4,-x+3/4,z+1/4;my,mx,-mz) (y+3/4,x+3/4,z+1/4;-my,-mx,-mz) 16h (0,y,z;0,my,mz) (-y+1/4,3/4,z+1/4;my,0,-mz) (y+3/4,3/4,z+1/4;-my,0,-mz) (0,-y,-z;0,my,mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,-my,mz) (y+3/4,1/4,-z+3/4;my,0,-mz) (-y+1/4,1/4,-z+3/4;-my,0,-mz) 16g (x,x+1/4,7/8;mx,mx,0) (-x,x+3/4,1/8;mx,-mx,0) (x,-x+3/4,1/8;-mx,mx,0) (-x,-x+1/4,7/8;-mx,-mx,0) (-x,-x+3/4,1/8;mx,mx,0) (x,-x+1/4,7/8;mx,-mx,0) (-x,x+1/4,7/8;-mx,mx,0) (x,x+3/4,1/8;-mx,-mx,0) 16f (x,0,0;0,my,mz) (3/4,x+1/4,3/4;my,0,-mz) (1/4,-x+1/4,3/4;-my,0,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (1/4,-x+3/4,1/4;my,0,-mz) (3/4,x+3/4,1/4;-my,0,-mz) (x,1/2,0;0,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,-mz) 8d (0,0,1/2;0,my,mz) (3/4,1/4,1/4;my,0,-mz) (1/4,1/4,1/4;-my,0,-mz) (0,1/2,1/2;0,-my,mz) 8c (0,0,0;0,my,mz) (3/4,1/4,3/4;my,0,-mz) (1/4,1/4,3/4;-my,0,-mz) (0,1/2,0;0,-my,mz) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 141.5.1217 I4_1'/amd' UNI: 141.555 I4_1'/amd' BNS: 141.555 I4_1'/amd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (-1|0,0,0) (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0) (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+3/4;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+1/4,-x+3/4,z+1/4;-my,-mx,mz) (y+3/4,x+3/4,z+1/4;my,mx,mz) 16h (0,y,z;mx,0,0) (-y+1/4,3/4,z+1/4;0,-mx,0) (y+3/4,3/4,z+1/4;0,mx,0) (0,-y,-z;mx,0,0) (0,y+1/2,-z;-mx,0,0) (0,-y+1/2,z;-mx,0,0) (y+3/4,1/4,-z+3/4;0,-mx,0) (-y+1/4,1/4,-z+3/4;0,mx,0) 16g (x,x+1/4,7/8;mx,-mx,mz) (-x,x+3/4,1/8;-mx,-mx,-mz) (x,-x+3/4,1/8;mx,mx,-mz) (-x,-x+1/4,7/8;-mx,mx,mz) (-x,-x+3/4,1/8;mx,-mx,mz) (x,-x+1/4,7/8;-mx,-mx,-mz) (-x,x+1/4,7/8;mx,mx,-mz) (x,x+3/4,1/8;-mx,mx,mz) 16f (x,0,0;mx,0,0) (1/4,x+3/4,1/4;0,-mx,0) (1/4,-x+1/4,3/4;0,mx,0) (-x,1/2,0;-mx,0,0) (-x,0,0;mx,0,0) (3/4,-x+1/4,3/4;0,-mx,0) (3/4,x+3/4,1/4;0,mx,0) (x,1/2,0;-mx,0,0) 8e (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) 8d (0,0,1/2;mx,0,0) (1/4,3/4,3/4;0,-mx,0) (1/4,1/4,1/4;0,mx,0) (0,1/2,1/2;-mx,0,0) 8c (0,0,0;mx,0,0) (1/4,3/4,1/4;0,-mx,0) (1/4,1/4,3/4;0,mx,0) (0,1/2,0;-mx,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 141.6.1218 I4_1'/a'm'd UNI: 141.556 I4_1'/a'm'd BNS: 141.556 I4_1'/a'm'd Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' (mxy|1/4,3/4,1/4) (m-xy|3/4,3/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+3/4;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+1/4,-x+3/4,z+1/4;my,mx,-mz) (y+3/4,x+3/4,z+1/4;-my,-mx,-mz) 16h (0,y,z;0,my,mz) (-y+1/4,3/4,z+1/4;my,0,-mz) (y+3/4,3/4,z+1/4;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (y+3/4,1/4,-z+3/4;-my,0,mz) (-y+1/4,1/4,-z+3/4;my,0,mz) 16g (x,x+1/4,7/8;mx,-mx,mz) (-x,x+3/4,1/8;-mx,-mx,-mz) (x,-x+3/4,1/8;mx,mx,-mz) (-x,-x+1/4,7/8;-mx,mx,mz) (-x,-x+3/4,1/8;-mx,mx,-mz) (x,-x+1/4,7/8;mx,mx,mz) (-x,x+1/4,7/8;-mx,-mx,mz) (x,x+3/4,1/8;mx,-mx,-mz) 16f (x,0,0;mx,0,0) (1/4,x+3/4,1/4;0,-mx,0) (1/4,-x+1/4,3/4;0,mx,0) (-x,1/2,0;-mx,0,0) (-x,0,0;-mx,0,0) (3/4,-x+1/4,3/4;0,mx,0) (3/4,x+3/4,1/4;0,-mx,0) (x,1/2,0;mx,0,0) 8e (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,mz) 8d (0,0,1/2;0,0,0) (3/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,-mz) 4a (0,3/4,1/8;0,0,mz) (0,1/4,7/8;0,0,-mz) ---------- OG: 141.7.1219 I4_1/am'd' UNI: 141.557 I4_1/am'd' BNS: 141.557 I4_1/am'd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (2xy|3/4,1/4,3/4)' (2-xy|1/4,1/4,3/4)' (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0) (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+3/4;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) (-y+1/4,-x+3/4,z+1/4;-my,-mx,mz) (y+3/4,x+3/4,z+1/4;my,mx,mz) 16h (0,y,z;0,my,mz) (-y+1/4,3/4,z+1/4;-my,0,mz) (y+3/4,3/4,z+1/4;my,0,mz) (0,-y,-z;0,my,mz) (0,y+1/2,-z;0,-my,mz) (0,-y+1/2,z;0,-my,mz) (y+3/4,1/4,-z+3/4;-my,0,mz) (-y+1/4,1/4,-z+3/4;my,0,mz) 16g (x,x+1/4,7/8;mx,-mx,mz) (-x,x+3/4,1/8;mx,mx,mz) (x,-x+3/4,1/8;-mx,-mx,mz) (-x,-x+1/4,7/8;-mx,mx,mz) (-x,-x+3/4,1/8;mx,-mx,mz) (x,-x+1/4,7/8;mx,mx,mz) (-x,x+1/4,7/8;-mx,-mx,mz) (x,x+3/4,1/8;-mx,mx,mz) 16f (x,0,0;0,my,mz) (1/4,x+3/4,1/4;-my,0,mz) (3/4,-x+3/4,1/4;my,0,mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,my,mz) (3/4,-x+1/4,3/4;-my,0,mz) (1/4,x+1/4,3/4;my,0,mz) (x,1/2,0;0,-my,mz) 8e (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,mz) 8d (0,0,1/2;0,my,mz) (1/4,3/4,3/4;-my,0,mz) (3/4,3/4,3/4;my,0,mz) (0,1/2,1/2;0,-my,mz) 8c (0,0,0;0,my,mz) (1/4,3/4,1/4;-my,0,mz) (3/4,3/4,1/4;my,0,mz) (0,1/2,0;0,-my,mz) 4b (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,mz) 4a (0,3/4,1/8;0,0,mz) (1/2,3/4,3/8;0,0,mz) ---------- OG: 141.8.1220 I4_1'/a'md' UNI: 141.558 I4_1'/a'md' BNS: 141.558 I4_1'/a'md' Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,0)' (2y|0,1/2,0)' (2z|0,1/2,0) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (-1|0,0,0)' (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,0) (my|0,1/2,0) (mz|0,1/2,0)' (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+3/4;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y+1/2,z;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) (-y+1/4,-x+3/4,z+1/4;-my,-mx,mz) (y+3/4,x+3/4,z+1/4;my,mx,mz) 16h (0,y,z;mx,0,0) (-y+1/4,3/4,z+1/4;0,-mx,0) (y+3/4,3/4,z+1/4;0,mx,0) (0,-y,-z;-mx,0,0) (0,y+1/2,-z;mx,0,0) (0,-y+1/2,z;-mx,0,0) (y+3/4,1/4,-z+3/4;0,mx,0) (-y+1/4,1/4,-z+3/4;0,-mx,0) 16g (x,x+1/4,7/8;mx,mx,0) (-x,x+3/4,1/8;mx,-mx,0) (x,-x+3/4,1/8;-mx,mx,0) (-x,-x+1/4,7/8;-mx,-mx,0) (-x,-x+3/4,1/8;-mx,-mx,0) (x,-x+1/4,7/8;-mx,mx,0) (-x,x+1/4,7/8;mx,-mx,0) (x,x+3/4,1/8;mx,mx,0) 16f (x,0,0;0,my,mz) (3/4,x+1/4,3/4;my,0,-mz) (1/4,-x+1/4,3/4;-my,0,-mz) (-x,1/2,0;0,-my,mz) (-x,0,0;0,-my,-mz) (3/4,-x+1/4,3/4;-my,0,mz) (1/4,x+1/4,3/4;my,0,mz) (x,1/2,0;0,my,-mz) 8e (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) 8d (0,0,1/2;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 141.9.1221 I4_1/a'm'd' UNI: 141.559 I4_1/a'm'd' BNS: 141.559 I4_1/a'm'd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|0,0,0) (2y|0,1/2,0) (2z|0,1/2,0) (2xy|3/4,1/4,3/4) (2-xy|1/4,1/4,3/4) (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,0)' (my|0,1/2,0)' (mz|0,1/2,0)' (mxy|1/4,3/4,1/4)' (m-xy|3/4,3/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32i (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y+1/2,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+3/4;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+1/4,-x+3/4,z+1/4;-my,-mx,mz) (y+3/4,x+3/4,z+1/4;my,mx,mz) 16h (0,y,z;0,my,mz) (-y+1/4,3/4,z+1/4;-my,0,mz) (y+3/4,3/4,z+1/4;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y+1/2,-z;0,my,-mz) (0,-y+1/2,z;0,-my,mz) (y+3/4,1/4,-z+3/4;my,0,-mz) (-y+1/4,1/4,-z+3/4;-my,0,-mz) 16g (x,x+1/4,7/8;mx,mx,0) (-x,x+3/4,1/8;-mx,mx,0) (x,-x+3/4,1/8;mx,-mx,0) (-x,-x+1/4,7/8;-mx,-mx,0) (-x,-x+3/4,1/8;-mx,-mx,0) (x,-x+1/4,7/8;mx,-mx,0) (-x,x+1/4,7/8;-mx,mx,0) (x,x+3/4,1/8;mx,mx,0) 16f (x,0,0;mx,0,0) (1/4,x+3/4,1/4;0,mx,0) (1/4,-x+1/4,3/4;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,0;-mx,0,0) (3/4,-x+1/4,3/4;0,-mx,0) (3/4,x+3/4,1/4;0,mx,0) (x,1/2,0;mx,0,0) 8e (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,-mz) 8d (0,0,1/2;0,0,0) (1/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (0,1/2,1/2;0,0,0) 8c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,1/2,0;0,0,0) 4b (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) 4a (0,3/4,1/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 142.1.1222 I4_1/acd UNI: 142.561 I4_1/acd.1 BNS: 142.561 I4_1/acd Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2) (my|0,1/2,1/2) (mz|0,1/2,0) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) 16f (x,x+1/4,1/8;mx,mx,0) (-x+1/2,x+1/4,7/8;-mx,mx,0) (x+1/2,-x+1/4,7/8;mx,-mx,0) (-x,-x+1/4,1/8;-mx,-mx,0) (-x,-x+3/4,7/8;mx,mx,0) (x,-x+1/4,5/8;-mx,mx,0) (-x,x+1/4,5/8;mx,-mx,0) (x,x+3/4,7/8;-mx,-mx,0) 16e (x,0,1/4;mx,0,0) (1/4,x+3/4,1/2;0,mx,0) (1/4,-x+1/4,0;0,-mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (3/4,-x+1/4,1/2;0,mx,0) (1/4,x+1/4,1/2;0,-mx,0) (x,1/2,3/4;-mx,0,0) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (1/2,1/4,-z;0,0,-mz) (0,1/4,-z+1/4;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,mz) (0,1/4,z+1/2;0,0,-mz) (1/2,1/4,z+1/4;0,0,-mz) 16c (0,0,0;mx,my,mz) (1/4,3/4,1/4;-my,mx,mz) (3/4,3/4,1/4;my,-mx,mz) (1/2,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) (3/4,1/4,1/4;my,mx,-mz) (1/4,1/4,1/4;-my,-mx,-mz) 8b (0,1/4,1/8;0,0,0) (1/2,1/4,7/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) 8a (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,mz) (1/2,1/4,5/8;0,0,-mz) (0,1/4,7/8;0,0,-mz) ---------- OG: 142.2.1223 I4_1/acd1' UNI: 142.562 I4_1/acd.1' BNS: 142.562 I4_1/acd1' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2) (my|0,1/2,1/2) (mz|0,1/2,0) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (1|0,0,0)' (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;0,0,0) (-y+1/4,x+3/4,z+1/4;0,0,0) (y+3/4,-x+3/4,z+1/4;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (y+3/4,x+1/4,-z+1/4;0,0,0) (-y+1/4,-x+1/4,-z+1/4;0,0,0) (-x,-y,-z;0,0,0) (y+3/4,-x+1/4,-z+3/4;0,0,0) (-y+1/4,x+1/4,-z+3/4;0,0,0) (-x,y,z+1/2;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x,y+1/2,-z;0,0,0) (-y+3/4,-x+1/4,z+1/4;0,0,0) (y+1/4,x+1/4,z+1/4;0,0,0) 16f (x,x+1/4,1/8;0,0,0) (-x+1/2,x+1/4,7/8;0,0,0) (x+1/2,-x+1/4,7/8;0,0,0) (-x,-x+1/4,1/8;0,0,0) (-x,-x+3/4,7/8;0,0,0) (x,-x+1/4,5/8;0,0,0) (-x,x+1/4,5/8;0,0,0) (x,x+3/4,7/8;0,0,0) 16e (x,0,1/4;0,0,0) (1/4,x+3/4,1/2;0,0,0) (1/4,-x+1/4,0;0,0,0) (-x+1/2,0,3/4;0,0,0) (-x,0,3/4;0,0,0) (3/4,-x+1/4,1/2;0,0,0) (1/4,x+1/4,1/2;0,0,0) (x,1/2,3/4;0,0,0) 16d (0,1/4,z;0,0,0) (0,3/4,z+1/4;0,0,0) (1/2,1/4,-z;0,0,0) (0,1/4,-z+1/4;0,0,0) (0,3/4,-z;0,0,0) (0,1/4,-z+3/4;0,0,0) (0,1/4,z+1/2;0,0,0) (1/2,1/4,z+1/4;0,0,0) 16c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 8b (0,1/4,1/8;0,0,0) (1/2,1/4,7/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) 8a (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) (1/2,1/4,5/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 142.3.1224 I4_1/a'cd UNI: 142.563 I4_1/a'cd BNS: 142.563 I4_1/a'cd Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2) (my|0,1/2,1/2) (mz|0,1/2,0)' (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) 16f (x,x+1/4,1/8;mx,-mx,mz) (-x,x+3/4,3/8;mx,mx,mz) (x,-x+3/4,3/8;-mx,-mx,mz) (-x,-x+1/4,1/8;-mx,mx,mz) (-x+1/2,-x+1/4,3/8;-mx,mx,-mz) (x,-x+1/4,5/8;-mx,-mx,-mz) (-x,x+1/4,5/8;mx,mx,-mz) (x+1/2,x+1/4,3/8;mx,-mx,-mz) 16e (x,0,1/4;0,my,mz) (1/4,x+3/4,1/2;-my,0,mz) (3/4,-x+3/4,1/2;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (3/4,-x+1/4,1/2;my,0,-mz) (1/4,x+1/4,1/2;-my,0,-mz) (x,1/2,3/4;0,my,-mz) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (1/2,1/4,-z;0,0,mz) (0,1/4,-z+1/4;0,0,mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (1/2,1/4,z+1/4;0,0,-mz) 16c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 8b (0,1/4,1/8;0,0,mz) (0,3/4,3/8;0,0,mz) (1/2,1/4,3/8;0,0,-mz) (0,1/4,5/8;0,0,-mz) 8a (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) (1/2,1/4,5/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 142.4.1225 I4_1'/ac'd UNI: 142.564 I4_1'/ac'd BNS: 142.564 I4_1'/ac'd Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (-1|0,0,0) (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,1/2,0) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (1,-1,0)+ (1,1,0)+ (0,0,1)+ (1,0,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) 16f (x,x+1/4,1/8;mx,mx,0) (-x+1/2,x+1/4,7/8;mx,-mx,0) (x+1/2,-x+1/4,7/8;-mx,mx,0) (-x,-x+1/4,1/8;-mx,-mx,0) (-x,-x+3/4,7/8;mx,mx,0) (x,-x+1/4,5/8;mx,-mx,0) (-x,x+1/4,5/8;-mx,mx,0) (x,x+3/4,7/8;-mx,-mx,0) 16e (x,0,1/4;0,my,mz) (3/4,x+1/4,0;my,0,-mz) (1/4,-x+1/4,0;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (3/4,-x+1/4,1/2;my,0,-mz) (1/4,x+1/4,1/2;-my,0,-mz) (x,1/2,3/4;0,-my,mz) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,mz) (0,1/4,-z+1/4;0,0,-mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,-mz) (0,1/4,z+1/2;0,0,mz) (1/2,1/4,z+1/4;0,0,-mz) 16c (0,0,0;mx,my,mz) (1/4,3/4,1/4;my,-mx,-mz) (3/4,3/4,1/4;-my,mx,-mz) (1/2,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,0;-mx,-my,mz) (3/4,1/4,1/4;my,mx,-mz) (1/4,1/4,1/4;-my,-mx,-mz) 8b (0,1/4,1/8;0,0,0) (1/2,1/4,7/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) 8a (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) (1/2,1/4,5/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 142.5.1226 I4_1'/acd' UNI: 142.565 I4_1'/acd' BNS: 142.565 I4_1'/acd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (-1|0,0,0) (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2) (my|0,1/2,1/2) (mz|0,1/2,0) (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (-1,0,0)+ (0,0,1)+ (0,1,0)+ (-1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) 16f (x,x+1/4,1/8;mx,-mx,mz) (-x+1/2,x+1/4,7/8;-mx,-mx,-mz) (x+1/2,-x+1/4,7/8;mx,mx,-mz) (-x,-x+1/4,1/8;-mx,mx,mz) (-x,-x+3/4,7/8;mx,-mx,mz) (x,-x+1/4,5/8;-mx,-mx,-mz) (-x,x+1/4,5/8;mx,mx,-mz) (x,x+3/4,7/8;-mx,mx,mz) 16e (x,0,1/4;mx,0,0) (1/4,x+3/4,1/2;0,-mx,0) (1/4,-x+1/4,0;0,mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;mx,0,0) (3/4,-x+1/4,1/2;0,-mx,0) (1/4,x+1/4,1/2;0,mx,0) (x,1/2,3/4;-mx,0,0) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (0,1/4,-z+1/4;0,0,mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,-mz) (0,1/4,z+1/2;0,0,-mz) (1/2,1/4,z+1/4;0,0,mz) 16c (0,0,0;mx,my,mz) (1/4,3/4,1/4;my,-mx,-mz) (3/4,3/4,1/4;-my,mx,-mz) (1/2,1/2,0;mx,-my,-mz) (1/2,0,0;-mx,my,-mz) (0,1/2,0;-mx,-my,mz) (3/4,1/4,1/4;-my,-mx,mz) (1/4,1/4,1/4;my,mx,mz) 8b (0,1/4,1/8;0,0,mz) (1/2,1/4,7/8;0,0,-mz) (0,3/4,7/8;0,0,mz) (0,1/4,5/8;0,0,-mz) 8a (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) (1/2,1/4,5/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 142.6.1227 I4_1'/a'c'd UNI: 142.566 I4_1'/a'c'd BNS: 142.566 I4_1'/a'c'd Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (-1|0,0,0)' (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (0,1,0)+ (-1,0,0)+ (0,0,1)+ (-1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) 16f (x,x+1/4,1/8;mx,-mx,mz) (-x+1/2,x+1/4,7/8;-mx,-mx,-mz) (x+1/2,-x+1/4,7/8;mx,mx,-mz) (-x,-x+1/4,1/8;-mx,mx,mz) (-x+1/2,-x+1/4,3/8;-mx,mx,-mz) (x,-x+1/4,5/8;mx,mx,mz) (-x,x+1/4,5/8;-mx,-mx,mz) (x+1/2,x+1/4,3/8;mx,-mx,-mz) 16e (x,0,1/4;mx,0,0) (1/4,x+3/4,1/2;0,-mx,0) (1/4,-x+1/4,0;0,mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (3/4,-x+1/4,1/2;0,mx,0) (1/4,x+1/4,1/2;0,-mx,0) (x,1/2,3/4;mx,0,0) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,-mz) (0,1/4,-z+1/4;0,0,mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,mz) (0,1/4,z+1/2;0,0,mz) (1/2,1/4,z+1/4;0,0,-mz) 16c (0,0,0;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 8b (0,1/4,1/8;0,0,mz) (1/2,1/4,7/8;0,0,-mz) (1/2,1/4,3/8;0,0,-mz) (0,1/4,5/8;0,0,mz) 8a (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,-mz) (1/2,1/4,5/8;0,0,-mz) (0,1/4,7/8;0,0,mz) ---------- OG: 142.7.1228 I4_1/ac'd' UNI: 142.567 I4_1/ac'd' BNS: 142.567 I4_1/ac'd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (-1|0,0,0) (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,1/2,0) (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x,-y,-z;mx,my,mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) 16f (x,x+1/4,1/8;mx,-mx,mz) (-x,x+3/4,3/8;mx,mx,mz) (x,-x+3/4,3/8;-mx,-mx,mz) (-x,-x+1/4,1/8;-mx,mx,mz) (-x,-x+3/4,7/8;mx,-mx,mz) (x,-x+1/4,5/8;mx,mx,mz) (-x,x+1/4,5/8;-mx,-mx,mz) (x,x+3/4,7/8;-mx,mx,mz) 16e (x,0,1/4;0,my,mz) (1/4,x+3/4,1/2;-my,0,mz) (3/4,-x+3/4,1/2;my,0,mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,my,mz) (3/4,-x+1/4,1/2;-my,0,mz) (1/4,x+1/4,1/2;my,0,mz) (x,1/2,3/4;0,-my,mz) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (1/2,1/4,-z;0,0,mz) (0,1/4,-z+1/4;0,0,mz) (0,3/4,-z;0,0,mz) (0,1/4,-z+3/4;0,0,mz) (0,1/4,z+1/2;0,0,mz) (1/2,1/4,z+1/4;0,0,mz) 16c (0,0,0;mx,my,mz) (1/4,3/4,1/4;-my,mx,mz) (3/4,3/4,1/4;my,-mx,mz) (1/2,1/2,0;-mx,my,mz) (1/2,0,0;mx,-my,mz) (0,1/2,0;-mx,-my,mz) (3/4,1/4,1/4;-my,-mx,mz) (1/4,1/4,1/4;my,mx,mz) 8b (0,1/4,1/8;0,0,mz) (0,3/4,3/8;0,0,mz) (0,3/4,7/8;0,0,mz) (0,1/4,5/8;0,0,mz) 8a (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,mz) (1/2,1/4,5/8;0,0,mz) (0,1/4,7/8;0,0,mz) ---------- OG: 142.8.1229 I4_1'/a'cd' UNI: 142.568 I4_1'/a'cd' BNS: 142.568 I4_1'/a'cd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0)' (2y|1/2,0,0)' (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (-1|0,0,0)' (-4z|3/4,1/4,3/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2) (my|0,1/2,1/2) (mz|0,1/2,0)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) 16f (x,x+1/4,1/8;mx,mx,0) (-x+1/2,x+1/4,7/8;mx,-mx,0) (x+1/2,-x+1/4,7/8;-mx,mx,0) (-x,-x+1/4,1/8;-mx,-mx,0) (-x,-x+3/4,7/8;-mx,-mx,0) (x,-x+1/4,5/8;-mx,mx,0) (-x,x+1/4,5/8;mx,-mx,0) (x,x+3/4,7/8;mx,mx,0) 16e (x,0,1/4;0,my,mz) (3/4,x+1/4,0;my,0,-mz) (1/4,-x+1/4,0;-my,0,-mz) (-x,1/2,1/4;0,-my,mz) (-x,0,3/4;0,-my,-mz) (3/4,-x+1/4,1/2;-my,0,mz) (1/4,x+1/4,1/2;my,0,mz) (x,1/2,3/4;0,my,-mz) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,-mz) (1/2,1/4,-z;0,0,mz) (0,1/4,-z+1/4;0,0,-mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,mz) (0,1/4,z+1/2;0,0,-mz) (1/2,1/4,z+1/4;0,0,mz) 16c (0,0,0;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,3/4;0,0,0) (0,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 8b (0,1/4,1/8;0,0,0) (1/2,1/4,7/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) 8a (0,1/4,3/8;0,0,mz) (0,3/4,5/8;0,0,-mz) (1/2,1/4,5/8;0,0,mz) (0,1/4,7/8;0,0,-mz) ---------- OG: 142.9.1230 I4_1/a'c'd' UNI: 142.569 I4_1/a'c'd' BNS: 142.569 I4_1/a'c'd' Operators: (1|0,0,0) (4z|1/4,3/4,1/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (-1|0,0,0)' (-4z|3/4,1/4,3/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2)' (my|0,1/2,1/2)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 32g (x,y,z;mx,my,mz) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y+3/4,-x+1/4,-z+3/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) 16f (x,x+1/4,1/8;mx,mx,0) (-x+1/2,x+1/4,7/8;-mx,mx,0) (x+1/2,-x+1/4,7/8;mx,-mx,0) (-x,-x+1/4,1/8;-mx,-mx,0) (-x,-x+3/4,7/8;-mx,-mx,0) (x,-x+1/4,5/8;mx,-mx,0) (-x,x+1/4,5/8;-mx,mx,0) (x,x+3/4,7/8;mx,mx,0) 16e (x,0,1/4;mx,0,0) (1/4,x+3/4,1/2;0,mx,0) (1/4,-x+1/4,0;0,-mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x,0,3/4;-mx,0,0) (3/4,-x+1/4,1/2;0,-mx,0) (1/4,x+1/4,1/2;0,mx,0) (x,1/2,3/4;mx,0,0) 16d (0,1/4,z;0,0,mz) (0,3/4,z+1/4;0,0,mz) (1/2,1/4,-z;0,0,-mz) (0,1/4,-z+1/4;0,0,-mz) (0,3/4,-z;0,0,-mz) (0,1/4,-z+3/4;0,0,-mz) (0,1/4,z+1/2;0,0,mz) (1/2,1/4,z+1/4;0,0,mz) 16c (0,0,0;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,1/4;0,0,0) 8b (0,1/4,1/8;0,0,0) (1/2,1/4,7/8;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) 8a (0,1/4,3/8;0,0,0) (0,3/4,5/8;0,0,0) (1/2,1/4,5/8;0,0,0) (0,1/4,7/8;0,0,0) ---------- OG: 143.1.1231 P3 UNI: 143.1 P3.1 BNS: 143.1 P3 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) 1c (2/3,1/3,z;0,0,mz) 1b (1/3,2/3,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 143.2.1232 P31' UNI: 143.2 P3.1' BNS: 143.2 P31' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3d (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) 1c (2/3,1/3,z;0,0,0) 1b (1/3,2/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 143.3.1233 P_2c3 UNI: 143.3 P3.1'_c[P3] BNS: 143.3 P_c3 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) 2c (2/3,1/3,z;0,0,mz) (2/3,1/3,z+1;0,0,-mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' Wyckoff positions (BNS): 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) 2c (2/3,1/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 144.1.1234 P3_1 UNI: 144.4 P3_1.1 BNS: 144.4 P3_1 Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3a (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) ---------- OG: 144.2.1235 P3_11' UNI: 144.5 P3_1.1' BNS: 144.5 P3_11' Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (1|0,0,0)' (3z|0,0,1/3)' (3z-1|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3a (x,y,z;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x+y,-x,z+2/3;0,0,0) ---------- OG: 144.3.1236 P_2c3_2 UNI: 145.9 P3_2.1'_c[P3_1] BNS: 145.9 P_c3_2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,4/3) (3z-1|0,0,2/3) (1|0,0,1)' (3z|0,0,1/3)' (3z-1|0,0,5/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 6a (x,y,z;mx,my,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (1|0,0,1/2)' (3z|0,0,1/6)' (3z-1|0,0,5/6)' Wyckoff positions (BNS): 6a (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) ---------- OG: 145.1.1237 P3_2 UNI: 145.7 P3_2.1 BNS: 145.7 P3_2 Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3a (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) ---------- OG: 145.2.1238 P3_21' UNI: 145.8 P3_2.1' BNS: 145.8 P3_21' Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (1|0,0,0)' (3z|0,0,2/3)' (3z-1|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 3a (x,y,z;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x+y,-x,z+1/3;0,0,0) ---------- OG: 145.3.1239 P_2c3_1 UNI: 144.6 P3_1.1'_c[P3_2] BNS: 144.6 P_c3_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,4/3) (1|0,0,1)' (3z|0,0,5/3)' (3z-1|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 6a (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (1|0,0,1/2)' (3z|0,0,5/6)' (3z-1|0,0,1/6)' Wyckoff positions (BNS): 6a (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) ---------- OG: 146.1.1240 R3 UNI: 146.10 R3.1 BNS: 146.10 R3 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 9b (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) 3a (0,0,z;0,0,mz) ---------- OG: 146.2.1241 R31' UNI: 146.11 R3.1' BNS: 146.11 R31' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 9b (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) 3a (0,0,z;0,0,0) ---------- OG: 146.3.1242 R_R3 UNI: 146.12 R3.1'_c[R3] BNS: 146.12 R_I3 OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 18b (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18b (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 147.1.1243 P-3 UNI: 147.13 P-3.1 BNS: 147.13 P-3 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) 3f (1/2,0,1/2;mx,my,mz) (0,1/2,1/2;-my,mx-my,mz) (1/2,1/2,1/2;-mx+my,-mx,mz) 3e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 147.2.1244 P-31' UNI: 147.14 P-3.1' BNS: 147.14 P-31' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) 3f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2c (0,0,z;0,0,0) (0,0,-z;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 147.3.1245 P-3' UNI: 147.15 P-3' BNS: 147.15 P-3' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) 3f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 147.4.1246 P_2c-3 UNI: 147.16 P-3.1'_c[P-3] BNS: 147.16 P_c-3 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) 6f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 6e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (-1/2,-1/2,0;-mx+my,-mx,mz) (1/2,0,1;-mx,-my,-mz) (0,1/2,1;my,-mx+my,-mz) (-1/2,-1/2,1;mx-my,mx,-mz) 4d (1/3,2/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' Wyckoff positions (BNS): 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) 6f (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 6e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;-mx,-my,-mz) (0,1/2,1/2;my,-mx+my,-mz) (1/2,1/2,1/2;mx-my,mx,-mz) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 148.1.1247 R-3 UNI: 148.17 R-3.1 BNS: 148.17 R-3 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) 9e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) 9d (1/2,0,1/2;mx,my,mz) (0,1/2,1/2;-my,mx-my,mz) (1/2,1/2,1/2;-mx+my,-mx,mz) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 3b (0,0,1/2;0,0,mz) 3a (0,0,0;0,0,mz) ---------- OG: 148.2.1248 R-31' UNI: 148.18 R-3.1' BNS: 148.18 R-31' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) 9e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 9d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6c (0,0,z;0,0,0) (0,0,-z;0,0,0) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 148.3.1249 R-3' UNI: 148.19 R-3' BNS: 148.19 R-3' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) 9e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 9d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 148.4.1250 R_R-3 UNI: 148.20 R-3.1'_c[R-3] BNS: 148.20 R_I-3 OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) 18e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (-1/2,-1/2,0;-mx+my,-mx,mz) (1/2,0,1;-mx,-my,-mz) (0,1/2,1;my,-mx+my,-mz) (-1/2,-1/2,1;mx-my,mx,-mz) 18d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 6b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 6a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) 18e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;-mx,-my,-mz) (0,1/2,1/2;my,-mx+my,-mz) (1/2,1/2,1/2;mx-my,mx,-mz) 18d (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 6b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 6a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 149.1.1251 P312 UNI: 149.21 P312.1 BNS: 149.21 P312 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) 3k (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) 3j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 149.2.1252 P3121' UNI: 149.22 P312.1' BNS: 149.22 P3121' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) 3k (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) 3j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) 2i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 149.3.1253 P312' UNI: 149.23 P312' BNS: 149.23 P312' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) 3k (x,-x,1/2;mx,mx,mz) (x,2x,1/2;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) 3j (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1f (2/3,1/3,1/2;0,0,mz) 1e (2/3,1/3,0;0,0,mz) 1d (1/3,2/3,1/2;0,0,mz) 1c (1/3,2/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 149.4.1254 P_2c312 UNI: 149.24 P312.1'_c[P312] BNS: 149.24 P_c312 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) 6k (x,-x,1/2;mx,mx,mz) (x,2x,1/2;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) (x,2x,-1/2;mx,0,-mz) (-2x,-x,-1/2;0,mx,-mz) (x,-x,-1/2;-mx,-mx,-mz) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (x,-x,1;-mx,mx,0) (x,2x,1;-mx,-2mx,0) (-2x,-x,1;2mx,mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z+1;0,0,-mz) (2/3,1/3,-z+1;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (1/3,-1/3,-z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (1/3,-1/3,-z+1;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 2f (2/3,1/3,1/2;0,0,mz) (2/3,1/3,-1/2;0,0,-mz) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (1/3,-1/3,-1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1;0,0,0) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' Wyckoff positions (BNS): 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) 6k (x,-x,1/4;mx,mx,mz) (x,2x,1/4;-mx,0,mz) (-2x,-x,1/4;0,-mx,mz) (x,2x,3/4;mx,0,-mz) (-2x,-x,3/4;0,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (x,-x,1/2;-mx,mx,0) (x,2x,1/2;-mx,-2mx,0) (-2x,-x,1/2;2mx,mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2f (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 150.1.1255 P321 UNI: 150.25 P321.1 BNS: 150.25 P321 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) 3f (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) 3e (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 150.2.1256 P3211' UNI: 150.26 P321.1' BNS: 150.26 P3211' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) 3f (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 3e (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) 2d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2c (0,0,z;0,0,0) (0,0,-z;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 150.3.1257 P32'1 UNI: 150.27 P32'1 BNS: 150.27 P32'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) 3f (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) 3e (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 150.4.1258 P_2c321 UNI: 150.28 P321.1'_c[P321] BNS: 150.28 P_c321 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) 6f (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) 6e (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (-x,-x,1;mx,mx,0) 4d (1/3,2/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) 4c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' Wyckoff positions (BNS): 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) 6f (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) 6e (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) (-x,-x,1/2;mx,mx,0) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) 4c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 151.1.1259 P3_112 UNI: 151.29 P3_112.1 BNS: 151.29 P3_112 Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (21|0,0,0) (22|0,0,1/3) (23|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+1/3;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) 3b (x,-x,5/6;mx,-mx,0) (x,2x,1/6;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) 3a (x,-x,1/3;mx,-mx,0) (x,2x,2/3;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) ---------- OG: 151.2.1260 P3_1121' UNI: 151.30 P3_112.1' BNS: 151.30 P3_1121' Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (21|0,0,0) (22|0,0,1/3) (23|0,0,2/3) (1|0,0,0)' (3z|0,0,1/3)' (3z-1|0,0,2/3)' (21|0,0,0)' (22|0,0,1/3)' (23|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x+y,-x,z+2/3;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z+1/3;0,0,0) (-y,-x,-z+2/3;0,0,0) 3b (x,-x,5/6;0,0,0) (x,2x,1/6;0,0,0) (-2x,-x,1/2;0,0,0) 3a (x,-x,1/3;0,0,0) (x,2x,2/3;0,0,0) (-2x,-x,0;0,0,0) ---------- OG: 151.3.1261 P3_112' UNI: 151.31 P3_112' BNS: 151.31 P3_112' Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (21|0,0,0)' (22|0,0,1/3)' (23|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z+1/3;mx-my,-my,mz) (-y,-x,-z+2/3;my,mx,mz) 3b (x,-x,5/6;mx,mx,mz) (x,2x,1/6;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) 3a (x,-x,1/3;mx,mx,mz) (x,2x,2/3;-mx,0,mz) (-2x,-x,0;0,-mx,mz) ---------- OG: 151.4.1262 P_2c3_212 UNI: 153.40 P3_212.1'_c[P3_112] BNS: 153.40 P_c3_212 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,4/3) (3z-1|0,0,2/3) (21|0,0,0) (22|0,0,4/3) (23|0,0,2/3) (1|0,0,1)' (3z|0,0,1/3)' (3z-1|0,0,5/3)' (21|0,0,1)' (22|0,0,1/3)' (23|0,0,5/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+4/3;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1/3;mx-my,-my,mz) (-y,-x,-z+5/3;my,mx,mz) 6b (x,-x,5/6;mx,mx,mz) (x,2x,13/6;-mx,0,mz) (-2x,-x,3/2;0,-mx,mz) (x,2x,-5/6;mx,0,-mz) (-2x,-x,1/2;0,mx,-mz) (x,-x,-1/6;-mx,-mx,-mz) 6a (x,-x,1/3;mx,-mx,0) (x,2x,5/3;mx,2mx,0) (-2x,-x,1;-2mx,-mx,0) (x,-x,4/3;-mx,mx,0) (x,2x,2/3;-mx,-2mx,0) (-2x,-x,2;2mx,mx,0) Operators (BNS): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (21|0,0,0) (22|0,0,2/3) (23|0,0,1/3) (1|0,0,1/2)' (3z|0,0,1/6)' (3z-1|0,0,5/6)' (21|0,0,1/2)' (22|0,0,1/6)' (23|0,0,5/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+2/3;-mx+my,my,-mz) (-y,-x,-z+1/3;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/6;mx-my,-my,mz) (-y,-x,-z+5/6;my,mx,mz) 6b (x,-x,5/12;mx,mx,mz) (x,2x,1/12;-mx,0,mz) (-2x,-x,3/4;0,-mx,mz) (x,2x,7/12;mx,0,-mz) (-2x,-x,1/4;0,mx,-mz) (x,-x,11/12;-mx,-mx,-mz) 6a (x,-x,1/6;mx,-mx,0) (x,2x,5/6;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) (x,-x,2/3;-mx,mx,0) (x,2x,1/3;-mx,-2mx,0) (-2x,-x,0;2mx,mx,0) ---------- OG: 152.1.1263 P3_121 UNI: 152.33 P3_121.1 BNS: 152.33 P3_121 Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (2x|0,0,2/3) (2xy|0,0,0) (2y|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x-y,-y,-z+2/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) 3b (x,0,5/6;mx,0,0) (0,x,1/6;0,mx,0) (-x,-x,1/2;-mx,-mx,0) 3a (x,0,1/3;mx,0,0) (0,x,2/3;0,mx,0) (-x,-x,0;-mx,-mx,0) ---------- OG: 152.2.1264 P3_1211' UNI: 152.34 P3_121.1' BNS: 152.34 P3_1211' Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (2x|0,0,2/3) (2xy|0,0,0) (2y|0,0,1/3) (1|0,0,0)' (3z|0,0,1/3)' (3z-1|0,0,2/3)' (2x|0,0,2/3)' (2xy|0,0,0)' (2y|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x+y,-x,z+2/3;0,0,0) (x-y,-y,-z+2/3;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z+1/3;0,0,0) 3b (x,0,5/6;0,0,0) (0,x,1/6;0,0,0) (-x,-x,1/2;0,0,0) 3a (x,0,1/3;0,0,0) (0,x,2/3;0,0,0) (-x,-x,0;0,0,0) ---------- OG: 152.3.1265 P3_12'1 UNI: 152.35 P3_12'1 BNS: 152.35 P3_12'1 Operators: (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (2x|0,0,2/3)' (2xy|0,0,0)' (2y|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x-y,-y,-z+2/3;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) 3b (x,0,5/6;mx,2mx,mz) (0,x,1/6;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) 3a (x,0,1/3;mx,2mx,mz) (0,x,2/3;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) ---------- OG: 152.4.1266 P_2c3_221 UNI: 154.44 P3_221.1'_c[P3_121] BNS: 154.44 P_c3_221 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,4/3) (3z-1|0,0,2/3) (2x|0,0,2/3) (2xy|0,0,0) (2y|0,0,4/3) (1|0,0,1)' (3z|0,0,1/3)' (3z-1|0,0,5/3)' (2x|0,0,5/3)' (2xy|0,0,1)' (2y|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x-y,-y,-z+2/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+4/3;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (x-y,-y,-z+5/3;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) 6b (x,0,5/6;mx,2mx,mz) (0,x,13/6;-2mx,-mx,mz) (-x,-x,3/2;mx,-mx,mz) (x,0,-1/6;-mx,-2mx,-mz) (0,x,-5/6;2mx,mx,-mz) (-x,-x,1/2;-mx,mx,-mz) 6a (x,0,1/3;mx,0,0) (0,x,5/3;0,mx,0) (-x,-x,1;-mx,-mx,0) (x,0,4/3;-mx,0,0) (0,x,2/3;0,-mx,0) (-x,-x,2;mx,mx,0) Operators (BNS): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (2x|0,0,1/3) (2xy|0,0,0) (2y|0,0,2/3) (1|0,0,1/2)' (3z|0,0,1/6)' (3z-1|0,0,5/6)' (2x|0,0,5/6)' (2xy|0,0,1/2)' (2y|0,0,1/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x-y,-y,-z+1/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (x-y,-y,-z+5/6;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/6;mx,mx-my,mz) 6b (x,0,5/12;mx,2mx,mz) (0,x,1/12;-2mx,-mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,0,11/12;-mx,-2mx,-mz) (0,x,7/12;2mx,mx,-mz) (-x,-x,1/4;-mx,mx,-mz) 6a (x,0,1/6;mx,0,0) (0,x,5/6;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (x,0,2/3;-mx,0,0) (0,x,1/3;0,-mx,0) (-x,-x,0;mx,mx,0) ---------- OG: 153.1.1267 P3_212 UNI: 153.37 P3_212.1 BNS: 153.37 P3_212 Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (21|0,0,0) (22|0,0,2/3) (23|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+2/3;-mx+my,my,-mz) (-y,-x,-z+1/3;-my,-mx,-mz) 3b (x,-x,1/6;mx,-mx,0) (x,2x,5/6;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) 3a (x,-x,2/3;mx,-mx,0) (x,2x,1/3;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) ---------- OG: 153.2.1268 P3_2121' UNI: 153.38 P3_212.1' BNS: 153.38 P3_2121' Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (21|0,0,0) (22|0,0,2/3) (23|0,0,1/3) (1|0,0,0)' (3z|0,0,2/3)' (3z-1|0,0,1/3)' (21|0,0,0)' (22|0,0,2/3)' (23|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x+y,-x,z+1/3;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z+2/3;0,0,0) (-y,-x,-z+1/3;0,0,0) 3b (x,-x,1/6;0,0,0) (x,2x,5/6;0,0,0) (-2x,-x,1/2;0,0,0) 3a (x,-x,2/3;0,0,0) (x,2x,1/3;0,0,0) (-2x,-x,0;0,0,0) ---------- OG: 153.3.1269 P3_212' UNI: 153.39 P3_212' BNS: 153.39 P3_212' Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (21|0,0,0)' (22|0,0,2/3)' (23|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z+2/3;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 3b (x,-x,1/6;mx,mx,mz) (x,2x,5/6;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) 3a (x,-x,2/3;mx,mx,mz) (x,2x,1/3;-mx,0,mz) (-2x,-x,0;0,-mx,mz) ---------- OG: 153.4.1270 P_2c3_112' UNI: 151.32 P3_112.1'_c[P3_212] BNS: 151.32 P_c3_112 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,4/3) (21|0,0,0) (22|0,0,2/3) (23|0,0,4/3) (1|0,0,1)' (3z|0,0,5/3)' (3z-1|0,0,1/3)' (21|0,0,1)' (22|0,0,5/3)' (23|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+2/3;-mx+my,my,-mz) (-y,-x,-z+4/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+5/3;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 6b (x,-x,1/6;mx,mx,mz) (x,2x,5/6;-mx,0,mz) (-2x,-x,3/2;0,-mx,mz) (x,2x,-1/6;mx,0,-mz) (-2x,-x,1/2;0,mx,-mz) (x,-x,7/6;-mx,-mx,-mz) 6a (x,-x,2/3;mx,-mx,0) (x,2x,4/3;mx,2mx,0) (-2x,-x,2;-2mx,-mx,0) (x,-x,5/3;-mx,mx,0) (x,2x,7/3;-mx,-2mx,0) (-2x,-x,1;2mx,mx,0) Operators (BNS): (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (21|0,0,0) (22|0,0,1/3) (23|0,0,2/3) (1|0,0,1/2)' (3z|0,0,5/6)' (3z-1|0,0,1/6)' (21|0,0,1/2)' (22|0,0,5/6)' (23|0,0,1/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z+1/3;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+5/6;mx-my,-my,mz) (-y,-x,-z+1/6;my,mx,mz) 6b (x,-x,1/12;mx,mx,mz) (x,2x,5/12;-mx,0,mz) (-2x,-x,3/4;0,-mx,mz) (x,2x,11/12;mx,0,-mz) (-2x,-x,1/4;0,mx,-mz) (x,-x,7/12;-mx,-mx,-mz) 6a (x,-x,1/3;mx,-mx,0) (x,2x,2/3;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (x,-x,5/6;-mx,mx,0) (x,2x,1/6;-mx,-2mx,0) (-2x,-x,1/2;2mx,mx,0) ---------- OG: 154.1.1271 P3_221 UNI: 154.41 P3_221.1 BNS: 154.41 P3_221 Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (2x|0,0,1/3) (2xy|0,0,0) (2y|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x-y,-y,-z+1/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) 3b (x,0,1/6;mx,0,0) (0,x,5/6;0,mx,0) (-x,-x,1/2;-mx,-mx,0) 3a (x,0,2/3;mx,0,0) (0,x,1/3;0,mx,0) (-x,-x,0;-mx,-mx,0) ---------- OG: 154.2.1272 P3_2211' UNI: 154.42 P3_221.1' BNS: 154.42 P3_2211' Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (2x|0,0,1/3) (2xy|0,0,0) (2y|0,0,2/3) (1|0,0,0)' (3z|0,0,2/3)' (3z-1|0,0,1/3)' (2x|0,0,1/3)' (2xy|0,0,0)' (2y|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x+y,-x,z+1/3;0,0,0) (x-y,-y,-z+1/3;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z+2/3;0,0,0) 3b (x,0,1/6;0,0,0) (0,x,5/6;0,0,0) (-x,-x,1/2;0,0,0) 3a (x,0,2/3;0,0,0) (0,x,1/3;0,0,0) (-x,-x,0;0,0,0) ---------- OG: 154.3.1273 P3_22'1 UNI: 154.43 P3_22'1 BNS: 154.43 P3_22'1 Operators: (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,1/3) (2x|0,0,1/3)' (2xy|0,0,0)' (2y|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (x-y,-y,-z+1/3;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) 3b (x,0,1/6;mx,2mx,mz) (0,x,5/6;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) 3a (x,0,2/3;mx,2mx,mz) (0,x,1/3;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) ---------- OG: 154.4.1274 P_2c3_12'1 UNI: 152.36 P3_121.1'_c[P3_221] BNS: 152.36 P_c3_121 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,2/3) (3z-1|0,0,4/3) (2x|0,0,4/3) (2xy|0,0,0) (2y|0,0,2/3) (1|0,0,1)' (3z|0,0,5/3)' (3z-1|0,0,1/3)' (2x|0,0,1/3)' (2xy|0,0,1)' (2y|0,0,5/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (x-y,-y,-z+4/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (x-y,-y,-z+1/3;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+5/3;mx,mx-my,mz) 6b (x,0,1/6;mx,2mx,mz) (0,x,5/6;-2mx,-mx,mz) (-x,-x,3/2;mx,-mx,mz) (x,0,7/6;-mx,-2mx,-mz) (0,x,-1/6;2mx,mx,-mz) (-x,-x,1/2;-mx,mx,-mz) 6a (x,0,2/3;mx,0,0) (0,x,4/3;0,mx,0) (-x,-x,2;-mx,-mx,0) (x,0,5/3;-mx,0,0) (0,x,7/3;0,-mx,0) (-x,-x,1;mx,mx,0) Operators (BNS): (1|0,0,0) (3z|0,0,1/3) (3z-1|0,0,2/3) (2x|0,0,2/3) (2xy|0,0,0) (2y|0,0,1/3) (1|0,0,1/2)' (3z|0,0,5/6)' (3z-1|0,0,1/6)' (2x|0,0,1/6)' (2xy|0,0,1/2)' (2y|0,0,5/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (x-y,-y,-z+2/3;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (x-y,-y,-z+1/6;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+5/6;mx,mx-my,mz) 6b (x,0,1/12;mx,2mx,mz) (0,x,5/12;-2mx,-mx,mz) (-x,-x,3/4;mx,-mx,mz) (x,0,7/12;-mx,-2mx,-mz) (0,x,11/12;2mx,mx,-mz) (-x,-x,1/4;-mx,mx,-mz) 6a (x,0,1/3;mx,0,0) (0,x,2/3;0,mx,0) (-x,-x,0;-mx,-mx,0) (x,0,5/6;-mx,0,0) (0,x,1/6;0,-mx,0) (-x,-x,1/2;mx,mx,0) ---------- OG: 155.1.1275 R32 UNI: 155.45 R32.1 BNS: 155.45 R32 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) 9e (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) 9d (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 155.2.1276 R321' UNI: 155.46 R32.1' BNS: 155.46 R321' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) 9e (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 9d (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) 6c (0,0,z;0,0,0) (0,0,-z;0,0,0) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 155.3.1277 R32' UNI: 155.47 R32' BNS: 155.47 R32' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) 9e (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) 9d (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 3b (0,0,1/2;0,0,mz) 3a (0,0,0;0,0,mz) ---------- OG: 155.4.1278 R_R32 UNI: 155.48 R32.1'_c[R32] BNS: 155.48 R_I32 OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) 18e (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) 18d (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (-x,-x,1;mx,mx,0) 12c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 6b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) 18e (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) 18d (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) (-x,-x,1/2;mx,mx,0) 12c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 6b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 156.1.1279 P3m1 UNI: 156.49 P3m1.1 BNS: 156.49 P3m1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 3d (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) 1c (2/3,1/3,z;0,0,0) 1b (1/3,2/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 156.2.1280 P3m11' UNI: 156.50 P3m1.1' BNS: 156.50 P3m11' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6e (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) 3d (x,-x,z;0,0,0) (x,2x,z;0,0,0) (-2x,-x,z;0,0,0) 1c (2/3,1/3,z;0,0,0) 1b (1/3,2/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 156.3.1281 P3m'1 UNI: 156.51 P3m'1 BNS: 156.51 P3m'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 3d (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) 1c (2/3,1/3,z;0,0,mz) 1b (1/3,2/3,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 156.4.1282 P_2c3m1 UNI: 156.52 P3m1.1'_c[P3m1] BNS: 156.52 P_c3m1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) 6d (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,-x,z+1;-mx,-mx,0) (x,2x,z+1;mx,0,0) (-2x,-x,z+1;0,mx,0) 2c (2/3,1/3,z;0,0,0) (2/3,1/3,z+1;0,0,0) 2b (1/3,2/3,z;0,0,0) (1/3,2/3,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 12e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6d (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,2x,z+1/2;mx,0,0) (-2x,-x,z+1/2;0,mx,0) 2c (2/3,1/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2b (1/3,2/3,z;0,0,0) (1/3,2/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 156.5.1283 P_2c3m'1 UNI: 158.60 P3c1.1'_c[P3m1] BNS: 158.60 P_c3c1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6d (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) 2c (2/3,1/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,-mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 12e (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6d (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) 2c (2/3,1/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 157.1.1284 P31m UNI: 157.53 P31m.1 BNS: 157.53 P31m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 3c (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) 1a (0,0,z;0,0,0) ---------- OG: 157.2.1285 P31m1' UNI: 157.54 P31m.1' BNS: 157.54 P31m1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 3c (x,0,z;0,0,0) (0,x,z;0,0,0) (-x,-x,z;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 157.3.1286 P31m' UNI: 157.55 P31m' BNS: 157.55 P31m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 3c (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 157.4.1287 P_2c31m UNI: 157.56 P31m.1'_c[P31m] BNS: 157.56 P_c31m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 6c (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,z+1;-mx,-2mx,0) (0,x,z+1;2mx,mx,0) (-x,-x,z+1;-mx,mx,0) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,mz) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 12d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6c (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,z+1/2;-mx,-2mx,0) (0,x,z+1/2;2mx,mx,0) (-x,-x,z+1/2;-mx,mx,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 157.5.1288 P_2c31m' UNI: 159.64 P31c.1'_c[P31m] BNS: 159.64 P_c31c OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6c (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 12d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6c (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 158.1.1289 P3c1 UNI: 158.57 P3c1.1 BNS: 158.57 P3c1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 2c (2/3,1/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 158.2.1290 P3c11' UNI: 158.58 P3c1.1' BNS: 158.58 P3c11' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) 2c (2/3,1/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2b (1/3,2/3,z;0,0,0) (1/3,2/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 158.3.1291 P3c'1 UNI: 158.59 P3c'1 BNS: 158.59 P3c'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 2c (2/3,1/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 2b (1/3,2/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 159.1.1292 P31c UNI: 159.61 P31c.1 BNS: 159.61 P31c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 159.2.1293 P31c1' UNI: 159.62 P31c.1' BNS: 159.62 P31c1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 159.3.1294 P31c' UNI: 159.63 P31c' BNS: 159.63 P31c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 160.1.1295 R3m UNI: 160.65 R3m.1 BNS: 160.65 R3m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 9b (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) 3a (0,0,z;0,0,0) ---------- OG: 160.2.1296 R3m1' UNI: 160.66 R3m.1' BNS: 160.66 R3m1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18c (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) 9b (x,-x,z;0,0,0) (x,2x,z;0,0,0) (-2x,-x,z;0,0,0) 3a (0,0,z;0,0,0) ---------- OG: 160.3.1297 R3m' UNI: 160.67 R3m' BNS: 160.67 R3m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 9b (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) 3a (0,0,z;0,0,mz) ---------- OG: 160.4.1298 R_R3m UNI: 160.68 R3m.1'_c[R3m] BNS: 160.68 R_I3m OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 36c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) 18b (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,-x,z+1;-mx,-mx,0) (x,2x,z+1;mx,0,0) (-2x,-x,z+1;0,mx,0) 6a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 18b (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,2x,z+1/2;mx,0,0) (-2x,-x,z+1/2;0,mx,0) 6a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 160.5.1299 R_R3m' UNI: 161.72 R3c.1'_c[R3m] BNS: 161.72 R_I3c OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 36c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 18b (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36c (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 18b (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 161.1.1300 R3c UNI: 161.69 R3c.1 BNS: 161.69 R3c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18b (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 161.2.1301 R3c1' UNI: 161.70 R3c.1' BNS: 161.70 R3c1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18b (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) 6a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 161.3.1302 R3c' UNI: 161.71 R3c' BNS: 161.71 R3c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 18b (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 162.1.1303 P-31m UNI: 162.73 P-31m.1 BNS: 162.73 P-31m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6k (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) 6j (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,x,1/2;mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (2x,x,1/2;-2mx,-mx,0) 6i (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,x,0;mx,-mx,0) (-x,-2x,0;mx,2mx,0) (2x,x,0;-2mx,-mx,0) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z;0,0,-mz) 3g (1/2,0,1/2;mx,2mx,0) (0,1/2,1/2;-2mx,-mx,0) (1/2,1/2,1/2;mx,-mx,0) 3f (1/2,0,0;mx,2mx,0) (0,1/2,0;-2mx,-mx,0) (1/2,1/2,0;mx,-mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 162.2.1304 P-31m1' UNI: 162.74 P-31m.1' BNS: 162.74 P-31m1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 6k (x,0,z;0,0,0) (0,x,z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,0,-z;0,0,0) (0,-x,-z;0,0,0) 6j (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) (2x,x,1/2;0,0,0) 6i (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,x,0;0,0,0) (-x,-2x,0;0,0,0) (2x,x,0;0,0,0) 4h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) (2/3,1/3,-z;0,0,0) (2/3,1/3,z;0,0,0) 3g (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 162.3.1305 P-3'1m UNI: 162.75 P-3'1m BNS: 162.75 P-3'1m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6k (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 6j (x,-x,1/2;mx,mx,mz) (x,2x,1/2;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) (-x,x,1/2;-mx,-mx,-mz) (-x,-2x,1/2;mx,0,-mz) (2x,x,1/2;0,mx,-mz) 6i (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (-x,x,0;-mx,-mx,-mz) (-x,-2x,0;mx,0,-mz) (2x,x,0;0,mx,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z;0,0,-mz) 3g (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 162.4.1306 P-3'1m' UNI: 162.76 P-3'1m' BNS: 162.76 P-3'1m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6k (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) 6j (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,x,1/2;-mx,mx,0) (-x,-2x,1/2;-mx,-2mx,0) (2x,x,1/2;2mx,mx,0) 6i (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,x,0;-mx,mx,0) (-x,-2x,0;-mx,-2mx,0) (2x,x,0;2mx,mx,0) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z;0,0,mz) 3g (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 162.5.1307 P-31m' UNI: 162.77 P-31m' BNS: 162.77 P-31m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6k (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) 6j (x,-x,1/2;mx,mx,mz) (x,2x,1/2;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) (-x,x,1/2;mx,mx,mz) (-x,-2x,1/2;-mx,0,mz) (2x,x,1/2;0,-mx,mz) 6i (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (-x,x,0;mx,mx,mz) (-x,-2x,0;-mx,0,mz) (2x,x,0;0,-mx,mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z;0,0,mz) 3g (1/2,0,1/2;mx,0,mz) (0,1/2,1/2;0,mx,mz) (1/2,1/2,1/2;-mx,-mx,mz) 3f (1/2,0,0;mx,0,mz) (0,1/2,0;0,mx,mz) (1/2,1/2,0;-mx,-mx,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 162.6.1308 P_2c-31m UNI: 162.78 P-31m.1'_c[P-31m] BNS: 162.78 P_c-31m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 12k (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) (x,0,z+1;-mx,-2mx,0) (0,x,z+1;2mx,mx,0) (-x,-x,z+1;-mx,mx,0) (x,x,-z+1;-mx,mx,0) (-x,0,-z+1;-mx,-2mx,0) (0,-x,-z+1;2mx,mx,0) 12j (x,-x,1/2;mx,mx,mz) (x,2x,1/2;-mx,0,mz) (-2x,-x,1/2;0,-mx,mz) (x,2x,-1/2;mx,0,-mz) (-2x,-x,-1/2;0,mx,-mz) (x,-x,-1/2;-mx,-mx,-mz) (-x,x,-1/2;mx,mx,mz) (-x,-2x,-1/2;-mx,0,mz) (2x,x,-1/2;0,-mx,mz) (-x,-2x,1/2;mx,0,-mz) (2x,x,1/2;0,mx,-mz) (-x,x,1/2;-mx,-mx,-mz) 12i (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,x,0;mx,-mx,0) (-x,-2x,0;mx,2mx,0) (2x,x,0;-2mx,-mx,0) (x,-x,1;-mx,mx,0) (x,2x,1;-mx,-2mx,0) (-2x,-x,1;2mx,mx,0) (-x,x,1;-mx,mx,0) (-x,-2x,1;-mx,-2mx,0) (2x,x,1;2mx,mx,0) 8h (1/3,2/3,z;0,0,mz) (1/3,-1/3,-z;0,0,-mz) (-1/3,-2/3,-z;0,0,mz) (-1/3,1/3,z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (1/3,-1/3,-z+1;0,0,mz) (-1/3,-2/3,-z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,mz) 6g (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 6f (1/2,0,0;mx,2mx,0) (0,1/2,0;-2mx,-mx,0) (-1/2,-1/2,0;mx,-mx,0) (1/2,0,1;-mx,-2mx,0) (0,1/2,1;2mx,mx,0) (-1/2,-1/2,1;-mx,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4d (1/3,2/3,1/2;0,0,mz) (1/3,-1/3,-1/2;0,0,-mz) (-1/3,-2/3,-1/2;0,0,mz) (-1/3,1/3,1/2;0,0,-mz) 4c (1/3,2/3,0;0,0,0) (-1/3,-2/3,0;0,0,0) (1/3,2/3,1;0,0,0) (-1/3,-2/3,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) (x,0,z+1/2;-mx,-2mx,0) (0,x,z+1/2;2mx,mx,0) (-x,-x,z+1/2;-mx,mx,0) (x,x,-z+1/2;-mx,mx,0) (-x,0,-z+1/2;-mx,-2mx,0) (0,-x,-z+1/2;2mx,mx,0) 12j (x,-x,1/4;mx,mx,mz) (x,2x,1/4;-mx,0,mz) (-2x,-x,1/4;0,-mx,mz) (x,2x,3/4;mx,0,-mz) (-2x,-x,3/4;0,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) (-x,x,3/4;mx,mx,mz) (-x,-2x,3/4;-mx,0,mz) (2x,x,3/4;0,-mx,mz) (-x,-2x,1/4;mx,0,-mz) (2x,x,1/4;0,mx,-mz) (-x,x,1/4;-mx,-mx,-mz) 12i (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,x,0;mx,-mx,0) (-x,-2x,0;mx,2mx,0) (2x,x,0;-2mx,-mx,0) (x,-x,1/2;-mx,mx,0) (x,2x,1/2;-mx,-2mx,0) (-2x,-x,1/2;2mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x,-2x,1/2;-mx,-2mx,0) (2x,x,1/2;2mx,mx,0) 8h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 6g (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) 6f (1/2,0,0;mx,2mx,0) (0,1/2,0;-2mx,-mx,0) (1/2,1/2,0;mx,-mx,0) (1/2,0,1/2;-mx,-2mx,0) (0,1/2,1/2;2mx,mx,0) (1/2,1/2,1/2;-mx,mx,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) (2/3,1/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) 4c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 162.7.1309 P_2c-31m' UNI: 163.84 P-31c.1'_c[P-31m] BNS: 163.84 P_c-31c OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1) (22|0,0,1) (23|0,0,1) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1;mx,mx-my,-mz) (-x+y,y,-z+1;-mx+my,my,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1;mx,mx,-mz) (-x,0,-z+1;-mx,0,-mz) (0,-x,-z+1;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 12j (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,x,-1/2;mx,-mx,0) (-x,-2x,-1/2;mx,2mx,0) (2x,x,-1/2;-2mx,-mx,0) (x,-x,3/2;-mx,mx,0) (x,2x,3/2;-mx,-2mx,0) (-2x,-x,3/2;2mx,mx,0) (-x,x,1/2;-mx,mx,0) (-x,-2x,1/2;-mx,-2mx,0) (2x,x,1/2;2mx,mx,0) 12i (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (x,2x,1;mx,0,-mz) (-2x,-x,1;0,mx,-mz) (x,-x,1;-mx,-mx,-mz) (-x,x,0;mx,mx,mz) (-x,-2x,0;-mx,0,mz) (2x,x,0;0,-mx,mz) (-x,-2x,1;mx,0,-mz) (2x,x,1;0,mx,-mz) (-x,x,1;-mx,-mx,-mz) 8h (1/3,2/3,z;0,0,mz) (1/3,-1/3,-z+1;0,0,-mz) (-1/3,-2/3,-z;0,0,mz) (-1/3,1/3,z+1;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (1/3,-1/3,-z;0,0,mz) (-1/3,-2/3,-z+1;0,0,-mz) (-1/3,1/3,z;0,0,mz) 6g (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 6f (1/2,0,0;mx,0,mz) (0,1/2,0;0,mx,mz) (-1/2,-1/2,0;-mx,-mx,mz) (1/2,1/2,1;mx,mx,-mz) (-1/2,0,1;-mx,0,-mz) (0,-1/2,1;0,-mx,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4d (1/3,2/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) (1/3,2/3,3/2;0,0,0) (-1/3,-2/3,1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (1/3,-1/3,1;0,0,-mz) (-1/3,-2/3,0;0,0,mz) (-1/3,1/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x,0,-z+1/2;-mx,0,-mz) (0,-x,-z+1/2;0,-mx,-mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 12j (x,-x,1/4;mx,-mx,0) (x,2x,1/4;mx,2mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,x,3/4;mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (2x,x,3/4;-2mx,-mx,0) (x,-x,3/4;-mx,mx,0) (x,2x,3/4;-mx,-2mx,0) (-2x,-x,3/4;2mx,mx,0) (-x,x,1/4;-mx,mx,0) (-x,-2x,1/4;-mx,-2mx,0) (2x,x,1/4;2mx,mx,0) 12i (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (x,2x,1/2;mx,0,-mz) (-2x,-x,1/2;0,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) (-x,x,0;mx,mx,mz) (-x,-2x,0;-mx,0,mz) (2x,x,0;0,-mx,mz) (-x,-2x,1/2;mx,0,-mz) (2x,x,1/2;0,mx,-mz) (-x,x,1/2;-mx,-mx,-mz) 8h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,z;0,0,mz) 6g (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 6f (1/2,0,0;mx,0,mz) (0,1/2,0;0,mx,mz) (1/2,1/2,0;-mx,-mx,mz) (1/2,1/2,1/2;mx,mx,-mz) (1/2,0,1/2;-mx,0,-mz) (0,1/2,1/2;0,-mx,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 4c (1/3,2/3,0;0,0,mz) (1/3,2/3,1/2;0,0,-mz) (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 163.1.1310 P-31c UNI: 163.79 P-31c.1 BNS: 163.79 P-31c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6h (x,-x,1/4;mx,-mx,0) (x,2x,1/4;mx,2mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,x,3/4;mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (2x,x,3/4;-2mx,-mx,0) 6g (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,1/2,1/2;mx,mx-my,-mz) (1/2,0,1/2;-mx+my,my,-mz) (0,1/2,1/2;-my,-mx,-mz) 4f (1/3,2/3,z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 163.2.1311 P-31c1' UNI: 163.80 P-31c.1' BNS: 163.80 P-31c1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x,x-y,-z+1/2;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 6h (x,-x,1/4;0,0,0) (x,2x,1/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-x,-2x,3/4;0,0,0) (2x,x,3/4;0,0,0) 6g (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 163.3.1312 P-3'1c UNI: 163.81 P-3'1c BNS: 163.81 P-3'1c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6h (x,-x,1/4;mx,mx,mz) (x,2x,1/4;-mx,0,mz) (-2x,-x,1/4;0,-mx,mz) (-x,x,3/4;-mx,-mx,-mz) (-x,-2x,3/4;mx,0,-mz) (2x,x,3/4;0,mx,-mz) 6g (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 163.4.1313 P-3'1c' UNI: 163.82 P-3'1c' BNS: 163.82 P-3'1c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6h (x,-x,1/4;mx,-mx,0) (x,2x,1/4;mx,2mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,x,3/4;-mx,mx,0) (-x,-2x,3/4;-mx,-2mx,0) (2x,x,3/4;2mx,mx,0) 6g (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 163.5.1314 P-31c' UNI: 163.83 P-31c' BNS: 163.83 P-31c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6h (x,-x,1/4;mx,mx,mz) (x,2x,1/4;-mx,0,mz) (-2x,-x,1/4;0,-mx,mz) (-x,x,3/4;mx,mx,mz) (-x,-2x,3/4;-mx,0,mz) (2x,x,3/4;0,-mx,mz) 6g (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,1/2,1/2;-mx,-mx+my,mz) (1/2,0,1/2;mx-my,-my,mz) (0,1/2,1/2;my,mx,mz) 4f (1/3,2/3,z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 164.1.1315 P-3m1 UNI: 164.85 P-3m1.1 BNS: 164.85 P-3m1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 6i (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) 6h (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,1/2;mx,0,0) (0,-x,1/2;0,mx,0) (x,x,1/2;-mx,-mx,0) 6g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) 3f (1/2,0,1/2;mx,0,0) (0,1/2,1/2;0,mx,0) (1/2,1/2,1/2;-mx,-mx,0) 3e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (1/2,1/2,0;-mx,-mx,0) 2d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2c (0,0,z;0,0,0) (0,0,-z;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 164.2.1316 P-3m11' UNI: 164.86 P-3m1.1' BNS: 164.86 P-3m11' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) 6i (x,-x,z;0,0,0) (x,2x,z;0,0,0) (-2x,-x,z;0,0,0) (2x,x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-2x,-z;0,0,0) 6h (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,-x,1/2;0,0,0) (x,x,1/2;0,0,0) 6g (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) (-x,0,0;0,0,0) (0,-x,0;0,0,0) (x,x,0;0,0,0) 3f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2c (0,0,z;0,0,0) (0,0,-z;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 164.3.1317 P-3'm1 UNI: 164.87 P-3'm1 BNS: 164.87 P-3'm1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 6i (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-2x,-z;mx,0,0) 6h (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 6g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,0,0;-mx,-2mx,-mz) (0,-x,0;2mx,mx,-mz) (x,x,0;-mx,mx,-mz) 3f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2c (0,0,z;0,0,0) (0,0,-z;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 164.4.1318 P-3'm'1 UNI: 164.88 P-3'm'1 BNS: 164.88 P-3'm'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6i (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-2x,-z;-mx,-2mx,-mz) 6h (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 6g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;-mx,0,0) (0,-x,0;0,-mx,0) (x,x,0;mx,mx,0) 3f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 3e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 164.5.1319 P-3m'1 UNI: 164.89 P-3m'1 BNS: 164.89 P-3m'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6i (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) 6h (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (-x,0,1/2;mx,2mx,mz) (0,-x,1/2;-2mx,-mx,mz) (x,x,1/2;mx,-mx,mz) 6g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) 3f (1/2,0,1/2;mx,2mx,mz) (0,1/2,1/2;-2mx,-mx,mz) (1/2,1/2,1/2;mx,-mx,mz) 3e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (1/2,1/2,0;mx,-mx,mz) 2d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 164.6.1320 P_2c-3m1 UNI: 164.90 P-3m1.1'_c[P-3m1] BNS: 164.90 P_c-3m1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) 12i (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) (x,-x,z+1;-mx,-mx,0) (x,2x,z+1;mx,0,0) (-2x,-x,z+1;0,mx,0) (2x,x,-z+1;0,mx,0) (-x,x,-z+1;-mx,-mx,0) (-x,-2x,-z+1;mx,0,0) 12h (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) (-x,0,-1/2;mx,2mx,mz) (0,-x,-1/2;-2mx,-mx,mz) (x,x,-1/2;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 12g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (-x,-x,1;mx,mx,0) (-x,0,1;-mx,0,0) (0,-x,1;0,-mx,0) (x,x,1;mx,mx,0) 6f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 6e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (-1/2,-1/2,0;-mx,-mx,0) (1/2,0,1;-mx,0,0) (0,1/2,1;0,-mx,0) (-1/2,-1/2,1;mx,mx,0) 4d (1/3,2/3,z;0,0,0) (-1/3,-2/3,-z;0,0,0) (1/3,2/3,z+1;0,0,0) (-1/3,-2/3,-z+1;0,0,0) 4c (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 24j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 12i (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) (x,-x,z+1/2;-mx,-mx,0) (x,2x,z+1/2;mx,0,0) (-2x,-x,z+1/2;0,mx,0) (2x,x,-z+1/2;0,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-2x,-z+1/2;mx,0,0) 12h (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) (-x,0,3/4;mx,2mx,mz) (0,-x,3/4;-2mx,-mx,mz) (x,x,3/4;mx,-mx,mz) (-x,0,1/4;-mx,-2mx,-mz) (0,-x,1/4;2mx,mx,-mz) (x,x,1/4;-mx,mx,-mz) 12g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) (-x,-x,1/2;mx,mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 6f (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 6e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (1/2,1/2,0;-mx,-mx,0) (1/2,0,1/2;-mx,0,0) (0,1/2,1/2;0,-mx,0) (1/2,1/2,1/2;mx,mx,0) 4d (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,-z+1/2;0,0,0) 4c (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 164.7.1321 P_2c-3m'1 UNI: 165.96 P-3c1.1'_c[P-3m1] BNS: 165.96 P_c-3c1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1) (2xy|0,0,1) (2y|0,0,1) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1;mx-my,-my,-mz) (y,x,-z+1;my,mx,-mz) (-x,-x+y,-z+1;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 12i (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z+1;2mx,mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (-x,-2x,-z+1;-mx,-2mx,-mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) 12h (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,-1/2;mx,0,0) (0,-x,-1/2;0,mx,0) (x,x,-1/2;-mx,-mx,0) (x,0,3/2;-mx,0,0) (0,x,3/2;0,-mx,0) (-x,-x,3/2;mx,mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 12g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (x,0,1;-mx,-2mx,-mz) (0,x,1;2mx,mx,-mz) (-x,-x,1;-mx,mx,-mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) (-x,0,1;-mx,-2mx,-mz) (0,-x,1;2mx,mx,-mz) (x,x,1;-mx,mx,-mz) 6f (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 6e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (-1/2,-1/2,0;mx,-mx,mz) (1/2,0,1;-mx,-2mx,-mz) (0,1/2,1;2mx,mx,-mz) (-1/2,-1/2,1;-mx,mx,-mz) 4d (1/3,2/3,z;0,0,mz) (-1/3,-2/3,-z+1;0,0,-mz) (-1/3,-2/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 24j (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 12i (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z+1/2;2mx,mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-2x,-z+1/2;-mx,-2mx,-mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) 12h (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (x,x,3/4;-mx,-mx,0) (x,0,3/4;-mx,0,0) (0,x,3/4;0,-mx,0) (-x,-x,3/4;mx,mx,0) (-x,0,1/4;-mx,0,0) (0,-x,1/4;0,-mx,0) (x,x,1/4;mx,mx,0) 12g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (x,0,1/2;-mx,-2mx,-mz) (0,x,1/2;2mx,mx,-mz) (-x,-x,1/2;-mx,mx,-mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 6f (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 6e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (1/2,1/2,0;mx,-mx,mz) (1/2,0,1/2;-mx,-2mx,-mz) (0,1/2,1/2;2mx,mx,-mz) (1/2,1/2,1/2;-mx,mx,-mz) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 165.1.1322 P-3c1 UNI: 165.91 P-3c1.1 BNS: 165.91 P-3c1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 6f (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (x,x,3/4;-mx,-mx,0) 6e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;mx-my,-my,-mz) (0,1/2,1/2;my,mx,-mz) (1/2,1/2,1/2;-mx,-mx+my,-mz) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 165.2.1323 P-3c11' UNI: 165.92 P-3c1.1' BNS: 165.92 P-3c11' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12g (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z+1/2;0,0,0) (y,x,-z+1/2;0,0,0) (-x,-x+y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) 6f (x,0,1/4;0,0,0) (0,x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (-x,0,3/4;0,0,0) (0,-x,3/4;0,0,0) (x,x,3/4;0,0,0) 6e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/3,2/3,z;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,z+1/2;0,0,0) 4c (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 165.3.1324 P-3'c1 UNI: 165.93 P-3'c1 BNS: 165.93 P-3'c1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 6f (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (-x,0,3/4;-mx,-2mx,-mz) (0,-x,3/4;2mx,mx,-mz) (x,x,3/4;-mx,mx,-mz) 6e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) 4c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 165.4.1325 P-3'c'1 UNI: 165.94 P-3'c'1 BNS: 165.94 P-3'c'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6f (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (x,x,3/4;mx,mx,0) 6e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) 4c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 165.5.1326 P-3c'1 UNI: 165.95 P-3c'1 BNS: 165.95 P-3c'1 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12g (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6f (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (-x,0,3/4;mx,2mx,mz) (0,-x,3/4;-2mx,-mx,mz) (x,x,3/4;mx,-mx,mz) 6e (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;-mx+my,my,mz) (0,1/2,1/2;-my,-mx,mz) (1/2,1/2,1/2;mx,mx-my,mz) 4d (1/3,2/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) 4c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 166.1.1327 R-3m UNI: 166.97 R-3m.1 BNS: 166.97 R-3m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 18h (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) 18g (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,1/2;mx,0,0) (0,-x,1/2;0,mx,0) (x,x,1/2;-mx,-mx,0) 18f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) 9e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (1/2,1/2,0;-mx,-mx,0) 9d (1/2,0,1/2;mx,0,0) (0,1/2,1/2;0,mx,0) (1/2,1/2,1/2;-mx,-mx,0) 6c (0,0,z;0,0,0) (0,0,-z;0,0,0) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 166.2.1328 R-3m1' UNI: 166.98 R-3m.1' BNS: 166.98 R-3m1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36i (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) 18h (x,-x,z;0,0,0) (x,2x,z;0,0,0) (-2x,-x,z;0,0,0) (2x,x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-2x,-z;0,0,0) 18g (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,-x,1/2;0,0,0) (x,x,1/2;0,0,0) 18f (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) (-x,0,0;0,0,0) (0,-x,0;0,0,0) (x,x,0;0,0,0) 9e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 9d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6c (0,0,z;0,0,0) (0,0,-z;0,0,0) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 166.3.1329 R-3'm UNI: 166.99 R-3'm BNS: 166.99 R-3'm Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 18h (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-2x,-z;mx,0,0) 18g (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 18f (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,0,0;-mx,-2mx,-mz) (0,-x,0;2mx,mx,-mz) (x,x,0;-mx,mx,-mz) 9e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 9d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6c (0,0,z;0,0,0) (0,0,-z;0,0,0) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 166.4.1330 R-3'm' UNI: 166.100 R-3'm' BNS: 166.100 R-3'm' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 18h (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-2x,-z;-mx,-2mx,-mz) 18g (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 18f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;-mx,0,0) (0,-x,0;0,-mx,0) (x,x,0;mx,mx,0) 9e (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) 9d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 3b (0,0,1/2;0,0,0) 3a (0,0,0;0,0,0) ---------- OG: 166.5.1331 R-3m' UNI: 166.101 R-3m' BNS: 166.101 R-3m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 18h (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) 18g (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (-x,0,1/2;mx,2mx,mz) (0,-x,1/2;-2mx,-mx,mz) (x,x,1/2;mx,-mx,mz) 18f (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) 9e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (1/2,1/2,0;mx,-mx,mz) 9d (1/2,0,1/2;mx,2mx,mz) (0,1/2,1/2;-2mx,-mx,mz) (1/2,1/2,1/2;mx,-mx,mz) 6c (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 3b (0,0,1/2;0,0,mz) 3a (0,0,0;0,0,mz) ---------- OG: 166.6.1332 R_R-3m UNI: 166.102 R-3m.1'_c[R-3m] BNS: 166.102 R_I-3m OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 72i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) 36h (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) (x,-x,z+1;-mx,-mx,0) (x,2x,z+1;mx,0,0) (-2x,-x,z+1;0,mx,0) (2x,x,-z+1;0,mx,0) (-x,x,-z+1;-mx,-mx,0) (-x,-2x,-z+1;mx,0,0) 36g (x,0,1/2;mx,2mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,-x,1/2;mx,-mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) (-x,0,-1/2;mx,2mx,mz) (0,-x,-1/2;-2mx,-mx,mz) (x,x,-1/2;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 36f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) (-x,-x,1;mx,mx,0) (-x,0,1;-mx,0,0) (0,-x,1;0,-mx,0) (x,x,1;mx,mx,0) 18e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (-1/2,-1/2,0;-mx,-mx,0) (1/2,0,1;-mx,0,0) (0,1/2,1;0,-mx,0) (-1/2,-1/2,1;mx,mx,0) 18d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 12c (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 6b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 6a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 72i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 36h (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (-x,-2x,-z;-mx,0,0) (x,-x,z+1/2;-mx,-mx,0) (x,2x,z+1/2;mx,0,0) (-2x,-x,z+1/2;0,mx,0) (2x,x,-z+1/2;0,mx,0) (-x,x,-z+1/2;-mx,-mx,0) (-x,-2x,-z+1/2;mx,0,0) 36g (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) (-x,0,3/4;mx,2mx,mz) (0,-x,3/4;-2mx,-mx,mz) (x,x,3/4;mx,-mx,mz) (-x,0,1/4;-mx,-2mx,-mz) (0,-x,1/4;2mx,mx,-mz) (x,x,1/4;-mx,mx,-mz) 36f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,0,0;mx,0,0) (0,-x,0;0,mx,0) (x,x,0;-mx,-mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) (-x,-x,1/2;mx,mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 18e (1/2,0,0;mx,0,0) (0,1/2,0;0,mx,0) (1/2,1/2,0;-mx,-mx,0) (1/2,0,1/2;-mx,0,0) (0,1/2,1/2;0,-mx,0) (1/2,1/2,1/2;mx,mx,0) 18d (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 12c (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 6b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 6a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 166.7.1333 R_R-3m' UNI: 167.108 R-3c.1'_c[R-3m] BNS: 167.108 R_I-3c OG-BNS transformation: (0,0,0;-a,-b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1) (2xy|0,0,1) (2y|0,0,1) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,1)' (-3z|0,0,1)' (-3z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (-1,0,0)+ (0,-1,0)+ (0,0,2)+ (-2/3,-1/3,2/3)+ (-1/3,-2/3,4/3)+ 72i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1;mx-my,-my,-mz) (y,x,-z+1;my,mx,-mz) (-x,-x+y,-z+1;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z+1;-mx,-my,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 36h (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z+1;2mx,mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (-x,-2x,-z+1;-mx,-2mx,-mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) 36g (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) (-x,0,-1/2;mx,0,0) (0,-x,-1/2;0,mx,0) (x,x,-1/2;-mx,-mx,0) (x,0,3/2;-mx,0,0) (0,x,3/2;0,-mx,0) (-x,-x,3/2;mx,mx,0) (-x,0,1/2;-mx,0,0) (0,-x,1/2;0,-mx,0) (x,x,1/2;mx,mx,0) 36f (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (x,0,1;-mx,-2mx,-mz) (0,x,1;2mx,mx,-mz) (-x,-x,1;-mx,mx,-mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) (-x,0,1;-mx,-2mx,-mz) (0,-x,1;2mx,mx,-mz) (x,x,1;-mx,mx,-mz) 18e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (-1/2,-1/2,0;mx,-mx,mz) (1/2,0,1;-mx,-2mx,-mz) (0,1/2,1;2mx,mx,-mz) (-1/2,-1/2,1;-mx,mx,-mz) 18d (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,-1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 6b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 6a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-1|0,0,1/2)' (-3z|0,0,1/2)' (-3z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 72i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 36h (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (2x,x,-z+1/2;2mx,mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (-x,-2x,-z+1/2;-mx,-2mx,-mz) (-x,x,-z;mx,-mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) 36g (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (x,x,3/4;-mx,-mx,0) (x,0,3/4;-mx,0,0) (0,x,3/4;0,-mx,0) (-x,-x,3/4;mx,mx,0) (-x,0,1/4;-mx,0,0) (0,-x,1/4;0,-mx,0) (x,x,1/4;mx,mx,0) 36f (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (x,0,1/2;-mx,-2mx,-mz) (0,x,1/2;2mx,mx,-mz) (-x,-x,1/2;-mx,mx,-mz) (-x,0,0;mx,2mx,mz) (0,-x,0;-2mx,-mx,mz) (x,x,0;mx,-mx,mz) (-x,0,1/2;-mx,-2mx,-mz) (0,-x,1/2;2mx,mx,-mz) (x,x,1/2;-mx,mx,-mz) 18e (1/2,0,0;mx,2mx,mz) (0,1/2,0;-2mx,-mx,mz) (1/2,1/2,0;mx,-mx,mz) (1/2,0,1/2;-mx,-2mx,-mz) (0,1/2,1/2;2mx,mx,-mz) (1/2,1/2,1/2;-mx,mx,-mz) 18d (1/2,0,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 6b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 6a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 167.1.1334 R-3c UNI: 167.103 R-3c.1 BNS: 167.103 R-3c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 18e (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;mx,0,0) (0,-x,3/4;0,mx,0) (x,x,3/4;-mx,-mx,0) 18d (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;mx-my,-my,-mz) (0,1/2,1/2;my,mx,-mz) (1/2,1/2,1/2;-mx,-mx+my,-mz) 12c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 6b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 6a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 167.2.1335 R-3c1' UNI: 167.104 R-3c.1' BNS: 167.104 R-3c1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z+1/2;0,0,0) (y,x,-z+1/2;0,0,0) (-x,-x+y,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (y,-x+y,-z;0,0,0) (x-y,x,-z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) 18e (x,0,1/4;0,0,0) (0,x,1/4;0,0,0) (-x,-x,1/4;0,0,0) (-x,0,3/4;0,0,0) (0,-x,3/4;0,0,0) (x,x,3/4;0,0,0) 18d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 12c (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 6b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 6a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 167.3.1336 R-3'c UNI: 167.105 R-3'c BNS: 167.105 R-3'c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 18e (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (-x,0,3/4;-mx,-2mx,-mz) (0,-x,3/4;2mx,mx,-mz) (x,x,3/4;-mx,mx,-mz) 18d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 6b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 6a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 167.4.1337 R-3'c' UNI: 167.106 R-3'c' BNS: 167.106 R-3'c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (-1|0,0,0)' (-3z|0,0,0)' (-3z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (-x,-y,-z;-mx,-my,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 18e (x,0,1/4;mx,0,0) (0,x,1/4;0,mx,0) (-x,-x,1/4;-mx,-mx,0) (-x,0,3/4;-mx,0,0) (0,-x,3/4;0,-mx,0) (x,x,3/4;mx,mx,0) 18d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 12c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 6b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 6a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 167.5.1338 R-3c' UNI: 167.107 R-3c' BNS: 167.107 R-3c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-1|0,0,0) (-3z|0,0,0) (-3z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (2/3,1/3,1/3)+ (1/3,2/3,2/3)+ 36f (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x,-y,-z;mx,my,mz) (y,-x+y,-z;-my,mx-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 18e (x,0,1/4;mx,2mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,-x,1/4;mx,-mx,mz) (-x,0,3/4;mx,2mx,mz) (0,-x,3/4;-2mx,-mx,mz) (x,x,3/4;mx,-mx,mz) 18d (1/2,0,0;mx,my,mz) (0,1/2,0;-my,mx-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (1/2,0,1/2;-mx+my,my,mz) (0,1/2,1/2;-my,-mx,mz) (1/2,1/2,1/2;mx,mx-my,mz) 12c (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 6b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 6a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 168.1.1339 P6 UNI: 168.109 P6.1 BNS: 168.109 P6 Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) 3c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 168.2.1340 P61' UNI: 168.110 P6.1' BNS: 168.110 P61' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) 3c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 168.3.1341 P6' UNI: 168.111 P6' BNS: 168.111 P6' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6d (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) 3c (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) 1a (0,0,z;0,0,0) ---------- OG: 168.4.1342 P_2c6 UNI: 168.112 P6.1'_c[P6] BNS: 168.112 P_c6 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12d (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' Wyckoff positions (BNS): 12d (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 168.5.1343 P_2c6' UNI: 173.132 P6_3.1'_c[P6] BNS: 173.132 P_c6_3 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) 6c (1/2,0,z;mx,my,0) (1/2,1/2,z+1;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (-1/2,0,z+1;-mx,-my,0) (-1/2,-1/2,z;-mx+my,-mx,0) (0,-1/2,z+1;my,-mx+my,0) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' Wyckoff positions (BNS): 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) 6c (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z+1/2;my,-mx+my,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 169.1.1344 P6_1 UNI: 169.113 P6_1.1 BNS: 169.113 P6_1 Operators: (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;mx,my,mz) (x-y,x,z+1/6;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;my,-mx+my,mz) ---------- OG: 169.2.1345 P6_11' UNI: 169.114 P6_1.1' BNS: 169.114 P6_11' Operators: (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (1|0,0,0)' (6z|0,0,1/6)' (3z|0,0,1/3)' (2z|0,0,1/2)' (3z-1|0,0,2/3)' (6z-1|0,0,5/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;0,0,0) (x-y,x,z+1/6;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z+2/3;0,0,0) (y,-x+y,z+5/6;0,0,0) ---------- OG: 169.3.1346 P6_1' UNI: 169.115 P6_1' BNS: 169.115 P6_1' Operators: (1|0,0,0) (6z|0,0,1/6)' (3z|0,0,1/3) (2z|0,0,1/2)' (3z-1|0,0,2/3) (6z-1|0,0,5/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;mx,my,mz) (x-y,x,z+1/6;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;-my,mx-my,-mz) ---------- OG: 170.1.1347 P6_5 UNI: 170.117 P6_5.1 BNS: 170.117 P6_5 Operators: (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;mx,my,mz) (x-y,x,z+5/6;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;my,-mx+my,mz) ---------- OG: 170.2.1348 P6_51' UNI: 170.118 P6_5.1' BNS: 170.118 P6_51' Operators: (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (1|0,0,0)' (6z|0,0,5/6)' (3z|0,0,2/3)' (2z|0,0,1/2)' (3z-1|0,0,1/3)' (6z-1|0,0,1/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;0,0,0) (x-y,x,z+5/6;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z+1/3;0,0,0) (y,-x+y,z+1/6;0,0,0) ---------- OG: 170.3.1349 P6_5' UNI: 170.119 P6_5' BNS: 170.119 P6_5' Operators: (1|0,0,0) (6z|0,0,5/6)' (3z|0,0,2/3) (2z|0,0,1/2)' (3z-1|0,0,1/3) (6z-1|0,0,1/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6a (x,y,z;mx,my,mz) (x-y,x,z+5/6;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;-my,mx-my,-mz) ---------- OG: 171.1.1350 P6_2 UNI: 171.121 P6_2.1 BNS: 171.121 P6_2 Operators: (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) 3b (1/2,1/2,z;0,0,mz) (0,1/2,z+1/3;0,0,mz) (1/2,0,z+2/3;0,0,mz) 3a (0,0,z;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+2/3;0,0,mz) ---------- OG: 171.2.1351 P6_21' UNI: 171.122 P6_2.1' BNS: 171.122 P6_21' Operators: (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (1|0,0,0)' (6z|0,0,1/3)' (3z|0,0,2/3)' (2z|0,0,0)' (3z-1|0,0,1/3)' (6z-1|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (x-y,x,z+1/3;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z+1/3;0,0,0) (y,-x+y,z+2/3;0,0,0) 3b (1/2,1/2,z;0,0,0) (0,1/2,z+1/3;0,0,0) (1/2,0,z+2/3;0,0,0) 3a (0,0,z;0,0,0) (0,0,z+1/3;0,0,0) (0,0,z+2/3;0,0,0) ---------- OG: 171.3.1352 P6_2' UNI: 171.123 P6_2' BNS: 171.123 P6_2' Operators: (1|0,0,0) (6z|0,0,1/3)' (3z|0,0,2/3) (2z|0,0,0)' (3z-1|0,0,1/3) (6z-1|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;-my,mx-my,-mz) 3b (1/2,1/2,z;mx,my,0) (0,1/2,z+1/3;-mx+my,-mx,0) (1/2,0,z+2/3;-my,mx-my,0) 3a (0,0,z;mx,my,0) (0,0,z+1/3;-mx+my,-mx,0) (0,0,z+2/3;-my,mx-my,0) ---------- OG: 171.4.1353 P_2c6_2 UNI: 169.116 P6_1.1'_c[P6_2] BNS: 169.116 P_c6_1 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,1) (3z-1|0,0,4/3) (6z-1|0,0,5/3) (1|0,0,1)' (6z|0,0,4/3)' (3z|0,0,5/3)' (2z|0,0,0)' (3z-1|0,0,1/3)' (6z-1|0,0,2/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (y,-x+y,z+5/3;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+4/3;-mx+my,-mx,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (y,-x+y,z+2/3;-my,mx-my,-mz) 6b (1/2,1/2,z;mx,my,0) (0,1/2,z+1/3;mx-my,mx,0) (-1/2,0,z+2/3;-my,mx-my,0) (-1/2,-1/2,z+1;-mx,-my,0) (0,-1/2,z+4/3;-mx+my,-mx,0) (1/2,0,z+5/3;my,-mx+my,0) 6a (0,0,z;mx,my,0) (0,0,z+1/3;mx-my,mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,z+1;-mx,-my,0) (0,0,z+4/3;-mx+my,-mx,0) (0,0,z+5/3;my,-mx+my,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (1|0,0,1/2)' (6z|0,0,2/3)' (3z|0,0,5/6)' (2z|0,0,0)' (3z-1|0,0,1/6)' (6z-1|0,0,1/3)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (x-y,x,z+1/6;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (y,-x+y,z+1/3;-my,mx-my,-mz) 6b (1/2,1/2,z;mx,my,0) (0,1/2,z+1/6;mx-my,mx,0) (1/2,0,z+1/3;-my,mx-my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,1/2,z+2/3;-mx+my,-mx,0) (1/2,0,z+5/6;my,-mx+my,0) 6a (0,0,z;mx,my,0) (0,0,z+1/6;mx-my,mx,0) (0,0,z+1/3;-my,mx-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+5/6;my,-mx+my,0) ---------- OG: 171.5.1354 P_2c6_2' UNI: 172.128 P6_4.1'_c[P6_2] BNS: 172.128 P_c6_4 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,4/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,4/3) (6z-1|0,0,2/3) (1|0,0,1)' (6z|0,0,1/3)' (3z|0,0,5/3)' (2z|0,0,1)' (3z-1|0,0,1/3)' (6z-1|0,0,5/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+4/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (y,-x+y,z+5/3;-my,mx-my,-mz) 6b (1/2,1/2,z;0,0,mz) (0,1/2,z+4/3;0,0,mz) (-1/2,0,z+2/3;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1/3;0,0,-mz) (-1/2,0,z+5/3;0,0,-mz) 6a (0,0,z;0,0,mz) (0,0,z+4/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,z+1/3;0,0,-mz) (0,0,z+5/3;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (1|0,0,1/2)' (6z|0,0,1/6)' (3z|0,0,5/6)' (2z|0,0,1/2)' (3z-1|0,0,1/6)' (6z-1|0,0,5/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/6;-mx+my,-mx,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (y,-x+y,z+5/6;-my,mx-my,-mz) 6b (1/2,1/2,z;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,z+1/3;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/6;0,0,-mz) (1/2,0,z+5/6;0,0,-mz) 6a (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,z+1/6;0,0,-mz) (0,0,z+5/6;0,0,-mz) ---------- OG: 172.1.1355 P6_4 UNI: 172.125 P6_4.1 BNS: 172.125 P6_4 Operators: (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) 3b (1/2,1/2,z;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,z+1/3;0,0,mz) 3a (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/3;0,0,mz) ---------- OG: 172.2.1356 P6_41' UNI: 172.126 P6_4.1' BNS: 172.126 P6_41' Operators: (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (1|0,0,0)' (6z|0,0,2/3)' (3z|0,0,1/3)' (2z|0,0,0)' (3z-1|0,0,2/3)' (6z-1|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (x-y,x,z+2/3;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z+2/3;0,0,0) (y,-x+y,z+1/3;0,0,0) 3b (1/2,1/2,z;0,0,0) (0,1/2,z+2/3;0,0,0) (1/2,0,z+1/3;0,0,0) 3a (0,0,z;0,0,0) (0,0,z+2/3;0,0,0) (0,0,z+1/3;0,0,0) ---------- OG: 172.3.1357 P6_4' UNI: 172.127 P6_4' BNS: 172.127 P6_4' Operators: (1|0,0,0) (6z|0,0,2/3)' (3z|0,0,1/3) (2z|0,0,0)' (3z-1|0,0,2/3) (6z-1|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;-my,mx-my,-mz) 3b (1/2,1/2,z;mx,my,0) (0,1/2,z+2/3;-mx+my,-mx,0) (1/2,0,z+1/3;-my,mx-my,0) 3a (0,0,z;mx,my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+1/3;-my,mx-my,0) ---------- OG: 172.4.1358 P_2c6_4 UNI: 171.124 P6_2.1'_c[P6_4] BNS: 171.124 P_c6_2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,2/3) (3z|0,0,4/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,4/3) (1|0,0,1)' (6z|0,0,5/3)' (3z|0,0,1/3)' (2z|0,0,1)' (3z-1|0,0,5/3)' (6z-1|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+4/3;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+5/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (y,-x+y,z+1/3;-my,mx-my,-mz) 6b (1/2,1/2,z;0,0,mz) (0,1/2,z+2/3;0,0,mz) (-1/2,0,z+4/3;0,0,mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+5/3;0,0,-mz) (-1/2,0,z+1/3;0,0,-mz) 6a (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+4/3;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,z+5/3;0,0,-mz) (0,0,z+1/3;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (1|0,0,1/2)' (6z|0,0,5/6)' (3z|0,0,1/6)' (2z|0,0,1/2)' (3z-1|0,0,5/6)' (6z-1|0,0,1/6)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+5/6;-mx+my,-mx,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (y,-x+y,z+1/6;-my,mx-my,-mz) 6b (1/2,1/2,z;0,0,mz) (0,1/2,z+1/3;0,0,mz) (1/2,0,z+2/3;0,0,mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+5/6;0,0,-mz) (1/2,0,z+1/6;0,0,-mz) 6a (0,0,z;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,z+5/6;0,0,-mz) (0,0,z+1/6;0,0,-mz) ---------- OG: 172.5.1359 P_2c6_4' UNI: 170.120 P6_5.1'_c[P6_4] BNS: 170.120 P_c6_5 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,5/3) (3z|0,0,4/3) (2z|0,0,1) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (1|0,0,1)' (6z|0,0,2/3)' (3z|0,0,1/3)' (2z|0,0,0)' (3z-1|0,0,5/3)' (6z-1|0,0,4/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+5/3;mx-my,mx,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (y,-x+y,z+4/3;-my,mx-my,-mz) 6b (1/2,1/2,z;mx,my,0) (0,1/2,z+5/3;mx-my,mx,0) (-1/2,0,z+4/3;-my,mx-my,0) (-1/2,-1/2,z+1;-mx,-my,0) (0,-1/2,z+2/3;-mx+my,-mx,0) (1/2,0,z+1/3;my,-mx+my,0) 6a (0,0,z;mx,my,0) (0,0,z+5/3;mx-my,mx,0) (0,0,z+4/3;-my,mx-my,0) (0,0,z+1;-mx,-my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+1/3;my,-mx+my,0) Operators (BNS): (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (1|0,0,1/2)' (6z|0,0,1/3)' (3z|0,0,1/6)' (2z|0,0,0)' (3z-1|0,0,5/6)' (6z-1|0,0,2/3)' Wyckoff positions (BNS): 12c (x,y,z;mx,my,mz) (x-y,x,z+5/6;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (y,-x+y,z+2/3;-my,mx-my,-mz) 6b (1/2,1/2,z;mx,my,0) (0,1/2,z+5/6;mx-my,mx,0) (1/2,0,z+2/3;-my,mx-my,0) (1/2,1/2,z+1/2;-mx,-my,0) (0,1/2,z+1/3;-mx+my,-mx,0) (1/2,0,z+1/6;my,-mx+my,0) 6a (0,0,z;mx,my,0) (0,0,z+5/6;mx-my,mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,z+1/3;-mx+my,-mx,0) (0,0,z+1/6;my,-mx+my,0) ---------- OG: 173.1.1360 P6_3 UNI: 173.129 P6_3.1 BNS: 173.129 P6_3 Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 173.2.1361 P6_31' UNI: 173.130 P6_3.1' BNS: 173.130 P6_31' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 173.3.1362 P6_3' UNI: 173.131 P6_3' BNS: 173.131 P6_3' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6c (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 174.1.1363 P-6 UNI: 174.133 P-6.1 BNS: 174.133 P-6 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) 3k (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) 3j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1f (2/3,1/3,1/2;0,0,mz) 1e (2/3,1/3,0;0,0,mz) 1d (1/3,2/3,1/2;0,0,mz) 1c (1/3,2/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 174.2.1364 P-61' UNI: 174.134 P-6.1' BNS: 174.134 P-61' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (-x+y,-x,-z;0,0,0) (x,y,-z;0,0,0) (-y,x-y,-z;0,0,0) 3k (x,y,1/2;0,0,0) (-y,x-y,1/2;0,0,0) (-x+y,-x,1/2;0,0,0) 3j (x,y,0;0,0,0) (-y,x-y,0;0,0,0) (-x+y,-x,0;0,0,0) 2i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 174.3.1365 P-6' UNI: 174.135 P-6' BNS: 174.135 P-6' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 6l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) 3k (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) 3j (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 174.4.1366 P_2c-6 UNI: 174.136 P-6.1'_c[P-6] BNS: 174.136 P_c-6 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (-6z|0,0,1)' (mz|0,0,1)' (-6z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (x,y,-z+1;mx,my,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) 6k (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (-x+y,-x,-1/2;mx-my,mx,0) (x,y,-1/2;-mx,-my,0) (-y,x-y,-1/2;my,-mx+my,0) 6j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,y,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) 4i (2/3,1/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,mz) (2/3,1/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,-1/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 2f (2/3,1/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) 2e (2/3,1/3,0;0,0,mz) (2/3,1/3,1;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 2c (1/3,2/3,0;0,0,mz) (1/3,2/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' Wyckoff positions (BNS): 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) 6k (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (-x+y,-x,3/4;mx-my,mx,0) (x,y,3/4;-mx,-my,0) (-y,x-y,3/4;my,-mx+my,0) 6j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,y,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2f (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2e (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2d (1/3,2/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,0;0,0,mz) (1/3,2/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 175.1.1367 P6/m UNI: 175.137 P6/m.1 BNS: 175.137 P6/m Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) 6k (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,mz) 6j (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,1/2,-z;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 3f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 175.2.1368 P6/m1' UNI: 175.138 P6/m.1' BNS: 175.138 P6/m1' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z;0,0,0) 6k (x,y,1/2;0,0,0) (x-y,x,1/2;0,0,0) (-y,x-y,1/2;0,0,0) (-x,-y,1/2;0,0,0) (-x+y,-x,1/2;0,0,0) (y,-x+y,1/2;0,0,0) 6j (x,y,0;0,0,0) (x-y,x,0;0,0,0) (-y,x-y,0;0,0,0) (-x,-y,0;0,0,0) (-x+y,-x,0;0,0,0) (y,-x+y,0;0,0,0) 6i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (1/2,1/2,-z;0,0,0) (0,1/2,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 175.3.1369 P6'/m UNI: 175.139 P6'/m BNS: 175.139 P6'/m Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (-1|0,0,0)' (-6z|0,0,0) (-3z|0,0,0)' (mz|0,0,0) (-3z-1|0,0,0)' (-6z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;my,-mx+my,mz) 6k (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,-mz) 6j (x,y,0;0,0,mz) (x-y,x,0;0,0,-mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,-mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,-mz) 6i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z;-mx,-my,0) (1/2,1/2,-z;mx-my,mx,0) (0,1/2,-z;my,-mx+my,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 175.4.1370 P6/m' UNI: 175.140 P6/m' BNS: 175.140 P6/m' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) 6k (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) 6j (x,y,0;mx,my,0) (x-y,x,0;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;my,-mx+my,0) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 175.5.1371 P6'/m' UNI: 175.141 P6'/m' BNS: 175.141 P6'/m' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (-1|0,0,0) (-6z|0,0,0)' (-3z|0,0,0) (mz|0,0,0)' (-3z-1|0,0,0) (-6z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;-my,mx-my,-mz) 6k (x,y,1/2;mx,my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;-my,mx-my,0) 6j (x,y,0;mx,my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;mx,my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;-my,mx-my,0) 6i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z;-mx+my,-mx,0) (0,1/2,-z;-my,mx-my,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;mx,my,0) (1/2,1/2,1/2;-mx+my,-mx,0) (0,1/2,1/2;-my,mx-my,0) 3f (1/2,0,0;mx,my,0) (1/2,1/2,0;-mx+my,-mx,0) (0,1/2,0;-my,mx-my,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 175.6.1372 P_2c6/m UNI: 175.142 P6/m.1'_c[P6/m] BNS: 175.142 P_c6/m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (-1|0,0,1)' (-6z|0,0,1)' (-3z|0,0,1)' (mz|0,0,1)' (-3z-1|0,0,1)' (-6z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) 12k (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (-x,-y,-1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,-1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,-1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) 12j (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x,y,1;0,0,-mz) (x-y,x,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,1;0,0,-mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (-1/2,0,-z;0,0,mz) (-1/2,-1/2,-z;0,0,mz) (0,-1/2,-z;0,0,mz) (1/2,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (-1/2,0,-z+1;0,0,-mz) (-1/2,-1/2,-z+1;0,0,-mz) (0,-1/2,-z+1;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,mz) (1/3,-1/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) 6g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 6f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1;0,0,-mz) (1/2,1/2,1;0,0,-mz) (0,1/2,1;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,-mz) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,1/3,0;0,0,mz) (1/3,2/3,1;0,0,-mz) (-1/3,1/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (-1|0,0,1/2)' (-6z|0,0,1/2)' (-3z|0,0,1/2)' (mz|0,0,1/2)' (-3z-1|0,0,1/2)' (-6z-1|0,0,1/2)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) 12k (x,y,1/4;mx,my,0) (x-y,x,1/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,1/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,1/4;my,-mx+my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,3/4;mx-my,mx,0) (y,-x+y,3/4;-my,mx-my,0) (x,y,3/4;-mx,-my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,3/4;my,-mx+my,0) 12j (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x,y,1/2;0,0,-mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) (y,-x+y,1/2;0,0,-mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) 6g (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) 6f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 4c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) (1/3,2/3,1/2;0,0,-mz) (2/3,1/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 175.7.1373 P_2c6'/m UNI: 176.148 P6_3/m.1'_c[P6/m] BNS: 176.148 P_c6_3/m OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (-1|0,0,1) (-6z|0,0,0) (-3z|0,0,1) (mz|0,0,0) (-3z-1|0,0,1) (-6z-1|0,0,0) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (-1|0,0,0)' (-6z|0,0,1)' (-3z|0,0,0)' (mz|0,0,1)' (-3z-1|0,0,0)' (-6z-1|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (-x,-y,-z+1;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z+1;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z+1;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) 12k (x,y,1/2;mx,my,0) (x-y,x,3/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,3/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,3/2;my,-mx+my,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) 12j (x,y,0;0,0,mz) (x-y,x,1;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,1;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,1;0,0,mz) (x,y,1;0,0,-mz) (x-y,x,0;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,0;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,0;0,0,-mz) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z+1;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (-1/2,0,z+1;-mx,-my,0) (-1/2,-1/2,z;-mx+my,-mx,0) (0,-1/2,z+1;my,-mx+my,0) (-1/2,0,-z+1;mx,my,0) (-1/2,-1/2,-z;mx-my,mx,0) (0,-1/2,-z+1;-my,mx-my,0) (1/2,0,-z;-mx,-my,0) (1/2,1/2,-z+1;-mx+my,-mx,0) (0,1/2,-z;my,-mx+my,0) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,-mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) 6g (1/2,0,1/2;mx,my,0) (1/2,1/2,3/2;mx-my,mx,0) (0,1/2,1/2;-my,mx-my,0) (-1/2,0,3/2;-mx,-my,0) (-1/2,-1/2,1/2;-mx+my,-mx,0) (0,-1/2,3/2;my,-mx+my,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (-1/2,-1/2,0;0,0,0) (0,-1/2,1;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,3/2;0,0,0) (-1/3,-2/3,1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,1/3,1;0,0,mz) (1/3,2/3,1;0,0,-mz) (-1/3,1/3,0;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (-1|0,0,1/2)' (-6z|0,0,0)' (-3z|0,0,1/2)' (mz|0,0,0)' (-3z-1|0,0,1/2)' (-6z-1|0,0,0)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) 12k (x,y,0;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (-x,-y,0;mx,my,0) (-x+y,-x,1/2;mx-my,mx,0) (y,-x+y,0;-my,mx-my,0) (x,y,1/2;-mx,-my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,1/2;my,-mx+my,0) 12j (x,y,3/4;0,0,mz) (x-y,x,1/4;0,0,mz) (-y,x-y,3/4;0,0,mz) (-x,-y,1/4;0,0,mz) (-x+y,-x,3/4;0,0,mz) (y,-x+y,1/4;0,0,mz) (x,y,1/4;0,0,-mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,-mz) (y,-x+y,3/4;0,0,-mz) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z+1/2;my,-mx+my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z+1/2;mx-my,mx,0) (0,1/2,-z;-my,mx-my,0) (1/2,0,-z+1/2;-mx,-my,0) (1/2,1/2,-z;-mx+my,-mx,0) (0,1/2,-z+1/2;my,-mx+my,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,-mz) 6g (1/2,0,0;mx,my,0) (1/2,1/2,1/2;mx-my,mx,0) (0,1/2,0;-my,mx-my,0) (1/2,0,1/2;-mx,-my,0) (1/2,1/2,0;-mx+my,-mx,0) (0,1/2,1/2;my,-mx+my,0) 6f (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (1/3,2/3,1/4;0,0,-mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 176.1.1374 P6_3/m UNI: 176.143 P6_3/m.1 BNS: 176.143 P6_3/m Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) 6h (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,mz) 6g (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;mx-my,mx,mz) (0,1/2,0;-my,mx-my,mz) (1/2,0,1/2;-mx,-my,mz) (1/2,1/2,0;-mx+my,-mx,mz) (0,1/2,1/2;my,-mx+my,mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 176.2.1375 P6_3/m1' UNI: 176.144 P6_3/m.1' BNS: 176.144 P6_3/m1' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z+1/2;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z+1/2;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z+1/2;0,0,0) 6h (x,y,1/4;0,0,0) (x-y,x,3/4;0,0,0) (-y,x-y,1/4;0,0,0) (-x,-y,3/4;0,0,0) (-x+y,-x,1/4;0,0,0) (y,-x+y,3/4;0,0,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 176.3.1376 P6_3'/m UNI: 176.145 P6_3'/m BNS: 176.145 P6_3'/m Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,1/2) (-3z|0,0,0)' (mz|0,0,1/2) (-3z-1|0,0,0)' (-6z-1|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;my,-mx+my,mz) 6h (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,-mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 176.4.1377 P6_3/m' UNI: 176.146 P6_3/m' BNS: 176.146 P6_3/m' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) 6h (x,y,1/4;mx,my,0) (x-y,x,3/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;my,-mx+my,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 176.5.1378 P6_3'/m' UNI: 176.147 P6_3'/m' BNS: 176.147 P6_3'/m' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (-1|0,0,0) (-6z|0,0,1/2)' (-3z|0,0,0) (mz|0,0,1/2)' (-3z-1|0,0,0) (-6z-1|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) 6h (x,y,1/4;mx,my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;-my,mx-my,0) 6g (1/2,0,0;mx,my,mz) (1/2,1/2,1/2;-mx+my,-mx,-mz) (0,1/2,0;-my,mx-my,mz) (1/2,0,1/2;mx,my,-mz) (1/2,1/2,0;-mx+my,-mx,mz) (0,1/2,1/2;-my,mx-my,-mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 177.1.1379 P622 UNI: 177.149 P622.1 BNS: 177.149 P622 Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12n (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) 6m (x,-x,1/2;mx,-mx,0) (2x,x,1/2;2mx,mx,0) (x,2x,1/2;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) 6l (x,-x,0;mx,-mx,0) (2x,x,0;2mx,mx,0) (x,2x,0;mx,2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) 6k (x,0,1/2;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,1/2;0,-mx,0) 6j (x,0,0;mx,0,0) (x,x,0;mx,mx,0) (0,x,0;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,-mx,0) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 177.2.1380 P6221' UNI: 177.150 P622.1' BNS: 177.150 P6221' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12n (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) 6m (x,-x,1/2;0,0,0) (2x,x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) 6l (x,-x,0;0,0,0) (2x,x,0;0,0,0) (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) 6k (x,0,1/2;0,0,0) (x,x,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,1/2;0,0,0) 6j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) 6i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 177.3.1381 P6'2'2 UNI: 177.151 P6'2'2 BNS: 177.151 P6'2'2 Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0) (22|0,0,0) (23|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12n (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) 6m (x,-x,1/2;mx,-mx,0) (2x,x,1/2;-2mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) 6l (x,-x,0;mx,-mx,0) (2x,x,0;-2mx,-mx,0) (x,2x,0;mx,2mx,0) (-x,x,0;mx,-mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;mx,2mx,0) 6k (x,0,1/2;mx,2mx,mz) (x,x,1/2;mx,-mx,-mz) (0,x,1/2;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,1/2;mx,-mx,mz) (0,-x,1/2;-2mx,-mx,-mz) 6j (x,0,0;mx,2mx,mz) (x,x,0;mx,-mx,-mz) (0,x,0;-2mx,-mx,mz) (-x,0,0;mx,2mx,-mz) (-x,-x,0;mx,-mx,mz) (0,-x,0;-2mx,-mx,-mz) 6i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z;-mx+my,my,0) (0,1/2,-z;-my,-mx,0) (1/2,1/2,-z;mx,mx-my,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;mx,2mx,0) (1/2,1/2,1/2;mx,-mx,0) (0,1/2,1/2;-2mx,-mx,0) 3f (1/2,0,0;mx,2mx,0) (1/2,1/2,0;mx,-mx,0) (0,1/2,0;-2mx,-mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 177.4.1382 P6'22' UNI: 177.152 P6'22' BNS: 177.152 P6'22' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12n (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) 6m (x,-x,1/2;mx,mx,mz) (2x,x,1/2;0,-mx,-mz) (x,2x,1/2;-mx,0,mz) (-x,x,1/2;mx,mx,-mz) (-2x,-x,1/2;0,-mx,mz) (-x,-2x,1/2;-mx,0,-mz) 6l (x,-x,0;mx,mx,mz) (2x,x,0;0,-mx,-mz) (x,2x,0;-mx,0,mz) (-x,x,0;mx,mx,-mz) (-2x,-x,0;0,-mx,mz) (-x,-2x,0;-mx,0,-mz) 6k (x,0,1/2;mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,1/2;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,1/2;0,mx,0) 6j (x,0,0;mx,0,0) (x,x,0;-mx,-mx,0) (0,x,0;0,mx,0) (-x,0,0;mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,mx,0) 6i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z;my,mx,0) (1/2,1/2,-z;-mx,-mx+my,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,-mx,0) (0,1/2,1/2;0,mx,0) 3f (1/2,0,0;mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,0;0,mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 177.5.1383 P62'2' UNI: 177.153 P62'2' BNS: 177.153 P62'2' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12n (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) 6m (x,-x,1/2;mx,mx,mz) (2x,x,1/2;0,mx,mz) (x,2x,1/2;-mx,0,mz) (-x,x,1/2;-mx,-mx,mz) (-2x,-x,1/2;0,-mx,mz) (-x,-2x,1/2;mx,0,mz) 6l (x,-x,0;mx,mx,mz) (2x,x,0;0,mx,mz) (x,2x,0;-mx,0,mz) (-x,x,0;-mx,-mx,mz) (-2x,-x,0;0,-mx,mz) (-x,-2x,0;mx,0,mz) 6k (x,0,1/2;mx,2mx,mz) (x,x,1/2;-mx,mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,1/2;mx,-mx,mz) (0,-x,1/2;2mx,mx,mz) 6j (x,0,0;mx,2mx,mz) (x,x,0;-mx,mx,mz) (0,x,0;-2mx,-mx,mz) (-x,0,0;-mx,-2mx,mz) (-x,-x,0;mx,-mx,mz) (0,-x,0;2mx,mx,mz) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 3f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 177.6.1384 P_2c622 UNI: 177.154 P622.1'_c[P622] BNS: 177.154 P_c622 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24n (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) 12m (x,-x,1/2;mx,mx,mz) (2x,x,1/2;0,mx,mz) (x,2x,1/2;-mx,0,mz) (-x,x,1/2;-mx,-mx,mz) (-2x,-x,1/2;0,-mx,mz) (-x,-2x,1/2;mx,0,mz) (2x,x,-1/2;0,-mx,-mz) (-x,x,-1/2;mx,mx,-mz) (-x,-2x,-1/2;-mx,0,-mz) (x,2x,-1/2;mx,0,-mz) (-2x,-x,-1/2;0,mx,-mz) (x,-x,-1/2;-mx,-mx,-mz) 12l (x,-x,0;mx,-mx,0) (2x,x,0;2mx,mx,0) (x,2x,0;mx,2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1;-mx,mx,0) (2x,x,1;-2mx,-mx,0) (x,2x,1;-mx,-2mx,0) (-x,x,1;mx,-mx,0) (-2x,-x,1;2mx,mx,0) (-x,-2x,1;mx,2mx,0) 12k (x,0,1/2;mx,2mx,mz) (x,x,1/2;-mx,mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,1/2;mx,-mx,mz) (0,-x,1/2;2mx,mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) (x,x,-1/2;mx,-mx,-mz) (-x,0,-1/2;mx,2mx,-mz) (0,-x,-1/2;-2mx,-mx,-mz) 12j (x,0,0;mx,0,0) (x,x,0;mx,mx,0) (0,x,0;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,-mx,0) (x,0,1;-mx,0,0) (x,x,1;-mx,-mx,0) (0,x,1;0,-mx,0) (-x,0,1;mx,0,0) (-x,-x,1;mx,mx,0) (0,-x,1;0,mx,0) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,0,z+1;0,0,-mz) (1/2,1/2,z+1;0,0,-mz) (0,1/2,z+1;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,1/2,-z+1;0,0,mz) (1/2,1/2,-z+1;0,0,mz) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z+1;0,0,mz) 6g (1/2,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,1/2,-1/2;0,0,-mz) (1/2,1/2,-1/2;0,0,-mz) 6f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,1;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,-z+1;0,0,mz) 4d (1/3,2/3,1/2;0,0,mz) (-1/3,1/3,1/2;0,0,mz) (-1/3,-2/3,-1/2;0,0,-mz) (1/3,-1/3,-1/2;0,0,-mz) 4c (1/3,2/3,0;0,0,0) (-1/3,1/3,0;0,0,0) (1/3,2/3,1;0,0,0) (-1/3,1/3,1;0,0,0) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' Wyckoff positions (BNS): 24n (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) 12m (x,-x,1/4;mx,mx,mz) (2x,x,1/4;0,mx,mz) (x,2x,1/4;-mx,0,mz) (-x,x,1/4;-mx,-mx,mz) (-2x,-x,1/4;0,-mx,mz) (-x,-2x,1/4;mx,0,mz) (2x,x,3/4;0,-mx,-mz) (-x,x,3/4;mx,mx,-mz) (-x,-2x,3/4;-mx,0,-mz) (x,2x,3/4;mx,0,-mz) (-2x,-x,3/4;0,mx,-mz) (x,-x,3/4;-mx,-mx,-mz) 12l (x,-x,0;mx,-mx,0) (2x,x,0;2mx,mx,0) (x,2x,0;mx,2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1/2;-mx,mx,0) (2x,x,1/2;-2mx,-mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,1/2;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) 12k (x,0,1/4;mx,2mx,mz) (x,x,1/4;-mx,mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,1/4;2mx,mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,3/4;mx,-mx,-mz) (-x,0,3/4;mx,2mx,-mz) (0,-x,3/4;-2mx,-mx,-mz) 12j (x,0,0;mx,0,0) (x,x,0;mx,mx,0) (0,x,0;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,1/2;0,-mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/2;mx,mx,0) (0,-x,1/2;0,mx,0) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) 6g (1/2,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,mz) (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) 6f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) 4d (1/3,2/3,1/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (1/3,2/3,3/4;0,0,-mz) 4c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 177.7.1385 P_2c6'22' UNI: 182.184 P6_322.1'_c[P622] BNS: 182.184 P_c6_322 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1) (22|0,0,1) (23|0,0,1) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24n (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1;mx,mx-my,-mz) (-x+y,y,-z+1;-mx+my,my,-mz) (-y,-x,-z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) 12m (x,-x,1/2;mx,-mx,0) (2x,x,3/2;2mx,mx,0) (x,2x,1/2;mx,2mx,0) (-x,x,3/2;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,3/2;-mx,-2mx,0) (x,-x,3/2;-mx,mx,0) (2x,x,1/2;-2mx,-mx,0) (x,2x,3/2;-mx,-2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,3/2;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) 12l (x,-x,0;mx,mx,mz) (2x,x,1;0,mx,mz) (x,2x,0;-mx,0,mz) (-x,x,1;-mx,-mx,mz) (-2x,-x,0;0,-mx,mz) (-x,-2x,1;mx,0,mz) (2x,x,0;0,-mx,-mz) (-x,x,0;mx,mx,-mz) (-x,-2x,0;-mx,0,-mz) (x,2x,1;mx,0,-mz) (-2x,-x,1;0,mx,-mz) (x,-x,1;-mx,-mx,-mz) 12k (x,0,1/2;mx,2mx,mz) (x,x,3/2;-mx,mx,mz) (0,x,1/2;-2mx,-mx,mz) (-x,0,3/2;-mx,-2mx,mz) (-x,-x,1/2;mx,-mx,mz) (0,-x,3/2;2mx,mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,-1/2;2mx,mx,-mz) (-x,-x,-1/2;-mx,mx,-mz) (x,x,1/2;mx,-mx,-mz) (-x,0,1/2;mx,2mx,-mz) (0,-x,1/2;-2mx,-mx,-mz) 12j (x,0,0;mx,0,0) (x,x,1;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1;0,-mx,0) (x,0,1;-mx,0,0) (x,x,0;-mx,-mx,0) (0,x,1;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1;mx,mx,0) (0,-x,0;0,mx,0) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z+1;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (-1/2,0,z+1;-mx,-my,0) (-1/2,-1/2,z;-mx+my,-mx,0) (0,-1/2,z+1;my,-mx+my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z;my,mx,0) (-1/2,-1/2,-z;-mx,-mx+my,0) (1/2,1/2,-z+1;mx,mx-my,0) (-1/2,0,-z+1;-mx+my,my,0) (0,-1/2,-z+1;-my,-mx,0) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z;0,0,mz) 6g (1/2,0,1/2;mx,2mx,0) (1/2,1/2,3/2;-mx,mx,0) (0,1/2,1/2;-2mx,-mx,0) (-1/2,0,3/2;-mx,-2mx,0) (-1/2,-1/2,1/2;mx,-mx,0) (0,-1/2,3/2;2mx,mx,0) 6f (1/2,0,0;mx,0,0) (1/2,1/2,1;mx,mx,0) (0,1/2,0;0,mx,0) (-1/2,0,1;-mx,0,0) (-1/2,-1/2,0;-mx,-mx,0) (0,-1/2,1;0,-mx,0) 4e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,3/2;0,0,0) (1/3,2/3,3/2;0,0,0) (-1/3,1/3,1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,1/3,1;0,0,mz) (-1/3,-2/3,0;0,0,-mz) (1/3,-1/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' Wyckoff positions (BNS): 24n (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) 12m (x,-x,1/4;mx,-mx,0) (2x,x,3/4;2mx,mx,0) (x,2x,1/4;mx,2mx,0) (-x,x,3/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,3/4;-mx,mx,0) (2x,x,1/4;-2mx,-mx,0) (x,2x,3/4;-mx,-2mx,0) (-x,x,1/4;mx,-mx,0) (-2x,-x,3/4;2mx,mx,0) (-x,-2x,1/4;mx,2mx,0) 12l (x,-x,0;mx,mx,mz) (2x,x,1/2;0,mx,mz) (x,2x,0;-mx,0,mz) (-x,x,1/2;-mx,-mx,mz) (-2x,-x,0;0,-mx,mz) (-x,-2x,1/2;mx,0,mz) (2x,x,0;0,-mx,-mz) (-x,x,0;mx,mx,-mz) (-x,-2x,0;-mx,0,-mz) (x,2x,1/2;mx,0,-mz) (-2x,-x,1/2;0,mx,-mz) (x,-x,1/2;-mx,-mx,-mz) 12k (x,0,1/4;mx,2mx,mz) (x,x,3/4;-mx,mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,3/4;-mx,-2mx,mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,3/4;2mx,mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,3/4;2mx,mx,-mz) (-x,-x,3/4;-mx,mx,-mz) (x,x,1/4;mx,-mx,-mz) (-x,0,1/4;mx,2mx,-mz) (0,-x,1/4;-2mx,-mx,-mz) 12j (x,0,0;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,0;-mx,-mx,0) (0,x,1/2;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1/2;mx,mx,0) (0,-x,0;0,mx,0) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z+1/2;mx-my,mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z+1/2;my,-mx+my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z;my,mx,0) (1/2,1/2,-z;-mx,-mx+my,0) (1/2,1/2,-z+1/2;mx,mx-my,0) (1/2,0,-z+1/2;-mx+my,my,0) (0,1/2,-z+1/2;-my,-mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,mz) 6g (1/2,0,1/4;mx,2mx,0) (1/2,1/2,3/4;-mx,mx,0) (0,1/2,1/4;-2mx,-mx,0) (1/2,0,3/4;-mx,-2mx,0) (1/2,1/2,1/4;mx,-mx,0) (0,1/2,3/4;2mx,mx,0) 6f (1/2,0,0;mx,0,0) (1/2,1/2,1/2;mx,mx,0) (0,1/2,0;0,mx,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,1/2;0,-mx,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 4c (1/3,2/3,0;0,0,mz) (2/3,1/3,1/2;0,0,mz) (2/3,1/3,0;0,0,-mz) (1/3,2/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 178.1.1386 P6_122 UNI: 178.155 P6_122.1 BNS: 178.155 P6_122 Operators: (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,1/6) (22|0,0,1/2) (23|0,0,5/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+1/6;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+1/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+5/6;-my,-mx,-mz) 6b (x,2x,1/4;mx,2mx,0) (-x,x,5/12;-mx,mx,0) (-2x,-x,7/12;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,11/12;mx,-mx,0) (2x,x,1/12;2mx,mx,0) 6a (x,0,0;mx,0,0) (x,x,1/6;mx,mx,0) (0,x,1/3;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,5/6;0,-mx,0) ---------- OG: 178.2.1387 P6_1221' UNI: 178.156 P6_122.1' BNS: 178.156 P6_1221' Operators: (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,1/6) (22|0,0,1/2) (23|0,0,5/6) (1|0,0,0)' (6z|0,0,1/6)' (3z|0,0,1/3)' (2z|0,0,1/2)' (3z-1|0,0,2/3)' (6z-1|0,0,5/6)' (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,1/6)' (22|0,0,1/2)' (23|0,0,5/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;0,0,0) (x-y,x,z+1/6;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z+2/3;0,0,0) (y,-x+y,z+5/6;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z+1/3;0,0,0) (-x,-x+y,-z+2/3;0,0,0) (x,x-y,-z+1/6;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+5/6;0,0,0) 6b (x,2x,1/4;0,0,0) (-x,x,5/12;0,0,0) (-2x,-x,7/12;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,11/12;0,0,0) (2x,x,1/12;0,0,0) 6a (x,0,0;0,0,0) (x,x,1/6;0,0,0) (0,x,1/3;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,2/3;0,0,0) (0,-x,5/6;0,0,0) ---------- OG: 178.3.1388 P6_1'2'2 UNI: 178.157 P6_1'2'2 BNS: 178.157 P6_1'2'2 Operators: (1|0,0,0) (6z|0,0,1/6)' (3z|0,0,1/3) (2z|0,0,1/2)' (3z-1|0,0,2/3) (6z-1|0,0,5/6)' (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,1/6) (22|0,0,1/2) (23|0,0,5/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+1/6;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+1/3;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) (x,x-y,-z+1/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+5/6;-my,-mx,-mz) 6b (x,2x,1/4;mx,2mx,0) (-x,x,5/12;mx,-mx,0) (-2x,-x,7/12;-2mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,11/12;mx,-mx,0) (2x,x,1/12;-2mx,-mx,0) 6a (x,0,0;mx,2mx,mz) (x,x,1/6;mx,-mx,-mz) (0,x,1/3;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,2/3;mx,-mx,mz) (0,-x,5/6;-2mx,-mx,-mz) ---------- OG: 178.4.1389 P6_1'22' UNI: 178.158 P6_1'22' BNS: 178.158 P6_1'22' Operators: (1|0,0,0) (6z|0,0,1/6)' (3z|0,0,1/3) (2z|0,0,1/2)' (3z-1|0,0,2/3) (6z-1|0,0,5/6)' (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,1/6)' (22|0,0,1/2)' (23|0,0,5/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+1/6;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+1/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+5/6;my,mx,mz) 6b (x,2x,1/4;mx,0,mz) (-x,x,5/12;-mx,-mx,-mz) (-2x,-x,7/12;0,mx,mz) (-x,-2x,3/4;mx,0,-mz) (x,-x,11/12;-mx,-mx,mz) (2x,x,1/12;0,mx,-mz) 6a (x,0,0;mx,0,0) (x,x,1/6;-mx,-mx,0) (0,x,1/3;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,5/6;0,mx,0) ---------- OG: 178.5.1390 P6_12'2' UNI: 178.159 P6_12'2' BNS: 178.159 P6_12'2' Operators: (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,1/6)' (22|0,0,1/2)' (23|0,0,5/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+1/6;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+1/3;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) (x,x-y,-z+1/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+5/6;my,mx,mz) 6b (x,2x,1/4;mx,0,mz) (-x,x,5/12;mx,mx,mz) (-2x,-x,7/12;0,mx,mz) (-x,-2x,3/4;-mx,0,mz) (x,-x,11/12;-mx,-mx,mz) (2x,x,1/12;0,-mx,mz) 6a (x,0,0;mx,2mx,mz) (x,x,1/6;-mx,mx,mz) (0,x,1/3;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,2/3;mx,-mx,mz) (0,-x,5/6;2mx,mx,mz) ---------- OG: 179.1.1391 P6_522 UNI: 179.161 P6_522.1 BNS: 179.161 P6_522 Operators: (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,5/6) (22|0,0,1/2) (23|0,0,1/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+5/6;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+5/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/6;-my,-mx,-mz) 6b (x,2x,3/4;mx,2mx,0) (-x,x,7/12;-mx,mx,0) (-2x,-x,5/12;-2mx,-mx,0) (-x,-2x,1/4;-mx,-2mx,0) (x,-x,1/12;mx,-mx,0) (2x,x,11/12;2mx,mx,0) 6a (x,0,0;mx,0,0) (x,x,5/6;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,1/6;0,-mx,0) ---------- OG: 179.2.1392 P6_5221' UNI: 179.162 P6_522.1' BNS: 179.162 P6_5221' Operators: (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,5/6) (22|0,0,1/2) (23|0,0,1/6) (1|0,0,0)' (6z|0,0,5/6)' (3z|0,0,2/3)' (2z|0,0,1/2)' (3z-1|0,0,1/3)' (6z-1|0,0,1/6)' (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,5/6)' (22|0,0,1/2)' (23|0,0,1/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;0,0,0) (x-y,x,z+5/6;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z+1/3;0,0,0) (y,-x+y,z+1/6;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z+2/3;0,0,0) (-x,-x+y,-z+1/3;0,0,0) (x,x-y,-z+5/6;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+1/6;0,0,0) 6b (x,2x,3/4;0,0,0) (-x,x,7/12;0,0,0) (-2x,-x,5/12;0,0,0) (-x,-2x,1/4;0,0,0) (x,-x,1/12;0,0,0) (2x,x,11/12;0,0,0) 6a (x,0,0;0,0,0) (x,x,5/6;0,0,0) (0,x,2/3;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/3;0,0,0) (0,-x,1/6;0,0,0) ---------- OG: 179.3.1393 P6_5'2'2 UNI: 179.163 P6_5'2'2 BNS: 179.163 P6_5'2'2 Operators: (1|0,0,0) (6z|0,0,5/6)' (3z|0,0,2/3) (2z|0,0,1/2)' (3z-1|0,0,1/3) (6z-1|0,0,1/6)' (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,5/6) (22|0,0,1/2) (23|0,0,1/6) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+5/6;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+2/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+5/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/6;-my,-mx,-mz) 6b (x,2x,3/4;mx,2mx,0) (-x,x,7/12;mx,-mx,0) (-2x,-x,5/12;-2mx,-mx,0) (-x,-2x,1/4;mx,2mx,0) (x,-x,1/12;mx,-mx,0) (2x,x,11/12;-2mx,-mx,0) 6a (x,0,0;mx,2mx,mz) (x,x,5/6;mx,-mx,-mz) (0,x,2/3;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,1/3;mx,-mx,mz) (0,-x,1/6;-2mx,-mx,-mz) ---------- OG: 179.4.1394 P6_5'22' UNI: 179.164 P6_5'22' BNS: 179.164 P6_5'22' Operators: (1|0,0,0) (6z|0,0,5/6)' (3z|0,0,2/3) (2z|0,0,1/2)' (3z-1|0,0,1/3) (6z-1|0,0,1/6)' (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,5/6)' (22|0,0,1/2)' (23|0,0,1/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+5/6;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+5/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/6;my,mx,mz) 6b (x,2x,3/4;mx,0,mz) (-x,x,7/12;-mx,-mx,-mz) (-2x,-x,5/12;0,mx,mz) (-x,-2x,1/4;mx,0,-mz) (x,-x,1/12;-mx,-mx,mz) (2x,x,11/12;0,mx,-mz) 6a (x,0,0;mx,0,0) (x,x,5/6;-mx,-mx,0) (0,x,2/3;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,1/6;0,mx,0) ---------- OG: 179.5.1395 P6_52'2' UNI: 179.165 P6_52'2' BNS: 179.165 P6_52'2' Operators: (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,5/6)' (22|0,0,1/2)' (23|0,0,1/6)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12c (x,y,z;mx,my,mz) (x-y,x,z+5/6;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+2/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+5/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/6;my,mx,mz) 6b (x,2x,3/4;mx,0,mz) (-x,x,7/12;mx,mx,mz) (-2x,-x,5/12;0,mx,mz) (-x,-2x,1/4;-mx,0,mz) (x,-x,1/12;-mx,-mx,mz) (2x,x,11/12;0,-mx,mz) 6a (x,0,0;mx,2mx,mz) (x,x,5/6;-mx,mx,mz) (0,x,2/3;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,1/3;mx,-mx,mz) (0,-x,1/6;2mx,mx,mz) ---------- OG: 180.1.1396 P6_222 UNI: 180.167 P6_222.1 BNS: 180.167 P6_222 Operators: (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,1/3) (22|0,0,0) (23|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+1/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) 6j (x,2x,1/2;mx,2mx,0) (-x,x,5/6;-mx,mx,0) (-2x,-x,1/6;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,5/6;mx,-mx,0) (2x,x,1/6;2mx,mx,0) 6i (x,2x,0;mx,2mx,0) (-x,x,1/3;-mx,mx,0) (-2x,-x,2/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1/3;mx,-mx,0) (2x,x,2/3;2mx,mx,0) 6h (x,0,1/2;mx,0,0) (x,x,5/6;mx,mx,0) (0,x,1/6;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,5/6;-mx,-mx,0) (0,-x,1/6;0,-mx,0) 6g (x,0,0;mx,0,0) (x,x,1/3;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,2/3;0,-mx,0) 6f (1/2,0,z;0,0,mz) (1/2,1/2,z+1/3;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+2/3;0,0,-mz) (1/2,1/2,-z+1/3;0,0,-mz) 6e (0,0,z;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+2/3;0,0,-mz) (0,0,-z+1/3;0,0,-mz) 3d (1/2,0,1/2;0,0,0) (1/2,1/2,5/6;0,0,0) (0,1/2,1/6;0,0,0) 3c (1/2,0,0;0,0,0) (1/2,1/2,1/3;0,0,0) (0,1/2,2/3;0,0,0) 3b (0,0,1/2;0,0,0) (0,0,5/6;0,0,0) (0,0,1/6;0,0,0) 3a (0,0,0;0,0,0) (0,0,1/3;0,0,0) (0,0,2/3;0,0,0) ---------- OG: 180.2.1397 P6_2221' UNI: 180.168 P6_222.1' BNS: 180.168 P6_2221' Operators: (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,1/3) (22|0,0,0) (23|0,0,2/3) (1|0,0,0)' (6z|0,0,1/3)' (3z|0,0,2/3)' (2z|0,0,0)' (3z-1|0,0,1/3)' (6z-1|0,0,2/3)' (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,1/3)' (22|0,0,0)' (23|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;0,0,0) (x-y,x,z+1/3;0,0,0) (-y,x-y,z+2/3;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z+1/3;0,0,0) (y,-x+y,z+2/3;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z+2/3;0,0,0) (-x,-x+y,-z+1/3;0,0,0) (x,x-y,-z+1/3;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z+2/3;0,0,0) 6j (x,2x,1/2;0,0,0) (-x,x,5/6;0,0,0) (-2x,-x,1/6;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,5/6;0,0,0) (2x,x,1/6;0,0,0) 6i (x,2x,0;0,0,0) (-x,x,1/3;0,0,0) (-2x,-x,2/3;0,0,0) (-x,-2x,0;0,0,0) (x,-x,1/3;0,0,0) (2x,x,2/3;0,0,0) 6h (x,0,1/2;0,0,0) (x,x,5/6;0,0,0) (0,x,1/6;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,5/6;0,0,0) (0,-x,1/6;0,0,0) 6g (x,0,0;0,0,0) (x,x,1/3;0,0,0) (0,x,2/3;0,0,0) (-x,0,0;0,0,0) (-x,-x,1/3;0,0,0) (0,-x,2/3;0,0,0) 6f (1/2,0,z;0,0,0) (1/2,1/2,z+1/3;0,0,0) (0,1/2,z+2/3;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+2/3;0,0,0) (1/2,1/2,-z+1/3;0,0,0) 6e (0,0,z;0,0,0) (0,0,z+1/3;0,0,0) (0,0,z+2/3;0,0,0) (0,0,-z;0,0,0) (0,0,-z+2/3;0,0,0) (0,0,-z+1/3;0,0,0) 3d (1/2,0,1/2;0,0,0) (1/2,1/2,5/6;0,0,0) (0,1/2,1/6;0,0,0) 3c (1/2,0,0;0,0,0) (1/2,1/2,1/3;0,0,0) (0,1/2,2/3;0,0,0) 3b (0,0,1/2;0,0,0) (0,0,5/6;0,0,0) (0,0,1/6;0,0,0) 3a (0,0,0;0,0,0) (0,0,1/3;0,0,0) (0,0,2/3;0,0,0) ---------- OG: 180.3.1398 P6_2'2'2 UNI: 180.169 P6_2'2'2 BNS: 180.169 P6_2'2'2 Operators: (1|0,0,0) (6z|0,0,1/3)' (3z|0,0,2/3) (2z|0,0,0)' (3z-1|0,0,1/3) (6z-1|0,0,2/3)' (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,1/3) (22|0,0,0) (23|0,0,2/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+2/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+1/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) 6j (x,2x,1/2;mx,2mx,0) (-x,x,5/6;mx,-mx,0) (-2x,-x,1/6;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,5/6;mx,-mx,0) (2x,x,1/6;-2mx,-mx,0) 6i (x,2x,0;mx,2mx,0) (-x,x,1/3;mx,-mx,0) (-2x,-x,2/3;-2mx,-mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,1/3;mx,-mx,0) (2x,x,2/3;-2mx,-mx,0) 6h (x,0,1/2;mx,2mx,mz) (x,x,5/6;mx,-mx,-mz) (0,x,1/6;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,5/6;mx,-mx,mz) (0,-x,1/6;-2mx,-mx,-mz) 6g (x,0,0;mx,2mx,mz) (x,x,1/3;mx,-mx,-mz) (0,x,2/3;-2mx,-mx,mz) (-x,0,0;mx,2mx,-mz) (-x,-x,1/3;mx,-mx,mz) (0,-x,2/3;-2mx,-mx,-mz) 6f (1/2,0,z;mx,my,0) (1/2,1/2,z+1/3;-mx+my,-mx,0) (0,1/2,z+2/3;-my,mx-my,0) (1/2,0,-z;-mx+my,my,0) (0,1/2,-z+2/3;-my,-mx,0) (1/2,1/2,-z+1/3;mx,mx-my,0) 6e (0,0,z;mx,my,0) (0,0,z+1/3;-mx+my,-mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,-z;-mx+my,my,0) (0,0,-z+2/3;-my,-mx,0) (0,0,-z+1/3;mx,mx-my,0) 3d (1/2,0,1/2;mx,2mx,0) (1/2,1/2,5/6;mx,-mx,0) (0,1/2,1/6;-2mx,-mx,0) 3c (1/2,0,0;mx,2mx,0) (1/2,1/2,1/3;mx,-mx,0) (0,1/2,2/3;-2mx,-mx,0) 3b (0,0,1/2;mx,2mx,0) (0,0,5/6;mx,-mx,0) (0,0,1/6;-2mx,-mx,0) 3a (0,0,0;mx,2mx,0) (0,0,1/3;mx,-mx,0) (0,0,2/3;-2mx,-mx,0) ---------- OG: 180.4.1399 P6_2'22' UNI: 180.170 P6_2'22' BNS: 180.170 P6_2'22' Operators: (1|0,0,0) (6z|0,0,1/3)' (3z|0,0,2/3) (2z|0,0,0)' (3z-1|0,0,1/3) (6z-1|0,0,2/3)' (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,1/3)' (22|0,0,0)' (23|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+1/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+2/3;my,mx,mz) 6j (x,2x,1/2;mx,0,mz) (-x,x,5/6;-mx,-mx,-mz) (-2x,-x,1/6;0,mx,mz) (-x,-2x,1/2;mx,0,-mz) (x,-x,5/6;-mx,-mx,mz) (2x,x,1/6;0,mx,-mz) 6i (x,2x,0;mx,0,mz) (-x,x,1/3;-mx,-mx,-mz) (-2x,-x,2/3;0,mx,mz) (-x,-2x,0;mx,0,-mz) (x,-x,1/3;-mx,-mx,mz) (2x,x,2/3;0,mx,-mz) 6h (x,0,1/2;mx,0,0) (x,x,5/6;-mx,-mx,0) (0,x,1/6;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,5/6;-mx,-mx,0) (0,-x,1/6;0,mx,0) 6g (x,0,0;mx,0,0) (x,x,1/3;-mx,-mx,0) (0,x,2/3;0,mx,0) (-x,0,0;mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,2/3;0,mx,0) 6f (1/2,0,z;mx,my,0) (1/2,1/2,z+1/3;-mx+my,-mx,0) (0,1/2,z+2/3;-my,mx-my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z+2/3;my,mx,0) (1/2,1/2,-z+1/3;-mx,-mx+my,0) 6e (0,0,z;mx,my,0) (0,0,z+1/3;-mx+my,-mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,-z;mx-my,-my,0) (0,0,-z+2/3;my,mx,0) (0,0,-z+1/3;-mx,-mx+my,0) 3d (1/2,0,1/2;mx,0,0) (1/2,1/2,5/6;-mx,-mx,0) (0,1/2,1/6;0,mx,0) 3c (1/2,0,0;mx,0,0) (1/2,1/2,1/3;-mx,-mx,0) (0,1/2,2/3;0,mx,0) 3b (0,0,1/2;mx,0,0) (0,0,5/6;-mx,-mx,0) (0,0,1/6;0,mx,0) 3a (0,0,0;mx,0,0) (0,0,1/3;-mx,-mx,0) (0,0,2/3;0,mx,0) ---------- OG: 180.5.1400 P6_22'2' UNI: 180.171 P6_22'2' BNS: 180.171 P6_22'2' Operators: (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (2x|0,0,0)' (2xy|0,0,2/3)' (2y|0,0,1/3)' (21|0,0,1/3)' (22|0,0,0)' (23|0,0,2/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+2/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+1/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+2/3;my,mx,mz) 6j (x,2x,1/2;mx,0,mz) (-x,x,5/6;mx,mx,mz) (-2x,-x,1/6;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,5/6;-mx,-mx,mz) (2x,x,1/6;0,-mx,mz) 6i (x,2x,0;mx,0,mz) (-x,x,1/3;mx,mx,mz) (-2x,-x,2/3;0,mx,mz) (-x,-2x,0;-mx,0,mz) (x,-x,1/3;-mx,-mx,mz) (2x,x,2/3;0,-mx,mz) 6h (x,0,1/2;mx,2mx,mz) (x,x,5/6;-mx,mx,mz) (0,x,1/6;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,5/6;mx,-mx,mz) (0,-x,1/6;2mx,mx,mz) 6g (x,0,0;mx,2mx,mz) (x,x,1/3;-mx,mx,mz) (0,x,2/3;-2mx,-mx,mz) (-x,0,0;-mx,-2mx,mz) (-x,-x,1/3;mx,-mx,mz) (0,-x,2/3;2mx,mx,mz) 6f (1/2,0,z;0,0,mz) (1/2,1/2,z+1/3;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+2/3;0,0,mz) (1/2,1/2,-z+1/3;0,0,mz) 6e (0,0,z;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+2/3;0,0,mz) (0,0,-z+1/3;0,0,mz) 3d (1/2,0,1/2;0,0,mz) (1/2,1/2,5/6;0,0,mz) (0,1/2,1/6;0,0,mz) 3c (1/2,0,0;0,0,mz) (1/2,1/2,1/3;0,0,mz) (0,1/2,2/3;0,0,mz) 3b (0,0,1/2;0,0,mz) (0,0,5/6;0,0,mz) (0,0,1/6;0,0,mz) 3a (0,0,0;0,0,mz) (0,0,1/3;0,0,mz) (0,0,2/3;0,0,mz) ---------- OG: 180.6.1401 P_2c6_222' UNI: 178.160 P6_122.1'_c[P6_222] BNS: 178.160 P_c6_122 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,1) (3z-1|0,0,4/3) (6z-1|0,0,5/3) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,4/3) (21|0,0,1/3) (22|0,0,1) (23|0,0,5/3) (1|0,0,1)' (6z|0,0,4/3)' (3z|0,0,5/3)' (2z|0,0,0)' (3z-1|0,0,1/3)' (6z-1|0,0,2/3)' (2x|0,0,1)' (2xy|0,0,5/3)' (2y|0,0,1/3)' (21|0,0,4/3)' (22|0,0,0)' (23|0,0,2/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24k (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (y,-x+y,z+5/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+4/3;-mx,-mx+my,-mz) (x,x-y,-z+1/3;mx,mx-my,-mz) (-x+y,y,-z+1;-mx+my,my,-mz) (-y,-x,-z+5/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+4/3;-mx+my,-mx,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (y,-x+y,z+2/3;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+5/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+4/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+2/3;my,mx,mz) 12j (x,2x,1/2;mx,2mx,0) (-x,x,5/6;-mx,mx,0) (-2x,-x,7/6;-2mx,-mx,0) (-x,-2x,3/2;-mx,-2mx,0) (x,-x,11/6;mx,-mx,0) (2x,x,13/6;2mx,mx,0) (x,2x,3/2;-mx,-2mx,0) (-x,x,11/6;mx,-mx,0) (-2x,-x,13/6;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,5/6;-mx,mx,0) (2x,x,7/6;-2mx,-mx,0) 12i (x,2x,0;mx,0,mz) (-x,x,1/3;mx,mx,mz) (-2x,-x,2/3;0,mx,mz) (-x,-2x,1;-mx,0,mz) (x,-x,4/3;-mx,-mx,mz) (2x,x,5/3;0,-mx,mz) (-x,-2x,0;mx,0,-mz) (2x,x,2/3;0,mx,-mz) (-x,x,4/3;-mx,-mx,-mz) (x,-x,1/3;mx,mx,-mz) (x,2x,1;-mx,0,-mz) (-2x,-x,5/3;0,-mx,-mz) 12h (x,0,1/2;mx,2mx,mz) (x,x,5/6;-mx,mx,mz) (0,x,7/6;-2mx,-mx,mz) (-x,0,3/2;-mx,-2mx,mz) (-x,-x,11/6;mx,-mx,mz) (0,-x,13/6;2mx,mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,1/6;2mx,mx,-mz) (-x,-x,5/6;-mx,mx,-mz) (x,x,-1/6;mx,-mx,-mz) (-x,0,1/2;mx,2mx,-mz) (0,-x,7/6;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,1/3;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,1;-mx,0,0) (-x,-x,4/3;-mx,-mx,0) (0,-x,5/3;0,-mx,0) (x,0,1;-mx,0,0) (x,x,4/3;-mx,-mx,0) (0,x,5/3;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1/3;mx,mx,0) (0,-x,2/3;0,mx,0) 12f (1/2,0,z;mx,my,0) (1/2,1/2,z+1/3;mx-my,mx,0) (0,1/2,z+2/3;-my,mx-my,0) (-1/2,0,z+1;-mx,-my,0) (-1/2,-1/2,z+4/3;-mx+my,-mx,0) (0,-1/2,z+5/3;my,-mx+my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z+2/3;my,mx,0) (-1/2,-1/2,-z+4/3;-mx,-mx+my,0) (1/2,1/2,-z+1/3;mx,mx-my,0) (-1/2,0,-z+1;-mx+my,my,0) (0,-1/2,-z+5/3;-my,-mx,0) 12e (0,0,z;mx,my,0) (0,0,z+1/3;mx-my,mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,z+1;-mx,-my,0) (0,0,z+4/3;-mx+my,-mx,0) (0,0,z+5/3;my,-mx+my,0) (0,0,-z;mx-my,-my,0) (0,0,-z+2/3;my,mx,0) (0,0,-z+4/3;-mx,-mx+my,0) (0,0,-z+1/3;mx,mx-my,0) (0,0,-z+1;-mx+my,my,0) (0,0,-z+5/3;-my,-mx,0) 6d (1/2,0,1/2;mx,2mx,0) (1/2,1/2,5/6;-mx,mx,0) (0,1/2,7/6;-2mx,-mx,0) (-1/2,0,3/2;-mx,-2mx,0) (-1/2,-1/2,11/6;mx,-mx,0) (0,-1/2,13/6;2mx,mx,0) 6c (1/2,0,0;mx,0,0) (1/2,1/2,1/3;mx,mx,0) (0,1/2,2/3;0,mx,0) (-1/2,0,1;-mx,0,0) (-1/2,-1/2,4/3;-mx,-mx,0) (0,-1/2,5/3;0,-mx,0) 6b (0,0,1/2;mx,2mx,0) (0,0,5/6;-mx,mx,0) (0,0,7/6;-2mx,-mx,0) (0,0,3/2;-mx,-2mx,0) (0,0,11/6;mx,-mx,0) (0,0,13/6;2mx,mx,0) 6a (0,0,0;mx,0,0) (0,0,1/3;mx,mx,0) (0,0,2/3;0,mx,0) (0,0,1;-mx,0,0) (0,0,4/3;-mx,-mx,0) (0,0,5/3;0,-mx,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/6) (3z|0,0,1/3) (2z|0,0,1/2) (3z-1|0,0,2/3) (6z-1|0,0,5/6) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,1/6) (22|0,0,1/2) (23|0,0,5/6) (1|0,0,1/2)' (6z|0,0,2/3)' (3z|0,0,5/6)' (2z|0,0,0)' (3z-1|0,0,1/6)' (6z-1|0,0,1/3)' (2x|0,0,1/2)' (2xy|0,0,5/6)' (2y|0,0,1/6)' (21|0,0,2/3)' (22|0,0,0)' (23|0,0,1/3)' Wyckoff positions (BNS): 24k (x,y,z;mx,my,mz) (x-y,x,z+1/6;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+5/6;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+1/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+5/6;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (y,-x+y,z+1/3;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+5/6;-my,-mx,mz) (-x,-x+y,-z+1/6;mx,mx-my,mz) (x,x-y,-z+2/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 12j (x,2x,1/4;mx,2mx,0) (-x,x,5/12;-mx,mx,0) (-2x,-x,7/12;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,11/12;mx,-mx,0) (2x,x,1/12;2mx,mx,0) (x,2x,3/4;-mx,-2mx,0) (-x,x,11/12;mx,-mx,0) (-2x,-x,1/12;2mx,mx,0) (-x,-2x,1/4;mx,2mx,0) (x,-x,5/12;-mx,mx,0) (2x,x,7/12;-2mx,-mx,0) 12i (x,2x,0;mx,0,mz) (-x,x,1/6;mx,mx,mz) (-2x,-x,1/3;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,2/3;-mx,-mx,mz) (2x,x,5/6;0,-mx,mz) (-x,-2x,0;mx,0,-mz) (2x,x,1/3;0,mx,-mz) (-x,x,2/3;-mx,-mx,-mz) (x,-x,1/6;mx,mx,-mz) (x,2x,1/2;-mx,0,-mz) (-2x,-x,5/6;0,-mx,-mz) 12h (x,0,1/4;mx,2mx,mz) (x,x,5/12;-mx,mx,mz) (0,x,7/12;-2mx,-mx,mz) (-x,0,3/4;-mx,-2mx,mz) (-x,-x,11/12;mx,-mx,mz) (0,-x,1/12;2mx,mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,1/12;2mx,mx,-mz) (-x,-x,5/12;-mx,mx,-mz) (x,x,11/12;mx,-mx,-mz) (-x,0,1/4;mx,2mx,-mz) (0,-x,7/12;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,1/6;mx,mx,0) (0,x,1/3;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,5/6;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,2/3;-mx,-mx,0) (0,x,5/6;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1/6;mx,mx,0) (0,-x,1/3;0,mx,0) 12f (1/2,0,z;mx,my,0) (1/2,1/2,z+1/6;mx-my,mx,0) (0,1/2,z+1/3;-my,mx-my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,z+2/3;-mx+my,-mx,0) (0,1/2,z+5/6;my,-mx+my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z+1/3;my,mx,0) (1/2,1/2,-z+2/3;-mx,-mx+my,0) (1/2,1/2,-z+1/6;mx,mx-my,0) (1/2,0,-z+1/2;-mx+my,my,0) (0,1/2,-z+5/6;-my,-mx,0) 12e (0,0,z;mx,my,0) (0,0,z+1/6;mx-my,mx,0) (0,0,z+1/3;-my,mx-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+5/6;my,-mx+my,0) (0,0,-z;mx-my,-my,0) (0,0,-z+1/3;my,mx,0) (0,0,-z+2/3;-mx,-mx+my,0) (0,0,-z+1/6;mx,mx-my,0) (0,0,-z+1/2;-mx+my,my,0) (0,0,-z+5/6;-my,-mx,0) 6d (1/2,0,1/4;mx,2mx,0) (1/2,1/2,5/12;-mx,mx,0) (0,1/2,7/12;-2mx,-mx,0) (1/2,0,3/4;-mx,-2mx,0) (1/2,1/2,11/12;mx,-mx,0) (0,1/2,1/12;2mx,mx,0) 6c (1/2,0,0;mx,0,0) (1/2,1/2,1/6;mx,mx,0) (0,1/2,1/3;0,mx,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,2/3;-mx,-mx,0) (0,1/2,5/6;0,-mx,0) 6b (0,0,1/4;mx,2mx,0) (0,0,5/12;-mx,mx,0) (0,0,7/12;-2mx,-mx,0) (0,0,3/4;-mx,-2mx,0) (0,0,11/12;mx,-mx,0) (0,0,1/12;2mx,mx,0) 6a (0,0,0;mx,0,0) (0,0,1/6;mx,mx,0) (0,0,1/3;0,mx,0) (0,0,1/2;-mx,0,0) (0,0,2/3;-mx,-mx,0) (0,0,5/6;0,-mx,0) ---------- OG: 180.7.1402 P_2c6_2'22 UNI: 181.178 P6_422.1'_c[P6_222] BNS: 181.178 P_c6_422 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,4/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,4/3) (6z-1|0,0,2/3) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,4/3) (21|0,0,4/3) (22|0,0,0) (23|0,0,2/3) (1|0,0,1)' (6z|0,0,1/3)' (3z|0,0,5/3)' (2z|0,0,1)' (3z-1|0,0,1/3)' (6z-1|0,0,5/3)' (2x|0,0,1)' (2xy|0,0,5/3)' (2y|0,0,1/3)' (21|0,0,1/3)' (22|0,0,1)' (23|0,0,5/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24k (x,y,z;mx,my,mz) (x-y,x,z+4/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+4/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+4/3;-mx,-mx+my,-mz) (x,x-y,-z+4/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+5/3;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1/3;mx-my,mx,-mz) (y,-x+y,z+5/3;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+5/3;-my,-mx,mz) (-x,-x+y,-z+1/3;mx,mx-my,mz) (x,x-y,-z+1/3;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+5/3;my,mx,mz) 12j (x,2x,1/2;mx,0,mz) (-x,x,11/6;mx,mx,mz) (-2x,-x,7/6;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,11/6;-mx,-mx,mz) (2x,x,7/6;0,-mx,mz) (-x,-2x,-1/2;mx,0,-mz) (2x,x,1/6;0,mx,-mz) (-x,x,5/6;-mx,-mx,-mz) (x,-x,5/6;mx,mx,-mz) (x,2x,-1/2;-mx,0,-mz) (-2x,-x,1/6;0,-mx,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,4/3;-mx,mx,0) (-2x,-x,2/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,4/3;mx,-mx,0) (2x,x,2/3;2mx,mx,0) (x,2x,1;-mx,-2mx,0) (-x,x,1/3;mx,-mx,0) (-2x,-x,5/3;2mx,mx,0) (-x,-2x,1;mx,2mx,0) (x,-x,1/3;-mx,mx,0) (2x,x,5/3;-2mx,-mx,0) 12h (x,0,1/2;mx,2mx,mz) (x,x,11/6;-mx,mx,mz) (0,x,7/6;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,11/6;mx,-mx,mz) (0,-x,7/6;2mx,mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,1/6;2mx,mx,-mz) (-x,-x,5/6;-mx,mx,-mz) (x,x,5/6;mx,-mx,-mz) (-x,0,-1/2;mx,2mx,-mz) (0,-x,1/6;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,4/3;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,4/3;-mx,-mx,0) (0,-x,2/3;0,-mx,0) (x,0,1;-mx,0,0) (x,x,1/3;-mx,-mx,0) (0,x,5/3;0,-mx,0) (-x,0,1;mx,0,0) (-x,-x,1/3;mx,mx,0) (0,-x,5/3;0,mx,0) 12f (1/2,0,z;0,0,mz) (1/2,1/2,z+4/3;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+2/3;0,0,-mz) (1/2,1/2,-z+4/3;0,0,-mz) (1/2,0,z+1;0,0,-mz) (1/2,1/2,z+1/3;0,0,-mz) (0,1/2,z+5/3;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,1/2,-z+5/3;0,0,mz) (1/2,1/2,-z+1/3;0,0,mz) 12e (0,0,z;0,0,mz) (0,0,z+4/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+2/3;0,0,-mz) (0,0,-z+4/3;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,z+1/3;0,0,-mz) (0,0,z+5/3;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,-z+5/3;0,0,mz) (0,0,-z+1/3;0,0,mz) 6d (1/2,0,1/2;0,0,mz) (1/2,1/2,11/6;0,0,mz) (0,1/2,7/6;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,1/2,1/6;0,0,-mz) (1/2,1/2,5/6;0,0,-mz) 6c (1/2,0,0;0,0,0) (1/2,1/2,4/3;0,0,0) (0,1/2,2/3;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,1/3;0,0,0) (0,1/2,5/3;0,0,0) 6b (0,0,1/2;0,0,mz) (0,0,11/6;0,0,mz) (0,0,7/6;0,0,mz) (0,0,-1/2;0,0,-mz) (0,0,1/6;0,0,-mz) (0,0,5/6;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,4/3;0,0,0) (0,0,2/3;0,0,0) (0,0,1;0,0,0) (0,0,1/3;0,0,0) (0,0,5/3;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,2/3) (22|0,0,0) (23|0,0,1/3) (1|0,0,1/2)' (6z|0,0,1/6)' (3z|0,0,5/6)' (2z|0,0,1/2)' (3z-1|0,0,1/6)' (6z-1|0,0,5/6)' (2x|0,0,1/2)' (2xy|0,0,5/6)' (2y|0,0,1/6)' (21|0,0,1/6)' (22|0,0,1/2)' (23|0,0,5/6)' Wyckoff positions (BNS): 24k (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+2/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+1/3;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/6;-mx+my,-mx,-mz) (-y,x-y,z+5/6;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/6;mx-my,mx,-mz) (y,-x+y,z+5/6;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+5/6;-my,-mx,mz) (-x,-x+y,-z+1/6;mx,mx-my,mz) (x,x-y,-z+1/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+5/6;my,mx,mz) 12j (x,2x,1/4;mx,0,mz) (-x,x,11/12;mx,mx,mz) (-2x,-x,7/12;0,mx,mz) (-x,-2x,1/4;-mx,0,mz) (x,-x,11/12;-mx,-mx,mz) (2x,x,7/12;0,-mx,mz) (-x,-2x,3/4;mx,0,-mz) (2x,x,1/12;0,mx,-mz) (-x,x,5/12;-mx,-mx,-mz) (x,-x,5/12;mx,mx,-mz) (x,2x,3/4;-mx,0,-mz) (-2x,-x,1/12;0,-mx,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,2/3;-mx,mx,0) (-2x,-x,1/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,2/3;mx,-mx,0) (2x,x,1/3;2mx,mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,1/6;mx,-mx,0) (-2x,-x,5/6;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,1/6;-mx,mx,0) (2x,x,5/6;-2mx,-mx,0) 12h (x,0,1/4;mx,2mx,mz) (x,x,11/12;-mx,mx,mz) (0,x,7/12;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,11/12;mx,-mx,mz) (0,-x,7/12;2mx,mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,1/12;2mx,mx,-mz) (-x,-x,5/12;-mx,mx,-mz) (x,x,5/12;mx,-mx,-mz) (-x,0,3/4;mx,2mx,-mz) (0,-x,1/12;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,2/3;mx,mx,0) (0,x,1/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,1/3;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,1/6;-mx,-mx,0) (0,x,5/6;0,-mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/6;mx,mx,0) (0,-x,5/6;0,mx,0) 12f (1/2,0,z;0,0,mz) (1/2,1/2,z+2/3;0,0,mz) (0,1/2,z+1/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/3;0,0,-mz) (1/2,1/2,-z+2/3;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+1/6;0,0,-mz) (0,1/2,z+5/6;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+5/6;0,0,mz) (1/2,1/2,-z+1/6;0,0,mz) 12e (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/3;0,0,-mz) (0,0,-z+2/3;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,z+1/6;0,0,-mz) (0,0,z+5/6;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z+5/6;0,0,mz) (0,0,-z+1/6;0,0,mz) 6d (1/2,0,1/4;0,0,mz) (1/2,1/2,11/12;0,0,mz) (0,1/2,7/12;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,1/12;0,0,-mz) (1/2,1/2,5/12;0,0,-mz) 6c (1/2,0,0;0,0,0) (1/2,1/2,2/3;0,0,0) (0,1/2,1/3;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/6;0,0,0) (0,1/2,5/6;0,0,0) 6b (0,0,1/4;0,0,mz) (0,0,11/12;0,0,mz) (0,0,7/12;0,0,mz) (0,0,3/4;0,0,-mz) (0,0,1/12;0,0,-mz) (0,0,5/12;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,2/3;0,0,0) (0,0,1/3;0,0,0) (0,0,1/2;0,0,0) (0,0,1/6;0,0,0) (0,0,5/6;0,0,0) ---------- OG: 181.1.1403 P6_422 UNI: 181.173 P6_422.1 BNS: 181.173 P6_422 Operators: (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,2/3) (22|0,0,0) (23|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+2/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+1/3;-my,-mx,-mz) 6j (x,2x,1/2;mx,2mx,0) (-x,x,1/6;-mx,mx,0) (-2x,-x,5/6;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,1/6;mx,-mx,0) (2x,x,5/6;2mx,mx,0) 6i (x,2x,0;mx,2mx,0) (-x,x,2/3;-mx,mx,0) (-2x,-x,1/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,2/3;mx,-mx,0) (2x,x,1/3;2mx,mx,0) 6h (x,0,1/2;mx,0,0) (x,x,1/6;mx,mx,0) (0,x,5/6;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/6;-mx,-mx,0) (0,-x,5/6;0,-mx,0) 6g (x,0,0;mx,0,0) (x,x,2/3;mx,mx,0) (0,x,1/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,1/3;0,-mx,0) 6f (1/2,0,z;0,0,mz) (1/2,1/2,z+2/3;0,0,mz) (0,1/2,z+1/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+1/3;0,0,-mz) (1/2,1/2,-z+2/3;0,0,-mz) 6e (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/3;0,0,-mz) (0,0,-z+2/3;0,0,-mz) 3d (1/2,0,1/2;0,0,0) (1/2,1/2,1/6;0,0,0) (0,1/2,5/6;0,0,0) 3c (1/2,0,0;0,0,0) (1/2,1/2,2/3;0,0,0) (0,1/2,1/3;0,0,0) 3b (0,0,1/2;0,0,0) (0,0,1/6;0,0,0) (0,0,5/6;0,0,0) 3a (0,0,0;0,0,0) (0,0,2/3;0,0,0) (0,0,1/3;0,0,0) ---------- OG: 181.2.1404 P6_4221' UNI: 181.174 P6_422.1' BNS: 181.174 P6_4221' Operators: (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,2/3) (22|0,0,0) (23|0,0,1/3) (1|0,0,0)' (6z|0,0,2/3)' (3z|0,0,1/3)' (2z|0,0,0)' (3z-1|0,0,2/3)' (6z-1|0,0,1/3)' (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,2/3)' (22|0,0,0)' (23|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;0,0,0) (x-y,x,z+2/3;0,0,0) (-y,x-y,z+1/3;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z+2/3;0,0,0) (y,-x+y,z+1/3;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z+1/3;0,0,0) (-x,-x+y,-z+2/3;0,0,0) (x,x-y,-z+2/3;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z+1/3;0,0,0) 6j (x,2x,1/2;0,0,0) (-x,x,1/6;0,0,0) (-2x,-x,5/6;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,1/6;0,0,0) (2x,x,5/6;0,0,0) 6i (x,2x,0;0,0,0) (-x,x,2/3;0,0,0) (-2x,-x,1/3;0,0,0) (-x,-2x,0;0,0,0) (x,-x,2/3;0,0,0) (2x,x,1/3;0,0,0) 6h (x,0,1/2;0,0,0) (x,x,1/6;0,0,0) (0,x,5/6;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/6;0,0,0) (0,-x,5/6;0,0,0) 6g (x,0,0;0,0,0) (x,x,2/3;0,0,0) (0,x,1/3;0,0,0) (-x,0,0;0,0,0) (-x,-x,2/3;0,0,0) (0,-x,1/3;0,0,0) 6f (1/2,0,z;0,0,0) (1/2,1/2,z+2/3;0,0,0) (0,1/2,z+1/3;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z+1/3;0,0,0) (1/2,1/2,-z+2/3;0,0,0) 6e (0,0,z;0,0,0) (0,0,z+2/3;0,0,0) (0,0,z+1/3;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/3;0,0,0) (0,0,-z+2/3;0,0,0) 3d (1/2,0,1/2;0,0,0) (1/2,1/2,1/6;0,0,0) (0,1/2,5/6;0,0,0) 3c (1/2,0,0;0,0,0) (1/2,1/2,2/3;0,0,0) (0,1/2,1/3;0,0,0) 3b (0,0,1/2;0,0,0) (0,0,1/6;0,0,0) (0,0,5/6;0,0,0) 3a (0,0,0;0,0,0) (0,0,2/3;0,0,0) (0,0,1/3;0,0,0) ---------- OG: 181.3.1405 P6_4'2'2 UNI: 181.175 P6_4'2'2 BNS: 181.175 P6_4'2'2 Operators: (1|0,0,0) (6z|0,0,2/3)' (3z|0,0,1/3) (2z|0,0,0)' (3z-1|0,0,2/3) (6z-1|0,0,1/3)' (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,2/3) (22|0,0,0) (23|0,0,1/3) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+1/3;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) (x,x-y,-z+2/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+1/3;-my,-mx,-mz) 6j (x,2x,1/2;mx,2mx,0) (-x,x,1/6;mx,-mx,0) (-2x,-x,5/6;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,1/6;mx,-mx,0) (2x,x,5/6;-2mx,-mx,0) 6i (x,2x,0;mx,2mx,0) (-x,x,2/3;mx,-mx,0) (-2x,-x,1/3;-2mx,-mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,2/3;mx,-mx,0) (2x,x,1/3;-2mx,-mx,0) 6h (x,0,1/2;mx,2mx,mz) (x,x,1/6;mx,-mx,-mz) (0,x,5/6;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,1/6;mx,-mx,mz) (0,-x,5/6;-2mx,-mx,-mz) 6g (x,0,0;mx,2mx,mz) (x,x,2/3;mx,-mx,-mz) (0,x,1/3;-2mx,-mx,mz) (-x,0,0;mx,2mx,-mz) (-x,-x,2/3;mx,-mx,mz) (0,-x,1/3;-2mx,-mx,-mz) 6f (1/2,0,z;mx,my,0) (1/2,1/2,z+2/3;-mx+my,-mx,0) (0,1/2,z+1/3;-my,mx-my,0) (1/2,0,-z;-mx+my,my,0) (0,1/2,-z+1/3;-my,-mx,0) (1/2,1/2,-z+2/3;mx,mx-my,0) 6e (0,0,z;mx,my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+1/3;-my,mx-my,0) (0,0,-z;-mx+my,my,0) (0,0,-z+1/3;-my,-mx,0) (0,0,-z+2/3;mx,mx-my,0) 3d (1/2,0,1/2;mx,2mx,0) (1/2,1/2,1/6;mx,-mx,0) (0,1/2,5/6;-2mx,-mx,0) 3c (1/2,0,0;mx,2mx,0) (1/2,1/2,2/3;mx,-mx,0) (0,1/2,1/3;-2mx,-mx,0) 3b (0,0,1/2;mx,2mx,0) (0,0,1/6;mx,-mx,0) (0,0,5/6;-2mx,-mx,0) 3a (0,0,0;mx,2mx,0) (0,0,2/3;mx,-mx,0) (0,0,1/3;-2mx,-mx,0) ---------- OG: 181.4.1406 P6_4'22' UNI: 181.176 P6_4'22' BNS: 181.176 P6_4'22' Operators: (1|0,0,0) (6z|0,0,2/3)' (3z|0,0,1/3) (2z|0,0,0)' (3z-1|0,0,2/3) (6z-1|0,0,1/3)' (2x|0,0,0) (2xy|0,0,1/3) (2y|0,0,2/3) (21|0,0,2/3)' (22|0,0,0)' (23|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+2/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 6j (x,2x,1/2;mx,0,mz) (-x,x,1/6;-mx,-mx,-mz) (-2x,-x,5/6;0,mx,mz) (-x,-2x,1/2;mx,0,-mz) (x,-x,1/6;-mx,-mx,mz) (2x,x,5/6;0,mx,-mz) 6i (x,2x,0;mx,0,mz) (-x,x,2/3;-mx,-mx,-mz) (-2x,-x,1/3;0,mx,mz) (-x,-2x,0;mx,0,-mz) (x,-x,2/3;-mx,-mx,mz) (2x,x,1/3;0,mx,-mz) 6h (x,0,1/2;mx,0,0) (x,x,1/6;-mx,-mx,0) (0,x,5/6;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/6;-mx,-mx,0) (0,-x,5/6;0,mx,0) 6g (x,0,0;mx,0,0) (x,x,2/3;-mx,-mx,0) (0,x,1/3;0,mx,0) (-x,0,0;mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,1/3;0,mx,0) 6f (1/2,0,z;mx,my,0) (1/2,1/2,z+2/3;-mx+my,-mx,0) (0,1/2,z+1/3;-my,mx-my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z+1/3;my,mx,0) (1/2,1/2,-z+2/3;-mx,-mx+my,0) 6e (0,0,z;mx,my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+1/3;-my,mx-my,0) (0,0,-z;mx-my,-my,0) (0,0,-z+1/3;my,mx,0) (0,0,-z+2/3;-mx,-mx+my,0) 3d (1/2,0,1/2;mx,0,0) (1/2,1/2,1/6;-mx,-mx,0) (0,1/2,5/6;0,mx,0) 3c (1/2,0,0;mx,0,0) (1/2,1/2,2/3;-mx,-mx,0) (0,1/2,1/3;0,mx,0) 3b (0,0,1/2;mx,0,0) (0,0,1/6;-mx,-mx,0) (0,0,5/6;0,mx,0) 3a (0,0,0;mx,0,0) (0,0,2/3;-mx,-mx,0) (0,0,1/3;0,mx,0) ---------- OG: 181.5.1407 P6_42'2' UNI: 181.177 P6_42'2' BNS: 181.177 P6_42'2' Operators: (1|0,0,0) (6z|0,0,2/3) (3z|0,0,1/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (2x|0,0,0)' (2xy|0,0,1/3)' (2y|0,0,2/3)' (21|0,0,2/3)' (22|0,0,0)' (23|0,0,1/3)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12k (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+1/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+1/3;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) (x,x-y,-z+2/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 6j (x,2x,1/2;mx,0,mz) (-x,x,1/6;mx,mx,mz) (-2x,-x,5/6;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,1/6;-mx,-mx,mz) (2x,x,5/6;0,-mx,mz) 6i (x,2x,0;mx,0,mz) (-x,x,2/3;mx,mx,mz) (-2x,-x,1/3;0,mx,mz) (-x,-2x,0;-mx,0,mz) (x,-x,2/3;-mx,-mx,mz) (2x,x,1/3;0,-mx,mz) 6h (x,0,1/2;mx,2mx,mz) (x,x,1/6;-mx,mx,mz) (0,x,5/6;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,1/6;mx,-mx,mz) (0,-x,5/6;2mx,mx,mz) 6g (x,0,0;mx,2mx,mz) (x,x,2/3;-mx,mx,mz) (0,x,1/3;-2mx,-mx,mz) (-x,0,0;-mx,-2mx,mz) (-x,-x,2/3;mx,-mx,mz) (0,-x,1/3;2mx,mx,mz) 6f (1/2,0,z;0,0,mz) (1/2,1/2,z+2/3;0,0,mz) (0,1/2,z+1/3;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z+1/3;0,0,mz) (1/2,1/2,-z+2/3;0,0,mz) 6e (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/3;0,0,mz) (0,0,-z+2/3;0,0,mz) 3d (1/2,0,1/2;0,0,mz) (1/2,1/2,1/6;0,0,mz) (0,1/2,5/6;0,0,mz) 3c (1/2,0,0;0,0,mz) (1/2,1/2,2/3;0,0,mz) (0,1/2,1/3;0,0,mz) 3b (0,0,1/2;0,0,mz) (0,0,1/6;0,0,mz) (0,0,5/6;0,0,mz) 3a (0,0,0;0,0,mz) (0,0,2/3;0,0,mz) (0,0,1/3;0,0,mz) ---------- OG: 181.6.1408 P_2c6_422' UNI: 180.172 P6_222.1'_c[P6_422] BNS: 180.172 P_c6_222 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,2/3) (3z|0,0,4/3) (2z|0,0,0) (3z-1|0,0,2/3) (6z-1|0,0,4/3) (2x|0,0,0) (2xy|0,0,4/3) (2y|0,0,2/3) (21|0,0,2/3) (22|0,0,0) (23|0,0,4/3) (1|0,0,1)' (6z|0,0,5/3)' (3z|0,0,1/3)' (2z|0,0,1)' (3z-1|0,0,5/3)' (6z-1|0,0,1/3)' (2x|0,0,1)' (2xy|0,0,1/3)' (2y|0,0,5/3)' (21|0,0,5/3)' (22|0,0,1)' (23|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24k (x,y,z;mx,my,mz) (x-y,x,z+2/3;mx-my,mx,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+4/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+4/3;my,mx,-mz) (-x,-x+y,-z+2/3;-mx,-mx+my,-mz) (x,x-y,-z+2/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+4/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+5/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (y,-x+y,z+1/3;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1/3;-my,-mx,mz) (-x,-x+y,-z+5/3;mx,mx-my,mz) (x,x-y,-z+5/3;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 12j (x,2x,1/2;mx,0,mz) (-x,x,7/6;mx,mx,mz) (-2x,-x,11/6;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,7/6;-mx,-mx,mz) (2x,x,11/6;0,-mx,mz) (-x,-2x,-1/2;mx,0,-mz) (2x,x,5/6;0,mx,-mz) (-x,x,1/6;-mx,-mx,-mz) (x,-x,1/6;mx,mx,-mz) (x,2x,-1/2;-mx,0,-mz) (-2x,-x,5/6;0,-mx,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,2/3;-mx,mx,0) (-2x,-x,4/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,2/3;mx,-mx,0) (2x,x,4/3;2mx,mx,0) (x,2x,1;-mx,-2mx,0) (-x,x,5/3;mx,-mx,0) (-2x,-x,1/3;2mx,mx,0) (-x,-2x,1;mx,2mx,0) (x,-x,5/3;-mx,mx,0) (2x,x,1/3;-2mx,-mx,0) 12h (x,0,1/2;mx,2mx,mz) (x,x,7/6;-mx,mx,mz) (0,x,11/6;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,7/6;mx,-mx,mz) (0,-x,11/6;2mx,mx,mz) (x,0,-1/2;-mx,-2mx,-mz) (0,x,5/6;2mx,mx,-mz) (-x,-x,1/6;-mx,mx,-mz) (x,x,1/6;mx,-mx,-mz) (-x,0,-1/2;mx,2mx,-mz) (0,-x,5/6;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,2/3;mx,mx,0) (0,x,4/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,2/3;-mx,-mx,0) (0,-x,4/3;0,-mx,0) (x,0,1;-mx,0,0) (x,x,5/3;-mx,-mx,0) (0,x,1/3;0,-mx,0) (-x,0,1;mx,0,0) (-x,-x,5/3;mx,mx,0) (0,-x,1/3;0,mx,0) 12f (1/2,0,z;0,0,mz) (1/2,1/2,z+2/3;0,0,mz) (0,1/2,z+4/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+4/3;0,0,-mz) (1/2,1/2,-z+2/3;0,0,-mz) (1/2,0,z+1;0,0,-mz) (1/2,1/2,z+5/3;0,0,-mz) (0,1/2,z+1/3;0,0,-mz) (1/2,0,-z+1;0,0,mz) (0,1/2,-z+1/3;0,0,mz) (1/2,1/2,-z+5/3;0,0,mz) 12e (0,0,z;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,z+4/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+4/3;0,0,-mz) (0,0,-z+2/3;0,0,-mz) (0,0,z+1;0,0,-mz) (0,0,z+5/3;0,0,-mz) (0,0,z+1/3;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,-z+1/3;0,0,mz) (0,0,-z+5/3;0,0,mz) 6d (1/2,0,1/2;0,0,mz) (1/2,1/2,7/6;0,0,mz) (0,1/2,11/6;0,0,mz) (1/2,0,-1/2;0,0,-mz) (0,1/2,5/6;0,0,-mz) (1/2,1/2,1/6;0,0,-mz) 6c (1/2,0,0;0,0,0) (1/2,1/2,2/3;0,0,0) (0,1/2,4/3;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,5/3;0,0,0) (0,1/2,1/3;0,0,0) 6b (0,0,1/2;0,0,mz) (0,0,7/6;0,0,mz) (0,0,11/6;0,0,mz) (0,0,-1/2;0,0,-mz) (0,0,5/6;0,0,-mz) (0,0,1/6;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,2/3;0,0,0) (0,0,4/3;0,0,0) (0,0,1;0,0,0) (0,0,5/3;0,0,0) (0,0,1/3;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/3) (3z|0,0,2/3) (2z|0,0,0) (3z-1|0,0,1/3) (6z-1|0,0,2/3) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,1/3) (22|0,0,0) (23|0,0,2/3) (1|0,0,1/2)' (6z|0,0,5/6)' (3z|0,0,1/6)' (2z|0,0,1/2)' (3z-1|0,0,5/6)' (6z-1|0,0,1/6)' (2x|0,0,1/2)' (2xy|0,0,1/6)' (2y|0,0,5/6)' (21|0,0,5/6)' (22|0,0,1/2)' (23|0,0,1/6)' Wyckoff positions (BNS): 24k (x,y,z;mx,my,mz) (x-y,x,z+1/3;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+2/3;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+1/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+2/3;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+5/6;-mx+my,-mx,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (y,-x+y,z+1/6;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/6;-my,-mx,mz) (-x,-x+y,-z+5/6;mx,mx-my,mz) (x,x-y,-z+5/6;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/6;my,mx,mz) 12j (x,2x,1/4;mx,0,mz) (-x,x,7/12;mx,mx,mz) (-2x,-x,11/12;0,mx,mz) (-x,-2x,1/4;-mx,0,mz) (x,-x,7/12;-mx,-mx,mz) (2x,x,11/12;0,-mx,mz) (-x,-2x,3/4;mx,0,-mz) (2x,x,5/12;0,mx,-mz) (-x,x,1/12;-mx,-mx,-mz) (x,-x,1/12;mx,mx,-mz) (x,2x,3/4;-mx,0,-mz) (-2x,-x,5/12;0,-mx,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,1/3;-mx,mx,0) (-2x,-x,2/3;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1/3;mx,-mx,0) (2x,x,2/3;2mx,mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,5/6;mx,-mx,0) (-2x,-x,1/6;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,5/6;-mx,mx,0) (2x,x,1/6;-2mx,-mx,0) 12h (x,0,1/4;mx,2mx,mz) (x,x,7/12;-mx,mx,mz) (0,x,11/12;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,7/12;mx,-mx,mz) (0,-x,11/12;2mx,mx,mz) (x,0,3/4;-mx,-2mx,-mz) (0,x,5/12;2mx,mx,-mz) (-x,-x,1/12;-mx,mx,-mz) (x,x,1/12;mx,-mx,-mz) (-x,0,3/4;mx,2mx,-mz) (0,-x,5/12;-2mx,-mx,-mz) 12g (x,0,0;mx,0,0) (x,x,1/3;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,2/3;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,5/6;-mx,-mx,0) (0,x,1/6;0,-mx,0) (-x,0,1/2;mx,0,0) (-x,-x,5/6;mx,mx,0) (0,-x,1/6;0,mx,0) 12f (1/2,0,z;0,0,mz) (1/2,1/2,z+1/3;0,0,mz) (0,1/2,z+2/3;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z+2/3;0,0,-mz) (1/2,1/2,-z+1/3;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (1/2,1/2,z+5/6;0,0,-mz) (0,1/2,z+1/6;0,0,-mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/6;0,0,mz) (1/2,1/2,-z+5/6;0,0,mz) 12e (0,0,z;0,0,mz) (0,0,z+1/3;0,0,mz) (0,0,z+2/3;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+2/3;0,0,-mz) (0,0,-z+1/3;0,0,-mz) (0,0,z+1/2;0,0,-mz) (0,0,z+5/6;0,0,-mz) (0,0,z+1/6;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z+1/6;0,0,mz) (0,0,-z+5/6;0,0,mz) 6d (1/2,0,1/4;0,0,mz) (1/2,1/2,7/12;0,0,mz) (0,1/2,11/12;0,0,mz) (1/2,0,3/4;0,0,-mz) (0,1/2,5/12;0,0,-mz) (1/2,1/2,1/12;0,0,-mz) 6c (1/2,0,0;0,0,0) (1/2,1/2,1/3;0,0,0) (0,1/2,2/3;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,5/6;0,0,0) (0,1/2,1/6;0,0,0) 6b (0,0,1/4;0,0,mz) (0,0,7/12;0,0,mz) (0,0,11/12;0,0,mz) (0,0,3/4;0,0,-mz) (0,0,5/12;0,0,-mz) (0,0,1/12;0,0,-mz) 6a (0,0,0;0,0,0) (0,0,1/3;0,0,0) (0,0,2/3;0,0,0) (0,0,1/2;0,0,0) (0,0,5/6;0,0,0) (0,0,1/6;0,0,0) ---------- OG: 181.7.1409 P_2c6_4'2'2' UNI: 179.166 P6_522.1'_c[P6_422] BNS: 179.166 P_c6_522 OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,5/3) (3z|0,0,4/3) (2z|0,0,1) (3z-1|0,0,2/3) (6z-1|0,0,1/3) (2x|0,0,1) (2xy|0,0,1/3) (2y|0,0,5/3) (21|0,0,2/3) (22|0,0,0) (23|0,0,4/3) (1|0,0,1)' (6z|0,0,2/3)' (3z|0,0,1/3)' (2z|0,0,0)' (3z-1|0,0,5/3)' (6z-1|0,0,4/3)' (2x|0,0,0)' (2xy|0,0,4/3)' (2y|0,0,2/3)' (21|0,0,5/3)' (22|0,0,1)' (23|0,0,1/3)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24k (x,y,z;mx,my,mz) (x-y,x,z+5/3;mx-my,mx,mz) (-y,x-y,z+4/3;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z+2/3;-mx+my,-mx,mz) (y,-x+y,z+1/3;my,-mx+my,mz) (x-y,-y,-z+1;mx-my,-my,-mz) (y,x,-z+1/3;my,mx,-mz) (-x,-x+y,-z+5/3;-mx,-mx+my,-mz) (x,x-y,-z+2/3;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z+4/3;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+2/3;-mx+my,-mx,-mz) (-y,x-y,z+1/3;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+5/3;mx-my,mx,-mz) (y,-x+y,z+4/3;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z+4/3;-my,-mx,mz) (-x,-x+y,-z+2/3;mx,mx-my,mz) (x,x-y,-z+5/3;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1/3;my,mx,mz) 12j (x,2x,1/2;mx,0,mz) (-x,x,13/6;mx,mx,mz) (-2x,-x,11/6;0,mx,mz) (-x,-2x,3/2;-mx,0,mz) (x,-x,7/6;-mx,-mx,mz) (2x,x,5/6;0,-mx,mz) (-x,-2x,1/2;mx,0,-mz) (2x,x,-1/6;0,mx,-mz) (-x,x,7/6;-mx,-mx,-mz) (x,-x,1/6;mx,mx,-mz) (x,2x,-1/2;-mx,0,-mz) (-2x,-x,5/6;0,-mx,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,5/3;-mx,mx,0) (-2x,-x,4/3;-2mx,-mx,0) (-x,-2x,1;-mx,-2mx,0) (x,-x,2/3;mx,-mx,0) (2x,x,1/3;2mx,mx,0) (x,2x,1;-mx,-2mx,0) (-x,x,2/3;mx,-mx,0) (-2x,-x,1/3;2mx,mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,5/3;-mx,mx,0) (2x,x,4/3;-2mx,-mx,0) 12h (x,0,1/2;mx,0,0) (x,x,13/6;mx,mx,0) (0,x,11/6;0,mx,0) (-x,0,3/2;-mx,0,0) (-x,-x,7/6;-mx,-mx,0) (0,-x,5/6;0,-mx,0) (x,0,3/2;-mx,0,0) (x,x,7/6;-mx,-mx,0) (0,x,5/6;0,-mx,0) (-x,0,1/2;mx,0,0) (-x,-x,13/6;mx,mx,0) (0,-x,11/6;0,mx,0) 12g (x,0,0;mx,2mx,mz) (x,x,5/3;-mx,mx,mz) (0,x,4/3;-2mx,-mx,mz) (-x,0,1;-mx,-2mx,mz) (-x,-x,2/3;mx,-mx,mz) (0,-x,1/3;2mx,mx,mz) (x,0,1;-mx,-2mx,-mz) (0,x,1/3;2mx,mx,-mz) (-x,-x,5/3;-mx,mx,-mz) (x,x,2/3;mx,-mx,-mz) (-x,0,0;mx,2mx,-mz) (0,-x,4/3;-2mx,-mx,-mz) 12f (1/2,0,z;mx,my,0) (1/2,1/2,z+5/3;mx-my,mx,0) (0,1/2,z+4/3;-my,mx-my,0) (-1/2,0,z+1;-mx,-my,0) (-1/2,-1/2,z+2/3;-mx+my,-mx,0) (0,-1/2,z+1/3;my,-mx+my,0) (1/2,0,-z+1;mx-my,-my,0) (0,1/2,-z+1/3;my,mx,0) (-1/2,-1/2,-z+5/3;-mx,-mx+my,0) (1/2,1/2,-z+2/3;mx,mx-my,0) (-1/2,0,-z;-mx+my,my,0) (0,-1/2,-z+4/3;-my,-mx,0) 12e (0,0,z;mx,my,0) (0,0,z+5/3;mx-my,mx,0) (0,0,z+4/3;-my,mx-my,0) (0,0,z+1;-mx,-my,0) (0,0,z+2/3;-mx+my,-mx,0) (0,0,z+1/3;my,-mx+my,0) (0,0,-z+1;mx-my,-my,0) (0,0,-z+1/3;my,mx,0) (0,0,-z+5/3;-mx,-mx+my,0) (0,0,-z+2/3;mx,mx-my,0) (0,0,-z;-mx+my,my,0) (0,0,-z+4/3;-my,-mx,0) 6d (1/2,0,1/2;mx,0,0) (1/2,1/2,13/6;mx,mx,0) (0,1/2,11/6;0,mx,0) (-1/2,0,3/2;-mx,0,0) (-1/2,-1/2,7/6;-mx,-mx,0) (0,-1/2,5/6;0,-mx,0) 6c (1/2,0,0;mx,2mx,0) (1/2,1/2,5/3;-mx,mx,0) (0,1/2,4/3;-2mx,-mx,0) (-1/2,0,1;-mx,-2mx,0) (-1/2,-1/2,2/3;mx,-mx,0) (0,-1/2,1/3;2mx,mx,0) 6b (0,0,1/2;mx,0,0) (0,0,13/6;mx,mx,0) (0,0,11/6;0,mx,0) (0,0,3/2;-mx,0,0) (0,0,7/6;-mx,-mx,0) (0,0,5/6;0,-mx,0) 6a (0,0,0;mx,2mx,0) (0,0,5/3;-mx,mx,0) (0,0,4/3;-2mx,-mx,0) (0,0,1;-mx,-2mx,0) (0,0,2/3;mx,-mx,0) (0,0,1/3;2mx,mx,0) Operators (BNS): (1|0,0,0) (6z|0,0,5/6) (3z|0,0,2/3) (2z|0,0,1/2) (3z-1|0,0,1/3) (6z-1|0,0,1/6) (2x|0,0,0) (2xy|0,0,2/3) (2y|0,0,1/3) (21|0,0,5/6) (22|0,0,1/2) (23|0,0,1/6) (1|0,0,1/2)' (6z|0,0,1/3)' (3z|0,0,1/6)' (2z|0,0,0)' (3z-1|0,0,5/6)' (6z-1|0,0,2/3)' (2x|0,0,1/2)' (2xy|0,0,1/6)' (2y|0,0,5/6)' (21|0,0,1/3)' (22|0,0,0)' (23|0,0,2/3)' Wyckoff positions (BNS): 24k (x,y,z;mx,my,mz) (x-y,x,z+5/6;mx-my,mx,mz) (-y,x-y,z+2/3;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z+1/3;-mx+my,-mx,mz) (y,-x+y,z+1/6;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z+2/3;my,mx,-mz) (-x,-x+y,-z+1/3;-mx,-mx+my,-mz) (x,x-y,-z+5/6;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/6;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/3;-mx+my,-mx,-mz) (-y,x-y,z+1/6;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+5/6;mx-my,mx,-mz) (y,-x+y,z+2/3;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/6;-my,-mx,mz) (-x,-x+y,-z+5/6;mx,mx-my,mz) (x,x-y,-z+1/3;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z+2/3;my,mx,mz) 12j (x,2x,0;mx,0,mz) (-x,x,5/6;mx,mx,mz) (-2x,-x,2/3;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,1/3;-mx,-mx,mz) (2x,x,1/6;0,-mx,mz) (-x,-2x,0;mx,0,-mz) (2x,x,2/3;0,mx,-mz) (-x,x,1/3;-mx,-mx,-mz) (x,-x,5/6;mx,mx,-mz) (x,2x,1/2;-mx,0,-mz) (-2x,-x,1/6;0,-mx,-mz) 12i (x,2x,3/4;mx,2mx,0) (-x,x,7/12;-mx,mx,0) (-2x,-x,5/12;-2mx,-mx,0) (-x,-2x,1/4;-mx,-2mx,0) (x,-x,1/12;mx,-mx,0) (2x,x,11/12;2mx,mx,0) (x,2x,1/4;-mx,-2mx,0) (-x,x,1/12;mx,-mx,0) (-2x,-x,11/12;2mx,mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,7/12;-mx,mx,0) (2x,x,5/12;-2mx,-mx,0) 12h (x,0,0;mx,0,0) (x,x,5/6;mx,mx,0) (0,x,2/3;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/3;-mx,-mx,0) (0,-x,1/6;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,1/3;-mx,-mx,0) (0,x,1/6;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,5/6;mx,mx,0) (0,-x,2/3;0,mx,0) 12g (x,0,3/4;mx,2mx,mz) (x,x,7/12;-mx,mx,mz) (0,x,5/12;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,1/12;mx,-mx,mz) (0,-x,11/12;2mx,mx,mz) (x,0,1/4;-mx,-2mx,-mz) (0,x,11/12;2mx,mx,-mz) (-x,-x,7/12;-mx,mx,-mz) (x,x,1/12;mx,-mx,-mz) (-x,0,3/4;mx,2mx,-mz) (0,-x,5/12;-2mx,-mx,-mz) 12f (1/2,0,z;mx,my,0) (1/2,1/2,z+5/6;mx-my,mx,0) (0,1/2,z+2/3;-my,mx-my,0) (1/2,0,z+1/2;-mx,-my,0) (1/2,1/2,z+1/3;-mx+my,-mx,0) (0,1/2,z+1/6;my,-mx+my,0) (1/2,0,-z;mx-my,-my,0) (0,1/2,-z+2/3;my,mx,0) (1/2,1/2,-z+1/3;-mx,-mx+my,0) (1/2,1/2,-z+5/6;mx,mx-my,0) (1/2,0,-z+1/2;-mx+my,my,0) (0,1/2,-z+1/6;-my,-mx,0) 12e (0,0,z;mx,my,0) (0,0,z+5/6;mx-my,mx,0) (0,0,z+2/3;-my,mx-my,0) (0,0,z+1/2;-mx,-my,0) (0,0,z+1/3;-mx+my,-mx,0) (0,0,z+1/6;my,-mx+my,0) (0,0,-z;mx-my,-my,0) (0,0,-z+2/3;my,mx,0) (0,0,-z+1/3;-mx,-mx+my,0) (0,0,-z+5/6;mx,mx-my,0) (0,0,-z+1/2;-mx+my,my,0) (0,0,-z+1/6;-my,-mx,0) 6d (1/2,0,0;mx,0,0) (1/2,1/2,5/6;mx,mx,0) (0,1/2,2/3;0,mx,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,1/3;-mx,-mx,0) (0,1/2,1/6;0,-mx,0) 6c (1/2,0,3/4;mx,2mx,0) (1/2,1/2,7/12;-mx,mx,0) (0,1/2,5/12;-2mx,-mx,0) (1/2,0,1/4;-mx,-2mx,0) (1/2,1/2,1/12;mx,-mx,0) (0,1/2,11/12;2mx,mx,0) 6b (0,0,0;mx,0,0) (0,0,5/6;mx,mx,0) (0,0,2/3;0,mx,0) (0,0,1/2;-mx,0,0) (0,0,1/3;-mx,-mx,0) (0,0,1/6;0,-mx,0) 6a (0,0,3/4;mx,2mx,0) (0,0,7/12;-mx,mx,0) (0,0,5/12;-2mx,-mx,0) (0,0,1/4;-mx,-2mx,0) (0,0,1/12;mx,-mx,0) (0,0,11/12;2mx,mx,0) ---------- OG: 182.1.1410 P6_322 UNI: 182.179 P6_322.1 BNS: 182.179 P6_322 Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 6h (x,2x,1/4;mx,2mx,0) (-x,x,3/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,3/4;2mx,mx,0) 6g (x,0,0;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,-mx,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 182.2.1411 P6_3221' UNI: 182.180 P6_322.1' BNS: 182.180 P6_3221' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (x,x-y,-z+1/2;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) 6h (x,2x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,3/4;0,0,0) 6g (x,0,0;0,0,0) (x,x,1/2;0,0,0) (0,x,0;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,0;0,0,0) (0,-x,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 182.3.1412 P6_3'2'2 UNI: 182.181 P6_3'2'2 BNS: 182.181 P6_3'2'2 Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) 6h (x,2x,1/4;mx,2mx,0) (-x,x,3/4;mx,-mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,3/4;-2mx,-mx,0) 6g (x,0,0;mx,2mx,mz) (x,x,1/2;mx,-mx,-mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;-2mx,-mx,-mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 182.4.1413 P6_3'22' UNI: 182.182 P6_3'22' BNS: 182.182 P6_3'22' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) 6h (x,2x,1/4;mx,0,mz) (-x,x,3/4;-mx,-mx,-mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,3/4;mx,0,-mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,3/4;0,mx,-mz) 6g (x,0,0;mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,0;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,mx,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2d (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 182.5.1414 P6_32'2' UNI: 182.183 P6_32'2' BNS: 182.183 P6_32'2' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) 6h (x,2x,1/4;mx,0,mz) (-x,x,3/4;mx,mx,mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,3/4;-mx,0,mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,3/4;0,-mx,mz) 6g (x,0,0;mx,2mx,mz) (x,x,1/2;-mx,mx,mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;2mx,mx,mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2d (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 183.1.1415 P6mm UNI: 183.185 P6mm.1 BNS: 183.185 P6mm Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6e (x,-x,z;mx,mx,0) (2x,x,z;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z;mx,0,0) 6d (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) 3c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 183.2.1416 P6mm1' UNI: 183.186 P6mm.1' BNS: 183.186 P6mm1' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12f (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 6e (x,-x,z;0,0,0) (2x,x,z;0,0,0) (x,2x,z;0,0,0) (-x,x,z;0,0,0) (-2x,-x,z;0,0,0) (-x,-2x,z;0,0,0) 6d (x,0,z;0,0,0) (x,x,z;0,0,0) (0,x,z;0,0,0) (-x,0,z;0,0,0) (-x,-x,z;0,0,0) (0,-x,z;0,0,0) 3c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 183.3.1417 P6'm'm UNI: 183.187 P6'm'm BNS: 183.187 P6'm'm Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12f (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6e (x,-x,z;mx,-mx,mz) (2x,x,z;-2mx,-mx,-mz) (x,2x,z;mx,2mx,mz) (-x,x,z;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;mx,2mx,-mz) 6d (x,0,z;mx,2mx,0) (x,x,z;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;-2mx,-mx,0) 3c (1/2,0,z;mx,2mx,0) (1/2,1/2,z;mx,-mx,0) (0,1/2,z;-2mx,-mx,0) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) 1a (0,0,z;0,0,0) ---------- OG: 183.4.1418 P6'mm' UNI: 183.188 P6'mm' BNS: 183.188 P6'mm' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12f (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6e (x,-x,z;mx,mx,0) (2x,x,z;0,-mx,0) (x,2x,z;-mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z;-mx,0,0) 6d (x,0,z;mx,0,mz) (x,x,z;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,mx,-mz) 3c (1/2,0,z;mx,0,0) (1/2,1/2,z;-mx,-mx,0) (0,1/2,z;0,mx,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) 1a (0,0,z;0,0,0) ---------- OG: 183.5.1419 P6m'm' UNI: 183.189 P6m'm' BNS: 183.189 P6m'm' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6e (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) 6d (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) 3c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) 1a (0,0,z;0,0,mz) ---------- OG: 183.6.1420 P_2c6mm UNI: 183.190 P6mm.1'_c[P6mm] BNS: 183.190 P_c6mm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 12e (x,-x,z;mx,mx,0) (2x,x,z;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z;mx,0,0) (x,-x,z+1;-mx,-mx,0) (2x,x,z+1;0,-mx,0) (x,2x,z+1;mx,0,0) (-x,x,z+1;mx,mx,0) (-2x,-x,z+1;0,mx,0) (-x,-2x,z+1;-mx,0,0) 12d (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,z+1;-mx,-2mx,0) (x,x,z+1;mx,-mx,0) (0,x,z+1;2mx,mx,0) (-x,0,z+1;mx,2mx,0) (-x,-x,z+1;-mx,mx,0) (0,-x,z+1;-2mx,-mx,0) 6c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1;0,0,0) (1/2,1/2,z+1;0,0,0) (0,1/2,z+1;0,0,0) 4b (1/3,2/3,z;0,0,0) (-1/3,1/3,z;0,0,0) (1/3,2/3,z+1;0,0,0) (-1/3,1/3,z+1;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 24f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12e (x,-x,z;mx,mx,0) (2x,x,z;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z;mx,0,0) (x,-x,z+1/2;-mx,-mx,0) (2x,x,z+1/2;0,-mx,0) (x,2x,z+1/2;mx,0,0) (-x,x,z+1/2;mx,mx,0) (-2x,-x,z+1/2;0,mx,0) (-x,-2x,z+1/2;-mx,0,0) 12d (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,z+1/2;-mx,-2mx,0) (x,x,z+1/2;mx,-mx,0) (0,x,z+1/2;2mx,mx,0) (-x,0,z+1/2;mx,2mx,0) (-x,-x,z+1/2;-mx,mx,0) (0,-x,z+1/2;-2mx,-mx,0) 6c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) 4b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 183.7.1421 P_2c6'm'm UNI: 185.202 P6_3cm.1'_c[P6mm] BNS: 185.202 P_c6_3cm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24f (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 12e (x,-x,z;mx,-mx,mz) (2x,x,z+1;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z+1;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1;-mx,-2mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) (-x,-2x,z;mx,2mx,-mz) (2x,x,z;-2mx,-mx,-mz) (-x,x,z;mx,-mx,-mz) 12d (x,0,z;mx,2mx,0) (x,x,z+1;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1;2mx,mx,0) (x,0,z+1;-mx,-2mx,0) (x,x,z;mx,-mx,0) (0,x,z+1;2mx,mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z+1;-mx,mx,0) (0,-x,z;-2mx,-mx,0) 6c (1/2,0,z;mx,2mx,0) (1/2,1/2,z+1;-mx,mx,0) (0,1/2,z;-2mx,-mx,0) (-1/2,0,z+1;-mx,-2mx,0) (-1/2,-1/2,z;mx,-mx,0) (0,-1/2,z+1;2mx,mx,0) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 24f (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12e (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;-mx,-2mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) (-x,-2x,z;mx,2mx,-mz) (2x,x,z;-2mx,-mx,-mz) (-x,x,z;mx,-mx,-mz) 12d (x,0,z;mx,2mx,0) (x,x,z+1/2;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;2mx,mx,0) (x,0,z+1/2;-mx,-2mx,0) (x,x,z;mx,-mx,0) (0,x,z+1/2;2mx,mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z+1/2;-mx,mx,0) (0,-x,z;-2mx,-mx,0) 6c (1/2,0,z;mx,2mx,0) (1/2,1/2,z+1/2;-mx,mx,0) (0,1/2,z;-2mx,-mx,0) (1/2,0,z+1/2;-mx,-2mx,0) (1/2,1/2,z;mx,-mx,0) (0,1/2,z+1/2;2mx,mx,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 183.8.1422 P_2c6'mm' UNI: 186.208 P6_3mc.1'_c[P6mm] BNS: 186.208 P_c6_3mc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24f (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12e (x,-x,z;mx,mx,0) (2x,x,z+1;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z+1;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z+1;mx,0,0) (x,-x,z+1;-mx,-mx,0) (2x,x,z;0,-mx,0) (x,2x,z+1;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z+1;0,mx,0) (-x,-2x,z;-mx,0,0) 12d (x,0,z;mx,0,mz) (x,x,z+1;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1;0,-mx,mz) (-x,0,z;mx,0,-mz) (0,-x,z;0,mx,-mz) (x,x,z;-mx,-mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 6c (1/2,0,z;mx,0,0) (1/2,1/2,z+1;mx,mx,0) (0,1/2,z;0,mx,0) (-1/2,0,z+1;-mx,0,0) (-1/2,-1/2,z;-mx,-mx,0) (0,-1/2,z+1;0,-mx,0) 4b (1/3,2/3,z;0,0,0) (-1/3,1/3,z+1;0,0,0) (1/3,2/3,z+1;0,0,0) (-1/3,1/3,z;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 24f (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12e (x,-x,z;mx,mx,0) (2x,x,z+1/2;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z+1/2;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z+1/2;mx,0,0) (x,-x,z+1/2;-mx,-mx,0) (2x,x,z;0,-mx,0) (x,2x,z+1/2;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z+1/2;0,mx,0) (-x,-2x,z;-mx,0,0) 12d (x,0,z;mx,0,mz) (x,x,z+1/2;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,-mx,mz) (-x,0,z;mx,0,-mz) (0,-x,z;0,mx,-mz) (x,x,z;-mx,-mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 6c (1/2,0,z;mx,0,0) (1/2,1/2,z+1/2;mx,mx,0) (0,1/2,z;0,mx,0) (1/2,0,z+1/2;-mx,0,0) (1/2,1/2,z;-mx,-mx,0) (0,1/2,z+1/2;0,-mx,0) 4b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 183.9.1423 P_2c6m'm' UNI: 184.196 P6cc.1'_c[P6mm] BNS: 184.196 P_c6cc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12e (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) (-x,-2x,z+1;mx,2mx,-mz) (2x,x,z+1;-2mx,-mx,-mz) (-x,x,z+1;mx,-mx,-mz) 12d (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (0,-x,z+1;0,mx,-mz) (x,x,z+1;-mx,-mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (-1/2,0,z+1;0,0,-mz) (0,-1/2,z+1;0,0,-mz) (-1/2,-1/2,z+1;0,0,-mz) 4b (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 24f (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12e (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) (-x,-2x,z+1/2;mx,2mx,-mz) (2x,x,z+1/2;-2mx,-mx,-mz) (-x,x,z+1/2;mx,-mx,-mz) 12d (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (-x,0,z+1/2;mx,0,-mz) (0,-x,z+1/2;0,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 184.1.1424 P6cc UNI: 184.191 P6cc.1 BNS: 184.191 P6cc Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 184.2.1425 P6cc1' UNI: 184.192 P6cc.1' BNS: 184.192 P6cc1' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 6c (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) 4b (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 184.3.1426 P6'c'c UNI: 184.193 P6'c'c BNS: 184.193 P6'c'c Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6c (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,z+1/2;-mx+my,my,0) (0,1/2,z+1/2;-my,-mx,0) (1/2,1/2,z+1/2;mx,mx-my,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 184.4.1427 P6'cc' UNI: 184.194 P6'cc' BNS: 184.194 P6'cc' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6c (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,z+1/2;mx-my,-my,0) (0,1/2,z+1/2;my,mx,0) (1/2,1/2,z+1/2;-mx,-mx+my,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 184.5.1428 P6c'c' UNI: 184.195 P6c'c' BNS: 184.195 P6c'c' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6c (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 185.1.1429 P6_3cm UNI: 185.197 P6_3cm.1 BNS: 185.197 P6_3cm Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6c (x,0,z;mx,2mx,0) (x,x,z+1/2;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;2mx,mx,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 185.2.1430 P6_3cm1' UNI: 185.198 P6_3cm.1' BNS: 185.198 P6_3cm1' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 6c (x,0,z;0,0,0) (x,x,z+1/2;0,0,0) (0,x,z;0,0,0) (-x,0,z+1/2;0,0,0) (-x,-x,z;0,0,0) (0,-x,z+1/2;0,0,0) 4b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 185.3.1431 P6_3'c'm UNI: 185.199 P6_3'c'm BNS: 185.199 P6_3'c'm Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6c (x,0,z;mx,2mx,0) (x,x,z+1/2;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;-2mx,-mx,0) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,-mz) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 185.4.1432 P6_3'cm' UNI: 185.200 P6_3'cm' BNS: 185.200 P6_3'cm' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6c (x,0,z;mx,0,mz) (x,x,z+1/2;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,mx,-mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 185.5.1433 P6_3c'm' UNI: 185.201 P6_3c'm' BNS: 185.201 P6_3c'm' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6c (x,0,z;mx,0,mz) (x,x,z+1/2;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,-mx,mz) 4b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 186.1.1434 P6_3mc UNI: 186.203 P6_3mc.1 BNS: 186.203 P6_3mc Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6c (x,-x,z;mx,mx,0) (2x,x,z+1/2;0,mx,0) (x,2x,z;-mx,0,0) (-x,x,z+1/2;-mx,-mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z+1/2;mx,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 186.2.1435 P6_3mc1' UNI: 186.204 P6_3mc.1' BNS: 186.204 P6_3mc1' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 6c (x,-x,z;0,0,0) (2x,x,z+1/2;0,0,0) (x,2x,z;0,0,0) (-x,x,z+1/2;0,0,0) (-2x,-x,z;0,0,0) (-x,-2x,z+1/2;0,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 186.3.1436 P6_3'm'c UNI: 186.205 P6_3'm'c BNS: 186.205 P6_3'm'c Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6c (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;-2mx,-mx,-mz) (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;mx,2mx,-mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) ---------- OG: 186.4.1437 P6_3'mc' UNI: 186.206 P6_3'mc' BNS: 186.206 P6_3'mc' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6c (x,-x,z;mx,mx,0) (2x,x,z+1/2;0,-mx,0) (x,2x,z;-mx,0,0) (-x,x,z+1/2;mx,mx,0) (-2x,-x,z;0,-mx,0) (-x,-2x,z+1/2;-mx,0,0) 2b (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) 2a (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) ---------- OG: 186.5.1438 P6_3m'c' UNI: 186.207 P6_3m'c' BNS: 186.207 P6_3m'c' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12d (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6c (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;2mx,mx,mz) (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;-mx,-2mx,mz) 2b (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 2a (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) ---------- OG: 187.1.1439 P-6m2 UNI: 187.209 P-6m2.1 BNS: 187.209 P-6m2 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 6n (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) (x,-x,-z;-mx,-mx,0) 6m (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 6l (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) 3k (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) 3j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) 2i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 187.2.1440 P-6m21' UNI: 187.210 P-6m2.1' BNS: 187.210 P-6m21' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12o (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) (-x+y,-x,-z;0,0,0) (x,y,-z;0,0,0) (-y,x-y,-z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) 6n (x,-x,z;0,0,0) (x,2x,z;0,0,0) (-2x,-x,z;0,0,0) (x,2x,-z;0,0,0) (-2x,-x,-z;0,0,0) (x,-x,-z;0,0,0) 6m (x,y,1/2;0,0,0) (-y,x-y,1/2;0,0,0) (-x+y,-x,1/2;0,0,0) (x,x-y,1/2;0,0,0) (-x+y,y,1/2;0,0,0) (-y,-x,1/2;0,0,0) 6l (x,y,0;0,0,0) (-y,x-y,0;0,0,0) (-x+y,-x,0;0,0,0) (x,x-y,0;0,0,0) (-x+y,y,0;0,0,0) (-y,-x,0;0,0,0) 3k (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) 3j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) 2i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 187.3.1441 P-6'm'2 UNI: 187.211 P-6'm'2 BNS: 187.211 P-6'm'2 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6n (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) (x,-x,-z;mx,-mx,-mz) 6m (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) 6l (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) 3k (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-2x,-x,1/2;-2mx,-mx,0) 3j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 187.4.1442 P-6'm2' UNI: 187.212 P-6'm2' BNS: 187.212 P-6'm2' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) 6n (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) (x,-x,-z;mx,mx,0) 6m (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x,x-y,1/2;-mx,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) 6l (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x,x-y,0;-mx,-mx+my,0) (-x+y,y,0;mx-my,-my,0) (-y,-x,0;my,mx,0) 3k (x,-x,1/2;mx,mx,0) (x,2x,1/2;-mx,0,0) (-2x,-x,1/2;0,-mx,0) 3j (x,-x,0;mx,mx,0) (x,2x,0;-mx,0,0) (-2x,-x,0;0,-mx,0) 2i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) 2h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) 2g (0,0,z;0,0,0) (0,0,-z;0,0,0) 1f (2/3,1/3,1/2;0,0,0) 1e (2/3,1/3,0;0,0,0) 1d (1/3,2/3,1/2;0,0,0) 1c (1/3,2/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 187.5.1443 P-6m'2' UNI: 187.213 P-6m'2' BNS: 187.213 P-6m'2' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 6n (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (x,2x,-z;-mx,-2mx,mz) (-2x,-x,-z;2mx,mx,mz) (x,-x,-z;-mx,mx,mz) 6m (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 6l (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 3k (x,-x,1/2;0,0,mz) (x,2x,1/2;0,0,mz) (-2x,-x,1/2;0,0,mz) 3j (x,-x,0;0,0,mz) (x,2x,0;0,0,mz) (-2x,-x,0;0,0,mz) 2i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) 2h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) 2g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 1f (2/3,1/3,1/2;0,0,mz) 1e (2/3,1/3,0;0,0,mz) 1d (1/3,2/3,1/2;0,0,mz) 1c (1/3,2/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 187.6.1444 P_2c-6m2 UNI: 187.214 P-6m2.1'_c[P-6m2] BNS: 187.214 P_c-6m2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' (-6z|0,0,1)' (mz|0,0,1)' (-6z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (x,y,-z+1;mx,my,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) 12n (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) (x,-x,-z;-mx,-mx,0) (x,-x,z+1;-mx,-mx,0) (x,2x,z+1;mx,0,0) (-2x,-x,z+1;0,mx,0) (x,2x,-z+1;-mx,0,0) (-2x,-x,-z+1;0,-mx,0) (x,-x,-z+1;mx,mx,0) 12m (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x,x-y,-1/2;mx,mx-my,0) (-x+y,y,-1/2;-mx+my,my,0) (-y,-x,-1/2;-my,-mx,0) (-x+y,-x,-1/2;mx-my,mx,0) (x,y,-1/2;-mx,-my,0) (-y,x-y,-1/2;my,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) (x,x-y,1/2;-mx,-mx+my,0) 12l (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) (x,x-y,1;0,0,mz) (-x+y,y,1;0,0,mz) (-y,-x,1;0,0,mz) 6k (x,-x,1/2;mx,mx,0) (x,2x,1/2;-mx,0,0) (-2x,-x,1/2;0,-mx,0) (x,2x,-1/2;mx,0,0) (-2x,-x,-1/2;0,mx,0) (x,-x,-1/2;-mx,-mx,0) 6j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) (x,-x,1;0,0,0) (x,2x,1;0,0,0) (-2x,-x,1;0,0,0) 4i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (2/3,1/3,z+1;0,0,0) (2/3,1/3,-z+1;0,0,0) 4h (1/3,2/3,z;0,0,0) (1/3,-1/3,-z;0,0,0) (1/3,2/3,z+1;0,0,0) (1/3,-1/3,-z+1;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 2f (2/3,1/3,1/2;0,0,0) (2/3,1/3,-1/2;0,0,0) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions (BNS): 24o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 12n (x,-x,z;mx,mx,0) (x,2x,z;-mx,0,0) (-2x,-x,z;0,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) (x,-x,-z;-mx,-mx,0) (x,-x,z+1/2;-mx,-mx,0) (x,2x,z+1/2;mx,0,0) (-2x,-x,z+1/2;0,mx,0) (x,2x,-z+1/2;-mx,0,0) (-2x,-x,-z+1/2;0,-mx,0) (x,-x,-z+1/2;mx,mx,0) 12m (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x,x-y,3/4;mx,mx-my,0) (-x+y,y,3/4;-mx+my,my,0) (-y,-x,3/4;-my,-mx,0) (-x+y,-x,3/4;mx-my,mx,0) (x,y,3/4;-mx,-my,0) (-y,x-y,3/4;my,-mx+my,0) (-x+y,y,1/4;mx-my,-my,0) (-y,-x,1/4;my,mx,0) (x,x-y,1/4;-mx,-mx+my,0) 12l (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 6k (x,-x,1/4;mx,mx,0) (x,2x,1/4;-mx,0,0) (-2x,-x,1/4;0,-mx,0) (x,2x,3/4;mx,0,0) (-2x,-x,3/4;0,mx,0) (x,-x,3/4;-mx,-mx,0) 6j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) 4i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z+1/2;0,0,0) 4h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 2f (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 187.7.1445 P_2c-6'm'2 UNI: 188.220 P-6c2.1'_c[P-6m2] BNS: 188.220 P_c-6c2 OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,1) (mz|0,0,1) (-6z-1|0,0,1) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z+1;mx-my,mx,mz) (x,y,-z+1;-mx,-my,mz) (-y,x-y,-z+1;my,-mx+my,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 12n (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) (x,-x,-z;mx,-mx,-mz) (-2x,-x,-z+1;2mx,mx,mz) (x,-x,-z+1;-mx,mx,mz) (x,2x,-z+1;-mx,-2mx,mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (x,2x,z+1;-mx,-2mx,-mz) 12m (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x,x-y,-1/2;0,0,-mz) (-x+y,y,-1/2;0,0,-mz) (-y,-x,-1/2;0,0,-mz) (x,y,3/2;0,0,-mz) (-y,x-y,3/2;0,0,-mz) (-x+y,-x,3/2;0,0,-mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 12l (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) (-x+y,-x,1;mx-my,mx,0) (x,y,1;-mx,-my,0) (-y,x-y,1;my,-mx+my,0) (-x+y,y,1;mx-my,-my,0) (-y,-x,1;my,mx,0) (x,x-y,1;-mx,-mx+my,0) 6k (x,-x,1/2;0,0,mz) (x,2x,1/2;0,0,mz) (-2x,-x,1/2;0,0,mz) (x,2x,-1/2;0,0,-mz) (-2x,-x,-1/2;0,0,-mz) (x,-x,-1/2;0,0,-mz) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-2x,-x,1;2mx,mx,0) (x,-x,1;-mx,mx,0) (x,2x,1;-mx,-2mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (-1/3,1/3,z+1;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,-1/3,-z;0,0,-mz) (1/3,-1/3,-z+1;0,0,mz) (1/3,2/3,z+1;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,z+1;0,0,-mz) 2f (2/3,1/3,1/2;0,0,mz) (2/3,1/3,-1/2;0,0,-mz) 2e (2/3,1/3,0;0,0,0) (-1/3,-2/3,1;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (1/3,-1/3,-1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,0) (1/3,-1/3,1;0,0,0) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' Wyckoff positions (BNS): 24o (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) 12n (x,-x,z;mx,-mx,mz) (x,2x,z;mx,2mx,mz) (-2x,-x,z;-2mx,-mx,mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) (x,-x,-z;mx,-mx,-mz) (-2x,-x,-z+1/2;2mx,mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (x,2x,-z+1/2;-mx,-2mx,mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (x,2x,z+1/2;-mx,-2mx,-mz) 12m (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x,x-y,3/4;0,0,-mz) (-x+y,y,3/4;0,0,-mz) (-y,-x,3/4;0,0,-mz) (x,y,3/4;0,0,-mz) (-y,x-y,3/4;0,0,-mz) (-x+y,-x,3/4;0,0,-mz) (x,x-y,1/4;0,0,mz) (-x+y,y,1/4;0,0,mz) (-y,-x,1/4;0,0,mz) 12l (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) (-x+y,-x,1/2;mx-my,mx,0) (x,y,1/2;-mx,-my,0) (-y,x-y,1/2;my,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) (x,x-y,1/2;-mx,-mx+my,0) 6k (x,-x,1/4;0,0,mz) (x,2x,1/4;0,0,mz) (-2x,-x,1/4;0,0,mz) (x,2x,3/4;0,0,-mz) (-2x,-x,3/4;0,0,-mz) (x,-x,3/4;0,0,-mz) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-2x,-x,1/2;2mx,mx,0) (x,-x,1/2;-mx,mx,0) (x,2x,1/2;-mx,-2mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) 2f (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 188.1.1446 P-6c2 UNI: 188.215 P-6c2.1 BNS: 188.215 P-6c2 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 6k (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x,x-y,3/4;0,0,-mz) (-x+y,y,3/4;0,0,-mz) (-y,-x,3/4;0,0,-mz) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-2x,-x,1/2;2mx,mx,0) (x,-x,1/2;-mx,mx,0) (x,2x,1/2;-mx,-2mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) 2f (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 188.2.1447 P-6c21' UNI: 188.216 P-6c2.1' BNS: 188.216 P-6c21' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) (-x+y,-x,-z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) (-y,x-y,-z+1/2;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) 6k (x,y,1/4;0,0,0) (-y,x-y,1/4;0,0,0) (-x+y,-x,1/4;0,0,0) (x,x-y,3/4;0,0,0) (-x+y,y,3/4;0,0,0) (-y,-x,3/4;0,0,0) 6j (x,-x,0;0,0,0) (x,2x,0;0,0,0) (-2x,-x,0;0,0,0) (-2x,-x,1/2;0,0,0) (x,-x,1/2;0,0,0) (x,2x,1/2;0,0,0) 4i (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) 4h (1/3,2/3,z;0,0,0) (1/3,2/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (1/3,2/3,z+1/2;0,0,0) 4g (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,z+1/2;0,0,0) 2f (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 188.3.1448 P-6'c'2 UNI: 188.217 P-6'c'2 BNS: 188.217 P-6'c'2 Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6k (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x,x-y,3/4;mx,mx-my,0) (-x+y,y,3/4;-mx+my,my,0) (-y,-x,3/4;-my,-mx,0) 6j (x,-x,0;mx,-mx,0) (x,2x,0;mx,2mx,0) (-2x,-x,0;-2mx,-mx,0) (-2x,-x,1/2;-2mx,-mx,0) (x,-x,1/2;mx,-mx,0) (x,2x,1/2;mx,2mx,0) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 2f (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2e (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) 2d (1/3,2/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 188.4.1449 P-6'c2' UNI: 188.218 P-6'c2' BNS: 188.218 P-6'c2' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) 6k (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x,x-y,3/4;-mx,-mx+my,0) (-x+y,y,3/4;mx-my,-my,0) (-y,-x,3/4;my,mx,0) 6j (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (-2x,-x,1/2;0,-mx,-mz) (x,-x,1/2;mx,mx,-mz) (x,2x,1/2;-mx,0,-mz) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) 2f (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2e (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2d (1/3,2/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,0;0,0,mz) (1/3,2/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 188.5.1450 P-6c'2' UNI: 188.219 P-6c'2' BNS: 188.219 P-6c'2' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) 6k (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x,x-y,3/4;0,0,mz) (-x+y,y,3/4;0,0,mz) (-y,-x,3/4;0,0,mz) 6j (x,-x,0;mx,mx,mz) (x,2x,0;-mx,0,mz) (-2x,-x,0;0,-mx,mz) (-2x,-x,1/2;0,mx,mz) (x,-x,1/2;-mx,-mx,mz) (x,2x,1/2;mx,0,mz) 4i (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) 4g (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,mz) 2f (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2e (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2d (1/3,2/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (1/3,2/3,1/2;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 189.1.1451 P-62m UNI: 189.221 P-62m.1 BNS: 189.221 P-62m Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6k (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) 6j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) 6i (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,z;0,0,-mz) 3g (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 3f (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 189.2.1452 P-62m1' UNI: 189.222 P-62m.1' BNS: 189.222 P-62m1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (-x+y,-x,-z;0,0,0) (x,y,-z;0,0,0) (-y,x-y,-z;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 6k (x,y,1/2;0,0,0) (-y,x-y,1/2;0,0,0) (-x+y,-x,1/2;0,0,0) (x-y,-y,1/2;0,0,0) (y,x,1/2;0,0,0) (-x,-x+y,1/2;0,0,0) 6j (x,y,0;0,0,0) (-y,x-y,0;0,0,0) (-x+y,-x,0;0,0,0) (x-y,-y,0;0,0,0) (y,x,0;0,0,0) (-x,-x+y,0;0,0,0) 6i (x,0,z;0,0,0) (0,x,z;0,0,0) (-x,-x,z;0,0,0) (x,0,-z;0,0,0) (0,x,-z;0,0,0) (-x,-x,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) (2/3,1/3,z;0,0,0) 3g (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 3f (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 189.3.1453 P-6'2'm UNI: 189.223 P-6'2'm BNS: 189.223 P-6'2'm Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 6k (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) (-x,-x+y,1/2;mx,mx-my,0) 6j (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x-y,-y,0;-mx+my,my,0) (y,x,0;-my,-mx,0) (-x,-x+y,0;mx,mx-my,0) 6i (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,-z;mx,2mx,0) (0,x,-z;-2mx,-mx,0) (-x,-x,-z;mx,-mx,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,z;0,0,-mz) 3g (x,0,1/2;mx,2mx,0) (0,x,1/2;-2mx,-mx,0) (-x,-x,1/2;mx,-mx,0) 3f (x,0,0;mx,2mx,0) (0,x,0;-2mx,-mx,0) (-x,-x,0;mx,-mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 189.4.1454 P-6'2m' UNI: 189.224 P-6'2m' BNS: 189.224 P-6'2m' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6k (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) 6j (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) 6i (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,z;0,0,mz) 3g (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (-x,-x,1/2;-mx,-mx,0) 3f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 189.5.1455 P-62'm' UNI: 189.225 P-62'm' BNS: 189.225 P-62'm' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 6k (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) 6j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) 6i (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,0,-z;-mx,0,mz) (0,x,-z;0,-mx,mz) (-x,-x,-z;mx,mx,mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,z;0,0,mz) 3g (x,0,1/2;0,0,mz) (0,x,1/2;0,0,mz) (-x,-x,1/2;0,0,mz) 3f (x,0,0;0,0,mz) (0,x,0;0,0,mz) (-x,-x,0;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 189.6.1456 P_2c-62m UNI: 189.226 P-62m.1'_c[P-62m] BNS: 189.226 P_c-62m OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (-6z|0,0,1)' (mz|0,0,1)' (-6z-1|0,0,1)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (x,y,-z+1;mx,my,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 12k (x,y,1/2;mx,my,0) (-y,x-y,1/2;-my,mx-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (x-y,-y,-1/2;mx-my,-my,0) (y,x,-1/2;my,mx,0) (-x,-x+y,-1/2;-mx,-mx+my,0) (-x+y,-x,-1/2;mx-my,mx,0) (x,y,-1/2;-mx,-my,0) (-y,x-y,-1/2;my,-mx+my,0) (-x,-x+y,1/2;mx,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) 12j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,y,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) (x-y,-y,1;0,0,mz) (y,x,1;0,0,mz) (-x,-x+y,1;0,0,mz) 12i (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,0,z+1;-mx,-2mx,0) (0,x,z+1;2mx,mx,0) (-x,-x,z+1;-mx,mx,0) (x,0,-z+1;mx,2mx,0) (0,x,-z+1;-2mx,-mx,0) (-x,-x,-z+1;mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z;0,0,mz) (-1/3,1/3,z;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,mz) 6g (x,0,1/2;mx,2mx,0) (0,x,1/2;-2mx,-mx,0) (-x,-x,1/2;mx,-mx,0) (x,0,-1/2;-mx,-2mx,0) (0,x,-1/2;2mx,mx,0) (-x,-x,-1/2;-mx,mx,0) 6f (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) (x,0,1;0,0,0) (0,x,1;0,0,0) (-x,-x,1;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) (-1/3,1/3,1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,-2/3,0;0,0,-mz) (1/3,2/3,1;0,0,-mz) (-1/3,-2/3,1;0,0,mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,0) (mz|0,0,0) (-6z-1|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (x,y,-z;-mx,-my,mz) (-y,x-y,-z;my,-mx+my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x-y,-y,3/4;mx-my,-my,0) (y,x,3/4;my,mx,0) (-x,-x+y,3/4;-mx,-mx+my,0) (-x+y,-x,3/4;mx-my,mx,0) (x,y,3/4;-mx,-my,0) (-y,x-y,3/4;my,-mx+my,0) (-x,-x+y,1/4;mx,mx-my,0) (x-y,-y,1/4;-mx+my,my,0) (y,x,1/4;-my,-mx,0) 12j (x,y,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,y,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) 12i (x,0,z;mx,2mx,0) (0,x,z;-2mx,-mx,0) (-x,-x,z;mx,-mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,0,z+1/2;-mx,-2mx,0) (0,x,z+1/2;2mx,mx,0) (-x,-x,z+1/2;-mx,mx,0) (x,0,-z+1/2;mx,2mx,0) (0,x,-z+1/2;-2mx,-mx,0) (-x,-x,-z+1/2;mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 6g (x,0,1/4;mx,2mx,0) (0,x,1/4;-2mx,-mx,0) (-x,-x,1/4;mx,-mx,0) (x,0,3/4;-mx,-2mx,0) (0,x,3/4;2mx,mx,0) (-x,-x,3/4;-mx,mx,0) 6f (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,-x,1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 4c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) (1/3,2/3,1/2;0,0,-mz) (2/3,1/3,1/2;0,0,mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 189.7.1457 P_2c-6'2m' UNI: 190.232 P-62c.1'_c[P-62m] BNS: 190.232 P_c-62c OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,1) (mz|0,0,1) (-6z-1|0,0,1) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (3z|0,0,1)' (3z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z+1;mx-my,mx,mz) (x,y,-z+1;-mx,-my,mz) (-y,x-y,-z+1;my,-mx+my,mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,y,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (x-y,-y,-1/2;0,0,-mz) (y,x,-1/2;0,0,-mz) (-x,-x+y,-1/2;0,0,-mz) (x,y,3/2;0,0,-mz) (-y,x-y,3/2;0,0,-mz) (-x+y,-x,3/2;0,0,-mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) 12j (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) (-x+y,-x,1;mx-my,mx,0) (x,y,1;-mx,-my,0) (-y,x-y,1;my,-mx+my,0) (-x,-x+y,1;mx,mx-my,0) (x-y,-y,1;-mx+my,my,0) (y,x,1;-my,-mx,0) 12i (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,-x,-z+1;mx,mx,mz) (x,0,-z+1;-mx,0,mz) (0,x,-z+1;0,-mx,mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 8h (1/3,2/3,z;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z+1;0,0,mz) (-1/3,1/3,z+1;0,0,-mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z;0,0,-mz) (-1/3,1/3,z;0,0,mz) 6g (x,0,1/2;0,0,mz) (0,x,1/2;0,0,mz) (-x,-x,1/2;0,0,mz) (x,0,-1/2;0,0,-mz) (0,x,-1/2;0,0,-mz) (-x,-x,-1/2;0,0,-mz) 6f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,-x,1;mx,mx,0) (x,0,1;-mx,0,0) (0,x,1;0,-mx,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1;0,0,mz) (0,0,z+1;0,0,-mz) 4d (1/3,2/3,1/2;0,0,mz) (-1/3,-2/3,-1/2;0,0,-mz) (1/3,2/3,3/2;0,0,-mz) (-1/3,-2/3,1/2;0,0,mz) 4c (1/3,2/3,0;0,0,0) (-1/3,-2/3,0;0,0,0) (1/3,-1/3,1;0,0,0) (-1/3,1/3,1;0,0,0) 2b (0,0,1/2;0,0,mz) (0,0,-1/2;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (3z|0,0,1/2)' (3z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (-6z|0,0,0)' (mz|0,0,0)' (-6z-1|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 24l (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (x,y,-z;mx,my,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x-y,-y,3/4;0,0,-mz) (y,x,3/4;0,0,-mz) (-x,-x+y,3/4;0,0,-mz) (x,y,3/4;0,0,-mz) (-y,x-y,3/4;0,0,-mz) (-x+y,-x,3/4;0,0,-mz) (x-y,-y,1/4;0,0,mz) (y,x,1/4;0,0,mz) (-x,-x+y,1/4;0,0,mz) 12j (x,y,0;mx,my,0) (-y,x-y,0;-my,mx-my,0) (-x+y,-x,0;-mx+my,-mx,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) (-x+y,-x,1/2;mx-my,mx,0) (x,y,1/2;-mx,-my,0) (-y,x-y,1/2;my,-mx+my,0) (-x,-x+y,1/2;mx,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) 12i (x,0,z;mx,0,mz) (0,x,z;0,mx,mz) (-x,-x,z;-mx,-mx,mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,-x,-z+1/2;mx,mx,mz) (x,0,-z+1/2;-mx,0,mz) (0,x,-z+1/2;0,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,z;0,0,mz) 6g (x,0,1/4;0,0,mz) (0,x,1/4;0,0,mz) (-x,-x,1/4;0,0,mz) (x,0,3/4;0,0,-mz) (0,x,3/4;0,0,-mz) (-x,-x,3/4;0,0,-mz) 6f (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) 4d (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (1/3,2/3,3/4;0,0,-mz) (2/3,1/3,1/4;0,0,mz) 4c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 190.1.1458 P-62c UNI: 190.227 P-62c.1 BNS: 190.227 P-62c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6h (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x-y,-y,3/4;0,0,-mz) (y,x,3/4;0,0,-mz) (-x,-x+y,3/4;0,0,-mz) 6g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,-x,1/2;mx,mx,0) (x,0,1/2;-mx,0,0) (0,x,1/2;0,-mx,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 190.2.1459 P-62c1' UNI: 190.228 P-62c.1' BNS: 190.228 P-62c1' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (3z|0,0,0)' (3z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;0,0,0) (-y,x-y,z;0,0,0) (-x+y,-x,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (-x+y,-x,-z+1/2;0,0,0) (x,y,-z+1/2;0,0,0) (-y,x-y,-z+1/2;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 6h (x,y,1/4;0,0,0) (-y,x-y,1/4;0,0,0) (-x+y,-x,1/4;0,0,0) (x-y,-y,3/4;0,0,0) (y,x,3/4;0,0,0) (-x,-x+y,3/4;0,0,0) 6g (x,0,0;0,0,0) (0,x,0;0,0,0) (-x,-x,0;0,0,0) (-x,-x,1/2;0,0,0) (x,0,1/2;0,0,0) (0,x,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,z+1/2;0,0,0) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 190.3.1460 P-6'2'c UNI: 190.229 P-6'2'c BNS: 190.229 P-6'2'c Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 6h (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x-y,-y,3/4;-mx+my,my,0) (y,x,3/4;-my,-mx,0) (-x,-x+y,3/4;mx,mx-my,0) 6g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,-x,1/2;mx,-mx,-mz) (x,0,1/2;mx,2mx,-mz) (0,x,1/2;-2mx,-mx,-mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,-mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 190.4.1461 P-6'2c' UNI: 190.230 P-6'2c' BNS: 190.230 P-6'2c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (-6z|0,0,1/2)' (mz|0,0,1/2)' (-6z-1|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (x,y,-z+1/2;mx,my,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6h (x,y,1/4;mx,my,0) (-y,x-y,1/4;-my,mx-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (x-y,-y,3/4;mx-my,-my,0) (y,x,3/4;my,mx,0) (-x,-x+y,3/4;-mx,-mx+my,0) 6g (x,0,0;mx,0,0) (0,x,0;0,mx,0) (-x,-x,0;-mx,-mx,0) (-x,-x,1/2;-mx,-mx,0) (x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (0,0,z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 190.5.1462 P-62'c' UNI: 190.231 P-62'c' BNS: 190.231 P-62'c' Operators: (1|0,0,0) (3z|0,0,0) (3z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (-6z|0,0,1/2) (mz|0,0,1/2) (-6z-1|0,0,1/2) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12i (x,y,z;mx,my,mz) (-y,x-y,z;-my,mx-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (x,y,-z+1/2;-mx,-my,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 6h (x,y,1/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (x-y,-y,3/4;0,0,mz) (y,x,3/4;0,0,mz) (-x,-x+y,3/4;0,0,mz) 6g (x,0,0;mx,2mx,mz) (0,x,0;-2mx,-mx,mz) (-x,-x,0;mx,-mx,mz) (-x,-x,1/2;-mx,mx,mz) (x,0,1/2;-mx,-2mx,mz) (0,x,1/2;2mx,mx,mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,z+1/2;0,0,mz) 2d (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 191.1.1463 P6/mmm UNI: 191.233 P6/mmm.1 BNS: 191.233 P6/mmm Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12q (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 12p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) 12o (x,2x,z;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,-mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) 12n (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) 6m (x,2x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,1/2;0,0,0) (2x,x,1/2;0,0,0) 6l (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) (x,-x,0;0,0,0) (2x,x,0;0,0,0) 6k (x,0,1/2;0,0,0) (x,x,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,1/2;0,0,0) 6j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) 6i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.2.1464 P6/mmm1' UNI: 191.234 P6/mmm.1' BNS: 191.234 P6/mmm1' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 12q (x,y,1/2;0,0,0) (x-y,x,1/2;0,0,0) (-y,x-y,1/2;0,0,0) (-x,-y,1/2;0,0,0) (-x+y,-x,1/2;0,0,0) (y,-x+y,1/2;0,0,0) (x-y,-y,1/2;0,0,0) (y,x,1/2;0,0,0) (-x,-x+y,1/2;0,0,0) (x,x-y,1/2;0,0,0) (-x+y,y,1/2;0,0,0) (-y,-x,1/2;0,0,0) 12p (x,y,0;0,0,0) (x-y,x,0;0,0,0) (-y,x-y,0;0,0,0) (-x,-y,0;0,0,0) (-x+y,-x,0;0,0,0) (y,-x+y,0;0,0,0) (x-y,-y,0;0,0,0) (y,x,0;0,0,0) (-x,-x+y,0;0,0,0) (x,x-y,0;0,0,0) (-x+y,y,0;0,0,0) (-y,-x,0;0,0,0) 12o (x,2x,z;0,0,0) (-x,x,z;0,0,0) (-2x,-x,z;0,0,0) (-x,-2x,z;0,0,0) (x,-x,z;0,0,0) (2x,x,z;0,0,0) (-x,-2x,-z;0,0,0) (2x,x,-z;0,0,0) (-x,x,-z;0,0,0) (x,-x,-z;0,0,0) (x,2x,-z;0,0,0) (-2x,-x,-z;0,0,0) 12n (x,0,z;0,0,0) (x,x,z;0,0,0) (0,x,z;0,0,0) (-x,0,z;0,0,0) (-x,-x,z;0,0,0) (0,-x,z;0,0,0) (x,0,-z;0,0,0) (0,x,-z;0,0,0) (-x,-x,-z;0,0,0) (x,x,-z;0,0,0) (-x,0,-z;0,0,0) (0,-x,-z;0,0,0) 6m (x,2x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,1/2;0,0,0) (2x,x,1/2;0,0,0) 6l (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) (x,-x,0;0,0,0) (2x,x,0;0,0,0) 6k (x,0,1/2;0,0,0) (x,x,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,1/2;0,0,0) 6j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) 6i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.3.1465 P6/m'mm UNI: 191.235 P6/m'mm BNS: 191.235 P6/m'mm Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12q (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) (-x,-x+y,1/2;mx,mx-my,0) (x,x-y,1/2;-mx,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) 12p (x,y,0;mx,my,0) (x-y,x,0;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;my,-mx+my,0) (x-y,-y,0;-mx+my,my,0) (y,x,0;-my,-mx,0) (-x,-x+y,0;mx,mx-my,0) (x,x-y,0;-mx,-mx+my,0) (-x+y,y,0;mx-my,-my,0) (-y,-x,0;my,mx,0) 12o (x,2x,z;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,-mx,0) (-x,-2x,-z;-mx,0,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z;-mx,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) 12n (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,-z;mx,2mx,0) (0,x,-z;-2mx,-mx,0) (-x,-x,-z;mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 6m (x,2x,1/2;mx,0,0) (-x,x,1/2;mx,mx,0) (-2x,-x,1/2;0,mx,0) (-x,-2x,1/2;-mx,0,0) (x,-x,1/2;-mx,-mx,0) (2x,x,1/2;0,-mx,0) 6l (x,2x,0;mx,0,0) (-x,x,0;mx,mx,0) (-2x,-x,0;0,mx,0) (-x,-2x,0;-mx,0,0) (x,-x,0;-mx,-mx,0) (2x,x,0;0,-mx,0) 6k (x,0,1/2;mx,2mx,0) (x,x,1/2;-mx,mx,0) (0,x,1/2;-2mx,-mx,0) (-x,0,1/2;-mx,-2mx,0) (-x,-x,1/2;mx,-mx,0) (0,-x,1/2;2mx,mx,0) 6j (x,0,0;mx,2mx,0) (x,x,0;-mx,mx,0) (0,x,0;-2mx,-mx,0) (-x,0,0;-mx,-2mx,0) (-x,-x,0;mx,-mx,0) (0,-x,0;2mx,mx,0) 6i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.4.1466 P6'/mm'm UNI: 191.236 P6'/mm'm BNS: 191.236 P6'/mm'm Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,0) (-3z|0,0,0)' (mz|0,0,0) (-3z-1|0,0,0)' (-6z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12q (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,-mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 12p (x,y,0;0,0,mz) (x-y,x,0;0,0,-mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,-mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,-mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 12o (x,2x,z;mx,2mx,mz) (-x,x,z;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;mx,2mx,-mz) (x,-x,z;mx,-mx,mz) (2x,x,z;-2mx,-mx,-mz) (-x,-2x,-z;-mx,-2mx,-mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (x,-x,-z;-mx,mx,mz) (x,2x,-z;-mx,-2mx,mz) (-2x,-x,-z;2mx,mx,mz) 12n (x,0,z;mx,2mx,0) (x,x,z;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;-2mx,-mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 6m (x,2x,1/2;0,0,mz) (-x,x,1/2;0,0,-mz) (-2x,-x,1/2;0,0,mz) (-x,-2x,1/2;0,0,-mz) (x,-x,1/2;0,0,mz) (2x,x,1/2;0,0,-mz) 6l (x,2x,0;0,0,mz) (-x,x,0;0,0,-mz) (-2x,-x,0;0,0,mz) (-x,-2x,0;0,0,-mz) (x,-x,0;0,0,mz) (2x,x,0;0,0,-mz) 6k (x,0,1/2;0,0,0) (x,x,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,1/2;0,0,0) 6j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) 6i (1/2,0,z;mx,2mx,0) (1/2,1/2,z;mx,-mx,0) (0,1/2,z;-2mx,-mx,0) (1/2,0,-z;-mx,-2mx,0) (0,1/2,-z;2mx,mx,0) (1/2,1/2,-z;-mx,mx,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,-mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.5.1467 P6'/mmm' UNI: 191.237 P6'/mmm' BNS: 191.237 P6'/mmm' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0)' (-6z|0,0,0) (-3z|0,0,0)' (mz|0,0,0) (-3z-1|0,0,0)' (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12q (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,-mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 12p (x,y,0;0,0,mz) (x-y,x,0;0,0,-mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,-mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,-mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) 12o (x,2x,z;mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,mx,0) (-x,-2x,-z;-mx,0,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z;mx,mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) 12n (x,0,z;mx,0,mz) (x,x,z;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,mx,-mz) (x,0,-z;-mx,0,mz) (0,x,-z;0,-mx,mz) (-x,-x,-z;mx,mx,mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) 6m (x,2x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,1/2;0,0,0) (2x,x,1/2;0,0,0) 6l (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) (x,-x,0;0,0,0) (2x,x,0;0,0,0) 6k (x,0,1/2;0,0,mz) (x,x,1/2;0,0,-mz) (0,x,1/2;0,0,mz) (-x,0,1/2;0,0,-mz) (-x,-x,1/2;0,0,mz) (0,-x,1/2;0,0,-mz) 6j (x,0,0;0,0,mz) (x,x,0;0,0,-mz) (0,x,0;0,0,mz) (-x,0,0;0,0,-mz) (-x,-x,0;0,0,mz) (0,-x,0;0,0,-mz) 6i (1/2,0,z;mx,0,0) (1/2,1/2,z;-mx,-mx,0) (0,1/2,z;0,mx,0) (1/2,0,-z;-mx,0,0) (0,1/2,-z;0,-mx,0) (1/2,1/2,-z;mx,mx,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.6.1468 P6'/m'm'm UNI: 191.238 P6'/m'm'm BNS: 191.238 P6'/m'm'm Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,0)' (-3z|0,0,0) (mz|0,0,0)' (-3z-1|0,0,0) (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12q (x,y,1/2;mx,my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;-my,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) (-x,-x+y,1/2;mx,mx-my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) 12p (x,y,0;mx,my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;mx,my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;-my,mx-my,0) (x-y,-y,0;-mx+my,my,0) (y,x,0;-my,-mx,0) (-x,-x+y,0;mx,mx-my,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) 12o (x,2x,z;mx,2mx,mz) (-x,x,z;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;mx,2mx,-mz) (x,-x,z;mx,-mx,mz) (2x,x,z;-2mx,-mx,-mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) 12n (x,0,z;mx,2mx,0) (x,x,z;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;-2mx,-mx,0) (x,0,-z;mx,2mx,0) (0,x,-z;-2mx,-mx,0) (-x,-x,-z;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) 6m (x,2x,1/2;mx,2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,1/2;-2mx,-mx,0) 6l (x,2x,0;mx,2mx,0) (-x,x,0;mx,-mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,0;mx,-mx,0) (2x,x,0;-2mx,-mx,0) 6k (x,0,1/2;mx,2mx,0) (x,x,1/2;mx,-mx,0) (0,x,1/2;-2mx,-mx,0) (-x,0,1/2;mx,2mx,0) (-x,-x,1/2;mx,-mx,0) (0,-x,1/2;-2mx,-mx,0) 6j (x,0,0;mx,2mx,0) (x,x,0;mx,-mx,0) (0,x,0;-2mx,-mx,0) (-x,0,0;mx,2mx,0) (-x,-x,0;mx,-mx,0) (0,-x,0;-2mx,-mx,0) 6i (1/2,0,z;mx,2mx,0) (1/2,1/2,z;mx,-mx,0) (0,1/2,z;-2mx,-mx,0) (1/2,0,-z;mx,2mx,0) (0,1/2,-z;-2mx,-mx,0) (1/2,1/2,-z;mx,-mx,0) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;mx,2mx,0) (1/2,1/2,1/2;mx,-mx,0) (0,1/2,1/2;-2mx,-mx,0) 3f (1/2,0,0;mx,2mx,0) (1/2,1/2,0;mx,-mx,0) (0,1/2,0;-2mx,-mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.7.1469 P6'/m'mm' UNI: 191.239 P6'/m'mm' BNS: 191.239 P6'/m'mm' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0) (-6z|0,0,0)' (-3z|0,0,0) (mz|0,0,0)' (-3z-1|0,0,0) (-6z-1|0,0,0)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12q (x,y,1/2;mx,my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;-my,mx-my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,1/2;-mx,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) 12p (x,y,0;mx,my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;mx,my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;-my,mx-my,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) (x,x-y,0;-mx,-mx+my,0) (-x+y,y,0;mx-my,-my,0) (-y,-x,0;my,mx,0) 12o (x,2x,z;mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;-mx,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) 12n (x,0,z;mx,0,mz) (x,x,z;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,mx,-mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) 6m (x,2x,1/2;mx,0,0) (-x,x,1/2;-mx,-mx,0) (-2x,-x,1/2;0,mx,0) (-x,-2x,1/2;mx,0,0) (x,-x,1/2;-mx,-mx,0) (2x,x,1/2;0,mx,0) 6l (x,2x,0;mx,0,0) (-x,x,0;-mx,-mx,0) (-2x,-x,0;0,mx,0) (-x,-2x,0;mx,0,0) (x,-x,0;-mx,-mx,0) (2x,x,0;0,mx,0) 6k (x,0,1/2;mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,1/2;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,1/2;0,mx,0) 6j (x,0,0;mx,0,0) (x,x,0;-mx,-mx,0) (0,x,0;0,mx,0) (-x,0,0;mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,mx,0) 6i (1/2,0,z;mx,0,0) (1/2,1/2,z;-mx,-mx,0) (0,1/2,z;0,mx,0) (1/2,0,-z;mx,0,0) (0,1/2,-z;0,mx,0) (1/2,1/2,-z;-mx,-mx,0) 4h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) 3g (1/2,0,1/2;mx,0,0) (1/2,1/2,1/2;-mx,-mx,0) (0,1/2,1/2;0,mx,0) 3f (1/2,0,0;mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,0;0,mx,0) 2e (0,0,z;0,0,0) (0,0,-z;0,0,0) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.8.1470 P6/mm'm' UNI: 191.240 P6/mm'm' BNS: 191.240 P6/mm'm' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12q (x,y,1/2;0,0,mz) (x-y,x,1/2;0,0,mz) (-y,x-y,1/2;0,0,mz) (-x,-y,1/2;0,0,mz) (-x+y,-x,1/2;0,0,mz) (y,-x+y,1/2;0,0,mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 12p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 12o (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (x,-x,-z;-mx,mx,mz) (x,2x,-z;-mx,-2mx,mz) (-2x,-x,-z;2mx,mx,mz) 12n (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z;-mx,0,mz) (0,x,-z;0,-mx,mz) (-x,-x,-z;mx,mx,mz) (x,x,-z;-mx,-mx,mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) 6m (x,2x,1/2;0,0,mz) (-x,x,1/2;0,0,mz) (-2x,-x,1/2;0,0,mz) (-x,-2x,1/2;0,0,mz) (x,-x,1/2;0,0,mz) (2x,x,1/2;0,0,mz) 6l (x,2x,0;0,0,mz) (-x,x,0;0,0,mz) (-2x,-x,0;0,0,mz) (-x,-2x,0;0,0,mz) (x,-x,0;0,0,mz) (2x,x,0;0,0,mz) 6k (x,0,1/2;0,0,mz) (x,x,1/2;0,0,mz) (0,x,1/2;0,0,mz) (-x,0,1/2;0,0,mz) (-x,-x,1/2;0,0,mz) (0,-x,1/2;0,0,mz) 6j (x,0,0;0,0,mz) (x,x,0;0,0,mz) (0,x,0;0,0,mz) (-x,0,0;0,0,mz) (-x,-x,0;0,0,mz) (0,-x,0;0,0,mz) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) 3g (1/2,0,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) 3f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,mz) 2d (1/3,2/3,1/2;0,0,mz) (2/3,1/3,1/2;0,0,mz) 2c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) 1b (0,0,1/2;0,0,mz) 1a (0,0,0;0,0,mz) ---------- OG: 191.9.1471 P6/m'm'm' UNI: 191.241 P6/m'm'm' BNS: 191.241 P6/m'm'm' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12q (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) 12p (x,y,0;mx,my,0) (x-y,x,0;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;my,-mx+my,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) 12o (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (-x,-2x,-z;-mx,-2mx,-mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) 12n (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) 6m (x,2x,1/2;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,1/2;2mx,mx,0) 6l (x,2x,0;mx,2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,0;mx,-mx,0) (2x,x,0;2mx,mx,0) 6k (x,0,1/2;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,1/2;0,-mx,0) 6j (x,0,0;mx,0,0) (x,x,0;mx,mx,0) (0,x,0;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,0;0,-mx,0) 6i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) 4h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) 3g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 3f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) 2e (0,0,z;0,0,mz) (0,0,-z;0,0,-mz) 2d (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) 1b (0,0,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 191.10.1472 P_2c6/mmm UNI: 191.242 P6/mmm.1'_c[P6/mmm] BNS: 191.242 P_c6/mmm OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' (-1|0,0,1)' (-6z|0,0,1)' (-3z|0,0,1)' (mz|0,0,1)' (-3z-1|0,0,1)' (-6z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 48r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 24q (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,-1/2;mx-my,-my,0) (y,x,-1/2;my,mx,0) (-x,-x+y,-1/2;-mx,-mx+my,0) (x,x-y,-1/2;mx,mx-my,0) (-x+y,y,-1/2;-mx+my,my,0) (-y,-x,-1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,-1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,-1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) (x,x-y,1/2;-mx,-mx+my,0) (-x,-x+y,1/2;mx,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (x-y,x,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,1;0,0,-mz) (x-y,-y,1;0,0,mz) (y,x,1;0,0,mz) (-x,-x+y,1;0,0,mz) (x,x-y,1;0,0,mz) (-x+y,y,1;0,0,mz) (-y,-x,1;0,0,mz) 24o (x,2x,z;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,-mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) (x,2x,z+1;-mx,0,0) (-x,x,z+1;-mx,-mx,0) (-2x,-x,z+1;0,-mx,0) (-x,-2x,z+1;mx,0,0) (x,-x,z+1;mx,mx,0) (2x,x,z+1;0,mx,0) (-x,-2x,-z+1;-mx,0,0) (2x,x,-z+1;0,-mx,0) (-x,x,-z+1;mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (x,2x,-z+1;mx,0,0) (-2x,-x,-z+1;0,mx,0) 24n (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) (x,0,z+1;-mx,-2mx,0) (x,x,z+1;mx,-mx,0) (0,x,z+1;2mx,mx,0) (-x,0,z+1;mx,2mx,0) (-x,-x,z+1;-mx,mx,0) (0,-x,z+1;-2mx,-mx,0) (x,0,-z+1;mx,2mx,0) (0,x,-z+1;-2mx,-mx,0) (-x,-x,-z+1;mx,-mx,0) (x,x,-z+1;-mx,mx,0) (-x,0,-z+1;-mx,-2mx,0) (0,-x,-z+1;2mx,mx,0) 12m (x,2x,1/2;mx,0,0) (-x,x,1/2;mx,mx,0) (-2x,-x,1/2;0,mx,0) (-x,-2x,1/2;-mx,0,0) (x,-x,1/2;-mx,-mx,0) (2x,x,1/2;0,-mx,0) (-x,-2x,-1/2;mx,0,0) (2x,x,-1/2;0,mx,0) (-x,x,-1/2;-mx,-mx,0) (x,-x,-1/2;mx,mx,0) (x,2x,-1/2;-mx,0,0) (-2x,-x,-1/2;0,-mx,0) 12l (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) (x,-x,0;0,0,0) (2x,x,0;0,0,0) (x,2x,1;0,0,0) (-x,x,1;0,0,0) (-2x,-x,1;0,0,0) (-x,-2x,1;0,0,0) (x,-x,1;0,0,0) (2x,x,1;0,0,0) 12k (x,0,1/2;mx,2mx,0) (x,x,1/2;-mx,mx,0) (0,x,1/2;-2mx,-mx,0) (-x,0,1/2;-mx,-2mx,0) (-x,-x,1/2;mx,-mx,0) (0,-x,1/2;2mx,mx,0) (x,0,-1/2;-mx,-2mx,0) (0,x,-1/2;2mx,mx,0) (-x,-x,-1/2;-mx,mx,0) (x,x,-1/2;mx,-mx,0) (-x,0,-1/2;mx,2mx,0) (0,-x,-1/2;-2mx,-mx,0) 12j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) (x,0,1;0,0,0) (x,x,1;0,0,0) (0,x,1;0,0,0) (-x,0,1;0,0,0) (-x,-x,1;0,0,0) (0,-x,1;0,0,0) 12i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,0,z+1;0,0,0) (1/2,1/2,z+1;0,0,0) (0,1/2,z+1;0,0,0) (1/2,0,-z+1;0,0,0) (0,1/2,-z+1;0,0,0) (1/2,1/2,-z+1;0,0,0) 8h (1/3,2/3,z;0,0,0) (-1/3,1/3,z;0,0,0) (-1/3,-2/3,-z;0,0,0) (1/3,-1/3,-z;0,0,0) (1/3,2/3,z+1;0,0,0) (-1/3,1/3,z+1;0,0,0) (-1/3,-2/3,-z+1;0,0,0) (1/3,-1/3,-z+1;0,0,0) 6g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,-1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,-1/2;0,0,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,1;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,0) (-1/3,1/3,0;0,0,0) (1/3,2/3,1;0,0,0) (-1/3,1/3,1;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,1/2)' (-6z|0,0,1/2)' (-3z|0,0,1/2)' (mz|0,0,1/2)' (-3z-1|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 48r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 24q (x,y,1/4;mx,my,0) (x-y,x,1/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,1/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,1/4;my,-mx+my,0) (x-y,-y,3/4;mx-my,-my,0) (y,x,3/4;my,mx,0) (-x,-x+y,3/4;-mx,-mx+my,0) (x,x-y,3/4;mx,mx-my,0) (-x+y,y,3/4;-mx+my,my,0) (-y,-x,3/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,3/4;mx-my,mx,0) (y,-x+y,3/4;-my,mx-my,0) (x,y,3/4;-mx,-my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,3/4;my,-mx+my,0) (-x+y,y,1/4;mx-my,-my,0) (-y,-x,1/4;my,mx,0) (x,x-y,1/4;-mx,-mx+my,0) (-x,-x+y,1/4;mx,mx-my,0) (x-y,-y,1/4;-mx+my,my,0) (y,x,1/4;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1/2;0,0,-mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) (y,-x+y,1/2;0,0,-mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 24o (x,2x,z;mx,0,0) (-x,x,z;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z;0,-mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) (x,2x,z+1/2;-mx,0,0) (-x,x,z+1/2;-mx,-mx,0) (-2x,-x,z+1/2;0,-mx,0) (-x,-2x,z+1/2;mx,0,0) (x,-x,z+1/2;mx,mx,0) (2x,x,z+1/2;0,mx,0) (-x,-2x,-z+1/2;-mx,0,0) (2x,x,-z+1/2;0,-mx,0) (-x,x,-z+1/2;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (x,2x,-z+1/2;mx,0,0) (-2x,-x,-z+1/2;0,mx,0) 24n (x,0,z;mx,2mx,0) (x,x,z;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z;2mx,mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) (x,0,z+1/2;-mx,-2mx,0) (x,x,z+1/2;mx,-mx,0) (0,x,z+1/2;2mx,mx,0) (-x,0,z+1/2;mx,2mx,0) (-x,-x,z+1/2;-mx,mx,0) (0,-x,z+1/2;-2mx,-mx,0) (x,0,-z+1/2;mx,2mx,0) (0,x,-z+1/2;-2mx,-mx,0) (-x,-x,-z+1/2;mx,-mx,0) (x,x,-z+1/2;-mx,mx,0) (-x,0,-z+1/2;-mx,-2mx,0) (0,-x,-z+1/2;2mx,mx,0) 12m (x,2x,1/4;mx,0,0) (-x,x,1/4;mx,mx,0) (-2x,-x,1/4;0,mx,0) (-x,-2x,1/4;-mx,0,0) (x,-x,1/4;-mx,-mx,0) (2x,x,1/4;0,-mx,0) (-x,-2x,3/4;mx,0,0) (2x,x,3/4;0,mx,0) (-x,x,3/4;-mx,-mx,0) (x,-x,3/4;mx,mx,0) (x,2x,3/4;-mx,0,0) (-2x,-x,3/4;0,-mx,0) 12l (x,2x,0;0,0,0) (-x,x,0;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,0;0,0,0) (x,-x,0;0,0,0) (2x,x,0;0,0,0) (x,2x,1/2;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,1/2;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,1/2;0,0,0) (2x,x,1/2;0,0,0) 12k (x,0,1/4;mx,2mx,0) (x,x,1/4;-mx,mx,0) (0,x,1/4;-2mx,-mx,0) (-x,0,1/4;-mx,-2mx,0) (-x,-x,1/4;mx,-mx,0) (0,-x,1/4;2mx,mx,0) (x,0,3/4;-mx,-2mx,0) (0,x,3/4;2mx,mx,0) (-x,-x,3/4;-mx,mx,0) (x,x,3/4;mx,-mx,0) (-x,0,3/4;mx,2mx,0) (0,-x,3/4;-2mx,-mx,0) 12j (x,0,0;0,0,0) (x,x,0;0,0,0) (0,x,0;0,0,0) (-x,0,0;0,0,0) (-x,-x,0;0,0,0) (0,-x,0;0,0,0) (x,0,1/2;0,0,0) (x,x,1/2;0,0,0) (0,x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,1/2;0,0,0) 12i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,1/2,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) 8h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 6g (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 4c (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) (2/3,1/3,1/2;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 191.11.1473 P_2c6'/mm'm UNI: 193.262 P6_3/mcm.1'_c[P6/mmm] BNS: 193.262 P_c6_3/mcm OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1) (22|0,0,1) (23|0,0,1) (-1|0,0,1) (-6z|0,0,0) (-3z|0,0,1) (mz|0,0,0) (-3z-1|0,0,1) (-6z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (2x|0,0,1)' (2xy|0,0,1)' (2y|0,0,1)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,1)' (-3z|0,0,0)' (mz|0,0,1)' (-3z-1|0,0,0)' (-6z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1)' (m2|0,0,1)' (m3|0,0,1)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 48r (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1;mx,mx-my,-mz) (-x+y,y,-z+1;-mx+my,my,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z+1;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z+1;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z+1;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1;-mx+my,my,mz) (y,x,-z+1;-my,-mx,mz) (-x,-x+y,-z+1;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1;-mx,-mx+my,mz) (x-y,-y,z+1;mx-my,-my,mz) (y,x,z+1;my,mx,mz) 24q (x,y,1/2;mx,my,0) (x-y,x,3/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,3/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,3/2;my,-mx+my,0) (x-y,-y,-1/2;mx-my,-my,0) (y,x,-1/2;my,mx,0) (-x,-x+y,-1/2;-mx,-mx+my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) (-x+y,y,3/2;mx-my,-my,0) (-y,-x,3/2;my,mx,0) (x,x-y,3/2;-mx,-mx+my,0) (-x,-x+y,1/2;mx,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,1;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,1;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,1;0,0,mz) (x-y,-y,0;0,0,-mz) (y,x,0;0,0,-mz) (-x,-x+y,0;0,0,-mz) (x,x-y,1;0,0,-mz) (-x+y,y,1;0,0,-mz) (-y,-x,1;0,0,-mz) (x,y,1;0,0,-mz) (x-y,x,0;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,0;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,0;0,0,-mz) (x-y,-y,1;0,0,mz) (y,x,1;0,0,mz) (-x,-x+y,1;0,0,mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 24o (x,2x,z;mx,2mx,mz) (-x,x,z+1;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1;2mx,mx,mz) (-x,-2x,-z;-mx,-2mx,-mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (x,-x,-z+1;mx,-mx,-mz) (x,2x,-z+1;mx,2mx,-mz) (-2x,-x,-z+1;-2mx,-mx,-mz) (-x,-2x,-z+1;mx,2mx,mz) (x,-x,-z;-mx,mx,mz) (2x,x,-z+1;-2mx,-mx,mz) (x,2x,-z;-mx,-2mx,mz) (-x,x,-z+1;mx,-mx,mz) (-2x,-x,-z;2mx,mx,mz) (x,2x,z+1;-mx,-2mx,-mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (-x,x,z;mx,-mx,-mz) (-x,-2x,z;mx,2mx,-mz) (2x,x,z;-2mx,-mx,-mz) 24n (x,0,z;mx,2mx,0) (x,x,z+1;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1;2mx,mx,0) (x,0,-z;-mx,-2mx,0) (0,x,-z;2mx,mx,0) (-x,-x,-z;-mx,mx,0) (x,x,-z+1;mx,-mx,0) (-x,0,-z+1;mx,2mx,0) (0,-x,-z+1;-2mx,-mx,0) (x,0,z+1;-mx,-2mx,0) (x,x,z;mx,-mx,0) (0,x,z+1;2mx,mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z+1;-mx,mx,0) (0,-x,z;-2mx,-mx,0) (x,0,-z+1;mx,2mx,0) (0,x,-z+1;-2mx,-mx,0) (-x,-x,-z+1;mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 12m (x,2x,1/2;mx,2mx,0) (-x,x,3/2;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,3/2;-mx,-2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,3/2;2mx,mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,-1/2;-mx,mx,0) (2x,x,1/2;-2mx,-mx,0) (x,2x,-1/2;-mx,-2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,-1/2;2mx,mx,0) 12l (x,2x,0;0,0,mz) (-x,x,1;0,0,mz) (-2x,-x,0;0,0,mz) (-x,-2x,1;0,0,mz) (x,-x,0;0,0,mz) (2x,x,1;0,0,mz) (-x,-2x,0;0,0,-mz) (2x,x,0;0,0,-mz) (-x,x,0;0,0,-mz) (x,-x,1;0,0,-mz) (x,2x,1;0,0,-mz) (-2x,-x,1;0,0,-mz) 12k (x,0,1/2;mx,2mx,0) (x,x,3/2;-mx,mx,0) (0,x,1/2;-2mx,-mx,0) (-x,0,3/2;-mx,-2mx,0) (-x,-x,1/2;mx,-mx,0) (0,-x,3/2;2mx,mx,0) (x,0,-1/2;-mx,-2mx,0) (0,x,-1/2;2mx,mx,0) (-x,-x,-1/2;-mx,mx,0) (x,x,1/2;mx,-mx,0) (-x,0,1/2;mx,2mx,0) (0,-x,1/2;-2mx,-mx,0) 12j (x,0,0;0,0,0) (x,x,1;0,0,0) (0,x,0;0,0,0) (-x,0,1;0,0,0) (-x,-x,0;0,0,0) (0,-x,1;0,0,0) (x,0,1;0,0,0) (x,x,0;0,0,0) (0,x,1;0,0,0) (-x,0,0;0,0,0) (-x,-x,1;0,0,0) (0,-x,0;0,0,0) 12i (1/2,0,z;mx,2mx,0) (1/2,1/2,z+1;-mx,mx,0) (0,1/2,z;-2mx,-mx,0) (-1/2,0,z+1;-mx,-2mx,0) (-1/2,-1/2,z;mx,-mx,0) (0,-1/2,z+1;2mx,mx,0) (1/2,0,-z;-mx,-2mx,0) (0,1/2,-z;2mx,mx,0) (-1/2,-1/2,-z;-mx,mx,0) (1/2,1/2,-z+1;mx,-mx,0) (-1/2,0,-z+1;mx,2mx,0) (0,-1/2,-z+1;-2mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z+1;0,0,mz) (-1/3,-2/3,-z;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) (-1/3,-2/3,-z+1;0,0,mz) (1/3,-1/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z;0,0,-mz) 6g (1/2,0,1/2;mx,2mx,0) (1/2,1/2,3/2;-mx,mx,0) (0,1/2,1/2;-2mx,-mx,0) (-1/2,0,3/2;-mx,-2mx,0) (-1/2,-1/2,1/2;mx,-mx,0) (0,-1/2,3/2;2mx,mx,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (-1/2,-1/2,0;0,0,0) (0,-1/2,1;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,3/2;0,0,0) (-1/3,-2/3,1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,1/3,1;0,0,mz) (-1/3,-2/3,0;0,0,-mz) (1/3,-1/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,1/2)' (-6z|0,0,0)' (-3z|0,0,1/2)' (mz|0,0,0)' (-3z-1|0,0,1/2)' (-6z-1|0,0,0)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions (BNS): 48r (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 24q (x,y,0;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,0;mx,mx-my,0) (-x+y,y,0;-mx+my,my,0) (-y,-x,0;-my,-mx,0) (-x,-y,0;mx,my,0) (-x+y,-x,1/2;mx-my,mx,0) (y,-x+y,0;-my,mx-my,0) (x,y,1/2;-mx,-my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,1/2;my,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) (x,x-y,1/2;-mx,-mx+my,0) (-x,-x+y,0;mx,mx-my,0) (x-y,-y,0;-mx+my,my,0) (y,x,0;-my,-mx,0) 24p (x,y,3/4;0,0,mz) (x-y,x,1/4;0,0,mz) (-y,x-y,3/4;0,0,mz) (-x,-y,1/4;0,0,mz) (-x+y,-x,3/4;0,0,mz) (y,-x+y,1/4;0,0,mz) (x-y,-y,3/4;0,0,-mz) (y,x,3/4;0,0,-mz) (-x,-x+y,3/4;0,0,-mz) (x,x-y,1/4;0,0,-mz) (-x+y,y,1/4;0,0,-mz) (-y,-x,1/4;0,0,-mz) (x,y,1/4;0,0,-mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,-mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,1/4;0,0,mz) (y,x,1/4;0,0,mz) (-x,-x+y,1/4;0,0,mz) (x,x-y,3/4;0,0,mz) (-x+y,y,3/4;0,0,mz) (-y,-x,3/4;0,0,mz) 24o (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;2mx,mx,mz) (-x,-2x,-z+1/2;-mx,-2mx,-mz) (2x,x,-z+1/2;2mx,mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (x,2x,-z;mx,2mx,-mz) (-2x,-x,-z;-2mx,-mx,-mz) (-x,-2x,-z;mx,2mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (2x,x,-z;-2mx,-mx,mz) (x,2x,-z+1/2;-mx,-2mx,mz) (-x,x,-z;mx,-mx,mz) (-2x,-x,-z+1/2;2mx,mx,mz) (x,2x,z+1/2;-mx,-2mx,-mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,x,z;mx,-mx,-mz) (-x,-2x,z;mx,2mx,-mz) (2x,x,z;-2mx,-mx,-mz) 24n (x,0,z;mx,2mx,0) (x,x,z+1/2;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;2mx,mx,0) (x,0,-z+1/2;-mx,-2mx,0) (0,x,-z+1/2;2mx,mx,0) (-x,-x,-z+1/2;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) (x,0,z+1/2;-mx,-2mx,0) (x,x,z;mx,-mx,0) (0,x,z+1/2;2mx,mx,0) (-x,0,z;mx,2mx,0) (-x,-x,z+1/2;-mx,mx,0) (0,-x,z;-2mx,-mx,0) (x,0,-z;mx,2mx,0) (0,x,-z;-2mx,-mx,0) (-x,-x,-z;mx,-mx,0) (x,x,-z+1/2;-mx,mx,0) (-x,0,-z+1/2;-mx,-2mx,0) (0,-x,-z+1/2;2mx,mx,0) 12m (x,2x,0;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,0;mx,-mx,0) (2x,x,1/2;2mx,mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,1/2;-mx,mx,0) (2x,x,0;-2mx,-mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,0;mx,-mx,0) (-2x,-x,1/2;2mx,mx,0) 12l (x,2x,3/4;0,0,mz) (-x,x,1/4;0,0,mz) (-2x,-x,3/4;0,0,mz) (-x,-2x,1/4;0,0,mz) (x,-x,3/4;0,0,mz) (2x,x,1/4;0,0,mz) (-x,-2x,3/4;0,0,-mz) (2x,x,3/4;0,0,-mz) (-x,x,3/4;0,0,-mz) (x,-x,1/4;0,0,-mz) (x,2x,1/4;0,0,-mz) (-2x,-x,1/4;0,0,-mz) 12k (x,0,0;mx,2mx,0) (x,x,1/2;-mx,mx,0) (0,x,0;-2mx,-mx,0) (-x,0,1/2;-mx,-2mx,0) (-x,-x,0;mx,-mx,0) (0,-x,1/2;2mx,mx,0) (x,0,1/2;-mx,-2mx,0) (0,x,1/2;2mx,mx,0) (-x,-x,1/2;-mx,mx,0) (x,x,0;mx,-mx,0) (-x,0,0;mx,2mx,0) (0,-x,0;-2mx,-mx,0) 12j (x,0,3/4;0,0,0) (x,x,1/4;0,0,0) (0,x,3/4;0,0,0) (-x,0,1/4;0,0,0) (-x,-x,3/4;0,0,0) (0,-x,1/4;0,0,0) (x,0,1/4;0,0,0) (x,x,3/4;0,0,0) (0,x,1/4;0,0,0) (-x,0,3/4;0,0,0) (-x,-x,1/4;0,0,0) (0,-x,3/4;0,0,0) 12i (1/2,0,z;mx,2mx,0) (1/2,1/2,z+1/2;-mx,mx,0) (0,1/2,z;-2mx,-mx,0) (1/2,0,z+1/2;-mx,-2mx,0) (1/2,1/2,z;mx,-mx,0) (0,1/2,z+1/2;2mx,mx,0) (1/2,0,-z+1/2;-mx,-2mx,0) (0,1/2,-z+1/2;2mx,mx,0) (1/2,1/2,-z+1/2;-mx,mx,0) (1/2,1/2,-z;mx,-mx,0) (1/2,0,-z;mx,2mx,0) (0,1/2,-z;-2mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 6g (1/2,0,0;mx,2mx,0) (1/2,1/2,1/2;-mx,mx,0) (0,1/2,0;-2mx,-mx,0) (1/2,0,1/2;-mx,-2mx,0) (1/2,1/2,0;mx,-mx,0) (0,1/2,1/2;2mx,mx,0) 6f (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (1/3,2/3,1/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 191.12.1474 P_2c6'/mmm' UNI: 194.272 P6_3/mmc.1'_c[P6/mmm] BNS: 194.272 P_c6_3/mmc OG-BNS transformation: (0,0,1/2;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,1) (3z|0,0,0) (2z|0,0,1) (3z-1|0,0,0) (6z-1|0,0,1) (2x|0,0,1) (2xy|0,0,1) (2y|0,0,1) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,1) (-6z|0,0,0) (-3z|0,0,1) (mz|0,0,0) (-3z-1|0,0,1) (-6z-1|0,0,0) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (6z|0,0,0)' (3z|0,0,1)' (2z|0,0,0)' (3z-1|0,0,1)' (6z-1|0,0,0)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1)' (22|0,0,1)' (23|0,0,1)' (-1|0,0,0)' (-6z|0,0,1)' (-3z|0,0,0)' (mz|0,0,1)' (-3z-1|0,0,0)' (-6z-1|0,0,1)' (mx|0,0,1)' (mxy|0,0,1)' (my|0,0,1)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 48r (x,y,z;mx,my,mz) (x-y,x,z+1;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1;my,-mx+my,mz) (x-y,-y,-z+1;mx-my,-my,-mz) (y,x,-z+1;my,mx,-mz) (-x,-x+y,-z+1;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z+1;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z+1;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z+1;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1;-mx,-mx+my,mz) (-x+y,y,-z+1;mx-my,-my,mz) (-y,-x,-z+1;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x+y,y,z+1;-mx+my,my,mz) (-y,-x,z+1;-my,-mx,mz) (x,x-y,z+1;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 24q (x,y,1/2;mx,my,0) (x-y,x,3/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,3/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,3/2;my,-mx+my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,-1/2;mx,mx-my,0) (-x+y,y,-1/2;-mx+my,my,0) (-y,-x,-1/2;-my,-mx,0) (-x,-y,1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) (x,x-y,1/2;-mx,-mx+my,0) (-x,-x+y,3/2;mx,mx-my,0) (x-y,-y,3/2;-mx+my,my,0) (y,x,3/2;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,1;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,1;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,1;0,0,mz) (x-y,-y,1;0,0,-mz) (y,x,1;0,0,-mz) (-x,-x+y,1;0,0,-mz) (x,x-y,0;0,0,-mz) (-x+y,y,0;0,0,-mz) (-y,-x,0;0,0,-mz) (x,y,1;0,0,-mz) (x-y,x,0;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,0;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,0;0,0,-mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) (x,x-y,1;0,0,mz) (-x+y,y,1;0,0,mz) (-y,-x,1;0,0,mz) 24o (x,2x,z;mx,0,0) (-x,x,z+1;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1;0,-mx,0) (-x,-2x,-z+1;mx,0,0) (2x,x,-z+1;0,mx,0) (-x,x,-z+1;-mx,-mx,0) (x,-x,-z;mx,mx,0) (x,2x,-z;-mx,0,0) (-2x,-x,-z;0,-mx,0) (x,2x,z+1;-mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z+1;0,-mx,0) (-x,-2x,z;mx,0,0) (x,-x,z+1;mx,mx,0) (2x,x,z;0,mx,0) (-x,-2x,-z;-mx,0,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z+1;-mx,-mx,0) (x,2x,-z+1;mx,0,0) (-2x,-x,-z+1;0,mx,0) 24n (x,0,z;mx,0,mz) (x,x,z+1;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1;0,-mx,mz) (x,0,-z+1;mx,0,-mz) (0,x,-z+1;0,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) (-x,0,-z+1;mx,0,mz) (-x,-x,-z;mx,mx,mz) (0,-x,-z+1;0,mx,mz) (x,0,-z;-mx,0,mz) (x,x,-z+1;-mx,-mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z;mx,0,-mz) (0,-x,z;0,mx,-mz) (x,x,z;-mx,-mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 12m (x,2x,1/2;mx,0,0) (-x,x,3/2;mx,mx,0) (-2x,-x,1/2;0,mx,0) (-x,-2x,3/2;-mx,0,0) (x,-x,1/2;-mx,-mx,0) (2x,x,3/2;0,-mx,0) (-x,-2x,1/2;mx,0,0) (2x,x,1/2;0,mx,0) (-x,x,1/2;-mx,-mx,0) (x,-x,-1/2;mx,mx,0) (x,2x,-1/2;-mx,0,0) (-2x,-x,-1/2;0,-mx,0) 12l (x,2x,0;0,0,0) (-x,x,1;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,1;0,0,0) (x,-x,0;0,0,0) (2x,x,1;0,0,0) (x,2x,1;0,0,0) (-x,x,0;0,0,0) (-2x,-x,1;0,0,0) (-x,-2x,0;0,0,0) (x,-x,1;0,0,0) (2x,x,0;0,0,0) 12k (x,0,1/2;mx,0,0) (x,x,3/2;mx,mx,0) (0,x,1/2;0,mx,0) (-x,0,3/2;-mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,3/2;0,-mx,0) (-x,0,1/2;mx,0,0) (-x,-x,-1/2;mx,mx,0) (0,-x,1/2;0,mx,0) (x,0,-1/2;-mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,-1/2;0,-mx,0) 12j (x,0,0;0,0,mz) (x,x,1;0,0,mz) (0,x,0;0,0,mz) (-x,0,1;0,0,mz) (-x,-x,0;0,0,mz) (0,-x,1;0,0,mz) (x,0,1;0,0,-mz) (0,x,1;0,0,-mz) (-x,-x,1;0,0,-mz) (x,x,0;0,0,-mz) (-x,0,0;0,0,-mz) (0,-x,0;0,0,-mz) 12i (1/2,0,z;mx,0,0) (1/2,1/2,z+1;mx,mx,0) (0,1/2,z;0,mx,0) (-1/2,0,z+1;-mx,0,0) (-1/2,-1/2,z;-mx,-mx,0) (0,-1/2,z+1;0,-mx,0) (1/2,0,-z+1;mx,0,0) (0,1/2,-z+1;0,mx,0) (-1/2,-1/2,-z+1;-mx,-mx,0) (1/2,1/2,-z;mx,mx,0) (-1/2,0,-z;-mx,0,0) (0,-1/2,-z;0,-mx,0) 8h (1/3,2/3,z;0,0,0) (-1/3,1/3,z+1;0,0,0) (-1/3,-2/3,-z+1;0,0,0) (1/3,-1/3,-z;0,0,0) (1/3,2/3,z+1;0,0,0) (-1/3,1/3,z;0,0,0) (-1/3,-2/3,-z;0,0,0) (1/3,-1/3,-z+1;0,0,0) 6g (1/2,0,1/2;mx,0,0) (1/2,1/2,3/2;mx,mx,0) (0,1/2,1/2;0,mx,0) (-1/2,0,3/2;-mx,0,0) (-1/2,-1/2,1/2;-mx,-mx,0) (0,-1/2,3/2;0,-mx,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1;0,0,0) (0,1/2,0;0,0,0) (-1/2,0,1;0,0,0) (-1/2,-1/2,0;0,0,0) (0,-1/2,1;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1;0,0,0) (0,0,-z+1;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,3/2;0,0,0) (-1/3,-2/3,1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,0) (-1/3,1/3,1;0,0,0) (1/3,2/3,1;0,0,0) (-1/3,1/3,0;0,0,0) 2b (0,0,1/2;0,0,0) (0,0,3/2;0,0,0) 2a (0,0,0;0,0,0) (0,0,1;0,0,0) Operators (BNS): (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (6z|0,0,0)' (3z|0,0,1/2)' (2z|0,0,0)' (3z-1|0,0,1/2)' (6z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,1/2)' (-6z|0,0,0)' (-3z|0,0,1/2)' (mz|0,0,0)' (-3z-1|0,0,1/2)' (-6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 48r (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 24q (x,y,0;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,0;mx-my,-my,0) (y,x,0;my,mx,0) (-x,-x+y,0;-mx,-mx+my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,0;mx,my,0) (-x+y,-x,1/2;mx-my,mx,0) (y,-x+y,0;-my,mx-my,0) (x,y,1/2;-mx,-my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,1/2;my,-mx+my,0) (-x+y,y,0;mx-my,-my,0) (-y,-x,0;my,mx,0) (x,x-y,0;-mx,-mx+my,0) (-x,-x+y,1/2;mx,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) 24p (x,y,3/4;0,0,mz) (x-y,x,1/4;0,0,mz) (-y,x-y,3/4;0,0,mz) (-x,-y,1/4;0,0,mz) (-x+y,-x,3/4;0,0,mz) (y,-x+y,1/4;0,0,mz) (x-y,-y,1/4;0,0,-mz) (y,x,1/4;0,0,-mz) (-x,-x+y,1/4;0,0,-mz) (x,x-y,3/4;0,0,-mz) (-x+y,y,3/4;0,0,-mz) (-y,-x,3/4;0,0,-mz) (x,y,1/4;0,0,-mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,-mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,-mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,3/4;0,0,mz) (y,x,3/4;0,0,mz) (-x,-x+y,3/4;0,0,mz) (x,x-y,1/4;0,0,mz) (-x+y,y,1/4;0,0,mz) (-y,-x,1/4;0,0,mz) 24o (x,2x,z;mx,0,0) (-x,x,z+1/2;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1/2;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1/2;0,-mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (x,2x,-z+1/2;-mx,0,0) (-2x,-x,-z+1/2;0,-mx,0) (x,2x,z+1/2;-mx,0,0) (-x,x,z;-mx,-mx,0) (-2x,-x,z+1/2;0,-mx,0) (-x,-2x,z;mx,0,0) (x,-x,z+1/2;mx,mx,0) (2x,x,z;0,mx,0) (-x,-2x,-z+1/2;-mx,0,0) (2x,x,-z+1/2;0,-mx,0) (-x,x,-z+1/2;mx,mx,0) (x,-x,-z;-mx,-mx,0) (x,2x,-z;mx,0,0) (-2x,-x,-z;0,mx,0) 24n (x,0,z;mx,0,mz) (x,x,z+1/2;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,-mx,mz) (x,0,-z;mx,0,-mz) (0,x,-z;0,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (x,x,-z+1/2;mx,mx,-mz) (-x,0,-z+1/2;-mx,0,-mz) (0,-x,-z+1/2;0,-mx,-mz) (-x,0,-z;mx,0,mz) (-x,-x,-z+1/2;mx,mx,mz) (0,-x,-z;0,mx,mz) (x,0,-z+1/2;-mx,0,mz) (x,x,-z;-mx,-mx,mz) (0,x,-z+1/2;0,-mx,mz) (-x,0,z;mx,0,-mz) (0,-x,z;0,mx,-mz) (x,x,z;-mx,-mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 12m (x,2x,0;mx,0,0) (-x,x,1/2;mx,mx,0) (-2x,-x,0;0,mx,0) (-x,-2x,1/2;-mx,0,0) (x,-x,0;-mx,-mx,0) (2x,x,1/2;0,-mx,0) (-x,-2x,0;mx,0,0) (2x,x,0;0,mx,0) (-x,x,0;-mx,-mx,0) (x,-x,1/2;mx,mx,0) (x,2x,1/2;-mx,0,0) (-2x,-x,1/2;0,-mx,0) 12l (x,2x,3/4;0,0,0) (-x,x,1/4;0,0,0) (-2x,-x,3/4;0,0,0) (-x,-2x,1/4;0,0,0) (x,-x,3/4;0,0,0) (2x,x,1/4;0,0,0) (x,2x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,3/4;0,0,0) 12k (x,0,0;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1/2;mx,mx,0) (0,-x,0;0,mx,0) (x,0,1/2;-mx,0,0) (x,x,0;-mx,-mx,0) (0,x,1/2;0,-mx,0) 12j (x,0,3/4;0,0,mz) (x,x,1/4;0,0,mz) (0,x,3/4;0,0,mz) (-x,0,1/4;0,0,mz) (-x,-x,3/4;0,0,mz) (0,-x,1/4;0,0,mz) (x,0,1/4;0,0,-mz) (0,x,1/4;0,0,-mz) (-x,-x,1/4;0,0,-mz) (x,x,3/4;0,0,-mz) (-x,0,3/4;0,0,-mz) (0,-x,3/4;0,0,-mz) 12i (1/2,0,z;mx,0,0) (1/2,1/2,z+1/2;mx,mx,0) (0,1/2,z;0,mx,0) (1/2,0,z+1/2;-mx,0,0) (1/2,1/2,z;-mx,-mx,0) (0,1/2,z+1/2;0,-mx,0) (1/2,0,-z;mx,0,0) (0,1/2,-z;0,mx,0) (1/2,1/2,-z;-mx,-mx,0) (1/2,1/2,-z+1/2;mx,mx,0) (1/2,0,-z+1/2;-mx,0,0) (0,1/2,-z+1/2;0,-mx,0) 8h (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (1/3,2/3,-z;0,0,0) 6g (1/2,0,0;mx,0,0) (1/2,1/2,1/2;mx,mx,0) (0,1/2,0;0,mx,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,1/2;0,-mx,0) 6f (1/2,0,3/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) ---------- OG: 191.13.1475 P_2c6/mm'm' UNI: 192.252 P6/mcc.1'_c[P6/mmm] BNS: 192.252 P_c6/mcc OG-BNS transformation: (0,0,0;a,b,2c) Operators (OG): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1) (2xy|0,0,1) (2y|0,0,1) (21|0,0,1) (22|0,0,1) (23|0,0,1) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,1) (mxy|0,0,1) (my|0,0,1) (m1|0,0,1) (m2|0,0,1) (m3|0,0,1) (1|0,0,1)' (6z|0,0,1)' (3z|0,0,1)' (2z|0,0,1)' (3z-1|0,0,1)' (6z-1|0,0,1)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,1)' (-6z|0,0,1)' (-3z|0,0,1)' (mz|0,0,1)' (-3z-1|0,0,1)' (-6z-1|0,0,1)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,2)+ 48r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1;mx-my,-my,-mz) (y,x,-z+1;my,mx,-mz) (-x,-x+y,-z+1;-mx,-mx+my,-mz) (x,x-y,-z+1;mx,mx-my,-mz) (-x+y,y,-z+1;-mx+my,my,-mz) (-y,-x,-z+1;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1;mx-my,-my,-mz) (-y,-x,z+1;my,mx,-mz) (x,x-y,z+1;-mx,-mx+my,-mz) (-x,-x+y,z+1;mx,mx-my,-mz) (x-y,-y,z+1;-mx+my,my,-mz) (y,x,z+1;-my,-mx,-mz) (x,y,z+1;-mx,-my,-mz) (x-y,x,z+1;-mx+my,-mx,-mz) (-y,x-y,z+1;my,-mx+my,-mz) (-x,-y,z+1;mx,my,-mz) (-x+y,-x,z+1;mx-my,mx,-mz) (y,-x+y,z+1;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1;-mx,-my,-mz) (-x+y,-x,-z+1;-mx+my,-mx,-mz) (y,-x+y,-z+1;my,-mx+my,-mz) (x,y,-z+1;mx,my,-mz) (x-y,x,-z+1;mx-my,mx,-mz) (-y,x-y,-z+1;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 24q (x,y,1/2;mx,my,0) (x-y,x,1/2;mx-my,mx,0) (-y,x-y,1/2;-my,mx-my,0) (-x,-y,1/2;-mx,-my,0) (-x+y,-x,1/2;-mx+my,-mx,0) (y,-x+y,1/2;my,-mx+my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) (-x,-y,-1/2;mx,my,0) (-x+y,-x,-1/2;mx-my,mx,0) (y,-x+y,-1/2;-my,mx-my,0) (x,y,-1/2;-mx,-my,0) (x-y,x,-1/2;-mx+my,-mx,0) (-y,x-y,-1/2;my,-mx+my,0) (-x+y,y,3/2;mx-my,-my,0) (-y,-x,3/2;my,mx,0) (x,x-y,3/2;-mx,-mx+my,0) (-x,-x+y,3/2;mx,mx-my,0) (x-y,-y,3/2;-mx+my,my,0) (y,x,3/2;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,1;0,0,-mz) (y,x,1;0,0,-mz) (-x,-x+y,1;0,0,-mz) (x,x-y,1;0,0,-mz) (-x+y,y,1;0,0,-mz) (-y,-x,1;0,0,-mz) (x,y,1;0,0,-mz) (x-y,x,1;0,0,-mz) (-y,x-y,1;0,0,-mz) (-x,-y,1;0,0,-mz) (-x+y,-x,1;0,0,-mz) (y,-x+y,1;0,0,-mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 24o (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (-x,-2x,-z+1;-mx,-2mx,-mz) (2x,x,-z+1;2mx,mx,-mz) (-x,x,-z+1;-mx,mx,-mz) (x,-x,-z+1;mx,-mx,-mz) (x,2x,-z+1;mx,2mx,-mz) (-2x,-x,-z+1;-2mx,-mx,-mz) (-x,-2x,-z;mx,2mx,mz) (x,-x,-z;-mx,mx,mz) (2x,x,-z;-2mx,-mx,mz) (x,2x,-z;-mx,-2mx,mz) (-x,x,-z;mx,-mx,mz) (-2x,-x,-z;2mx,mx,mz) (x,2x,z+1;-mx,-2mx,-mz) (-2x,-x,z+1;2mx,mx,-mz) (x,-x,z+1;-mx,mx,-mz) (-x,x,z+1;mx,-mx,-mz) (-x,-2x,z+1;mx,2mx,-mz) (2x,x,z+1;-2mx,-mx,-mz) 24n (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z+1;mx,0,-mz) (0,x,-z+1;0,mx,-mz) (-x,-x,-z+1;-mx,-mx,-mz) (x,x,-z+1;mx,mx,-mz) (-x,0,-z+1;-mx,0,-mz) (0,-x,-z+1;0,-mx,-mz) (-x,0,-z;mx,0,mz) (-x,-x,-z;mx,mx,mz) (0,-x,-z;0,mx,mz) (x,0,-z;-mx,0,mz) (x,x,-z;-mx,-mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1;mx,0,-mz) (0,-x,z+1;0,mx,-mz) (x,x,z+1;-mx,-mx,-mz) (-x,-x,z+1;mx,mx,-mz) (x,0,z+1;-mx,0,-mz) (0,x,z+1;0,-mx,-mz) 12m (x,2x,1/2;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,1/2;2mx,mx,0) (-x,-2x,-1/2;mx,2mx,0) (x,-x,-1/2;-mx,mx,0) (2x,x,-1/2;-2mx,-mx,0) (x,2x,-1/2;-mx,-2mx,0) (-x,x,-1/2;mx,-mx,0) (-2x,-x,-1/2;2mx,mx,0) 12l (x,2x,0;0,0,mz) (-x,x,0;0,0,mz) (-2x,-x,0;0,0,mz) (-x,-2x,0;0,0,mz) (x,-x,0;0,0,mz) (2x,x,0;0,0,mz) (-x,-2x,1;0,0,-mz) (2x,x,1;0,0,-mz) (-x,x,1;0,0,-mz) (x,-x,1;0,0,-mz) (x,2x,1;0,0,-mz) (-2x,-x,1;0,0,-mz) 12k (x,0,1/2;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,1/2;0,-mx,0) (-x,0,-1/2;mx,0,0) (-x,-x,-1/2;mx,mx,0) (0,-x,-1/2;0,mx,0) (x,0,-1/2;-mx,0,0) (x,x,-1/2;-mx,-mx,0) (0,x,-1/2;0,-mx,0) 12j (x,0,0;0,0,mz) (x,x,0;0,0,mz) (0,x,0;0,0,mz) (-x,0,0;0,0,mz) (-x,-x,0;0,0,mz) (0,-x,0;0,0,mz) (x,0,1;0,0,-mz) (0,x,1;0,0,-mz) (-x,-x,1;0,0,-mz) (x,x,1;0,0,-mz) (-x,0,1;0,0,-mz) (0,-x,1;0,0,-mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1;0,0,-mz) (0,1/2,-z+1;0,0,-mz) (1/2,1/2,-z+1;0,0,-mz) (-1/2,0,-z;0,0,mz) (-1/2,-1/2,-z;0,0,mz) (0,-1/2,-z;0,0,mz) (-1/2,0,z+1;0,0,-mz) (0,-1/2,z+1;0,0,-mz) (-1/2,-1/2,z+1;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (-1/3,1/3,z;0,0,mz) (-1/3,-2/3,-z+1;0,0,-mz) (1/3,-1/3,-z+1;0,0,-mz) (-1/3,-2/3,-z;0,0,mz) (1/3,-1/3,-z;0,0,mz) (1/3,2/3,z+1;0,0,-mz) (-1/3,1/3,z+1;0,0,-mz) 6g (1/2,0,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,1/2;0,0,0) (-1/2,0,-1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) (0,-1/2,-1/2;0,0,0) 6f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1;0,0,-mz) (0,1/2,1;0,0,-mz) (1/2,1/2,1;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1;0,0,-mz) 4d (1/3,2/3,1/2;0,0,0) (-1/3,1/3,1/2;0,0,0) (-1/3,-2/3,-1/2;0,0,0) (1/3,-1/3,-1/2;0,0,0) 4c (1/3,2/3,0;0,0,mz) (-1/3,1/3,0;0,0,mz) (-1/3,-2/3,1;0,0,-mz) (1/3,-1/3,1;0,0,-mz) 2b (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1;0,0,-mz) Operators (BNS): (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,1/2)' (6z|0,0,1/2)' (3z|0,0,1/2)' (2z|0,0,1/2)' (3z-1|0,0,1/2)' (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,1/2)' (-6z|0,0,1/2)' (-3z|0,0,1/2)' (mz|0,0,1/2)' (-3z-1|0,0,1/2)' (-6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions (BNS): 48r (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) (x,y,z+1/2;-mx,-my,-mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z+1/2;my,-mx+my,-mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z+1/2;mx-my,mx,-mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z+1/2;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z+1/2;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z+1/2;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 24q (x,y,1/4;mx,my,0) (x-y,x,1/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,1/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,1/4;my,-mx+my,0) (x-y,-y,1/4;mx-my,-my,0) (y,x,1/4;my,mx,0) (-x,-x+y,1/4;-mx,-mx+my,0) (x,x-y,1/4;mx,mx-my,0) (-x+y,y,1/4;-mx+my,my,0) (-y,-x,1/4;-my,-mx,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,3/4;mx-my,mx,0) (y,-x+y,3/4;-my,mx-my,0) (x,y,3/4;-mx,-my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,3/4;my,-mx+my,0) (-x+y,y,3/4;mx-my,-my,0) (-y,-x,3/4;my,mx,0) (x,x-y,3/4;-mx,-mx+my,0) (-x,-x+y,3/4;mx,mx-my,0) (x-y,-y,3/4;-mx+my,my,0) (y,x,3/4;-my,-mx,0) 24p (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) (x,y,1/2;0,0,-mz) (x-y,x,1/2;0,0,-mz) (-y,x-y,1/2;0,0,-mz) (-x,-y,1/2;0,0,-mz) (-x+y,-x,1/2;0,0,-mz) (y,-x+y,1/2;0,0,-mz) (x-y,-y,0;0,0,mz) (y,x,0;0,0,mz) (-x,-x+y,0;0,0,mz) (x,x-y,0;0,0,mz) (-x+y,y,0;0,0,mz) (-y,-x,0;0,0,mz) 24o (x,2x,z;mx,2mx,mz) (-x,x,z;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z;2mx,mx,mz) (-x,-2x,-z+1/2;-mx,-2mx,-mz) (2x,x,-z+1/2;2mx,mx,-mz) (-x,x,-z+1/2;-mx,mx,-mz) (x,-x,-z+1/2;mx,-mx,-mz) (x,2x,-z+1/2;mx,2mx,-mz) (-2x,-x,-z+1/2;-2mx,-mx,-mz) (-x,-2x,-z;mx,2mx,mz) (x,-x,-z;-mx,mx,mz) (2x,x,-z;-2mx,-mx,mz) (x,2x,-z;-mx,-2mx,mz) (-x,x,-z;mx,-mx,mz) (-2x,-x,-z;2mx,mx,mz) (x,2x,z+1/2;-mx,-2mx,-mz) (-2x,-x,z+1/2;2mx,mx,-mz) (x,-x,z+1/2;-mx,mx,-mz) (-x,x,z+1/2;mx,-mx,-mz) (-x,-2x,z+1/2;mx,2mx,-mz) (2x,x,z+1/2;-2mx,-mx,-mz) 24n (x,0,z;mx,0,mz) (x,x,z;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z;0,-mx,mz) (x,0,-z+1/2;mx,0,-mz) (0,x,-z+1/2;0,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (x,x,-z+1/2;mx,mx,-mz) (-x,0,-z+1/2;-mx,0,-mz) (0,-x,-z+1/2;0,-mx,-mz) (-x,0,-z;mx,0,mz) (-x,-x,-z;mx,mx,mz) (0,-x,-z;0,mx,mz) (x,0,-z;-mx,0,mz) (x,x,-z;-mx,-mx,mz) (0,x,-z;0,-mx,mz) (-x,0,z+1/2;mx,0,-mz) (0,-x,z+1/2;0,mx,-mz) (x,x,z+1/2;-mx,-mx,-mz) (-x,-x,z+1/2;mx,mx,-mz) (x,0,z+1/2;-mx,0,-mz) (0,x,z+1/2;0,-mx,-mz) 12m (x,2x,1/4;mx,2mx,0) (-x,x,1/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,1/4;-mx,-2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,1/4;2mx,mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,3/4;-mx,mx,0) (2x,x,3/4;-2mx,-mx,0) (x,2x,3/4;-mx,-2mx,0) (-x,x,3/4;mx,-mx,0) (-2x,-x,3/4;2mx,mx,0) 12l (x,2x,0;0,0,mz) (-x,x,0;0,0,mz) (-2x,-x,0;0,0,mz) (-x,-2x,0;0,0,mz) (x,-x,0;0,0,mz) (2x,x,0;0,0,mz) (-x,-2x,1/2;0,0,-mz) (2x,x,1/2;0,0,-mz) (-x,x,1/2;0,0,-mz) (x,-x,1/2;0,0,-mz) (x,2x,1/2;0,0,-mz) (-2x,-x,1/2;0,0,-mz) 12k (x,0,1/4;mx,0,0) (x,x,1/4;mx,mx,0) (0,x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,1/4;0,-mx,0) (-x,0,3/4;mx,0,0) (-x,-x,3/4;mx,mx,0) (0,-x,3/4;0,mx,0) (x,0,3/4;-mx,0,0) (x,x,3/4;-mx,-mx,0) (0,x,3/4;0,-mx,0) 12j (x,0,0;0,0,mz) (x,x,0;0,0,mz) (0,x,0;0,0,mz) (-x,0,0;0,0,mz) (-x,-x,0;0,0,mz) (0,-x,0;0,0,mz) (x,0,1/2;0,0,-mz) (0,x,1/2;0,0,-mz) (-x,-x,1/2;0,0,-mz) (x,x,1/2;0,0,-mz) (-x,0,1/2;0,0,-mz) (0,-x,1/2;0,0,-mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 6g (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) 6f (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4d (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 4c (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) (1/3,2/3,1/2;0,0,-mz) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 192.1.1476 P6/mcc UNI: 192.243 P6/mcc.1 BNS: 192.243 P6/mcc Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12l (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 12k (x,2x,1/4;mx,2mx,0) (-x,x,1/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,1/4;-mx,-2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,1/4;2mx,mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,3/4;-mx,mx,0) (2x,x,3/4;-2mx,-mx,0) (x,2x,3/4;-mx,-2mx,0) (-x,x,3/4;mx,-mx,0) (-2x,-x,3/4;2mx,mx,0) 12j (x,0,1/4;mx,0,0) (x,x,1/4;mx,mx,0) (0,x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,1/4;0,-mx,0) (-x,0,3/4;mx,0,0) (-x,-x,3/4;mx,mx,0) (0,-x,3/4;0,mx,0) (x,0,3/4;-mx,0,0) (x,x,3/4;-mx,-mx,0) (0,x,3/4;0,-mx,0) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 6g (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,-mz) (0,1/2,1/2;0,0,-mz) (1/2,1/2,1/2;0,0,-mz) 6f (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,-mz) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) (1/3,2/3,1/2;0,0,-mz) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.2.1477 P6/mcc1' UNI: 192.244 P6/mcc.1' BNS: 192.244 P6/mcc1' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (6z|0,0,0)' (3z|0,0,0)' (2z|0,0,0)' (3z-1|0,0,0)' (6z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;0,0,0) (x-y,x,z;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z;0,0,0) (x-y,-y,-z+1/2;0,0,0) (y,x,-z+1/2;0,0,0) (-x,-x+y,-z+1/2;0,0,0) (x,x-y,-z+1/2;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 12l (x,y,0;0,0,0) (x-y,x,0;0,0,0) (-y,x-y,0;0,0,0) (-x,-y,0;0,0,0) (-x+y,-x,0;0,0,0) (y,-x+y,0;0,0,0) (x-y,-y,1/2;0,0,0) (y,x,1/2;0,0,0) (-x,-x+y,1/2;0,0,0) (x,x-y,1/2;0,0,0) (-x+y,y,1/2;0,0,0) (-y,-x,1/2;0,0,0) 12k (x,2x,1/4;0,0,0) (-x,x,1/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,1/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,3/4;0,0,0) (2x,x,3/4;0,0,0) (x,2x,3/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,3/4;0,0,0) 12j (x,0,1/4;0,0,0) (x,x,1/4;0,0,0) (0,x,1/4;0,0,0) (-x,0,1/4;0,0,0) (-x,-x,1/4;0,0,0) (0,-x,1/4;0,0,0) (-x,0,3/4;0,0,0) (-x,-x,3/4;0,0,0) (0,-x,3/4;0,0,0) (x,0,3/4;0,0,0) (x,x,3/4;0,0,0) (0,x,3/4;0,0,0) 12i (1/2,0,z;0,0,0) (1/2,1/2,z;0,0,0) (0,1/2,z;0,0,0) (1/2,0,-z+1/2;0,0,0) (0,1/2,-z+1/2;0,0,0) (1/2,1/2,-z+1/2;0,0,0) (1/2,0,-z;0,0,0) (1/2,1/2,-z;0,0,0) (0,1/2,-z;0,0,0) (1/2,0,z+1/2;0,0,0) (0,1/2,z+1/2;0,0,0) (1/2,1/2,z+1/2;0,0,0) 8h (1/3,2/3,z;0,0,0) (2/3,1/3,z;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z+1/2;0,0,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6f (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.3.1478 P6/m'cc UNI: 192.245 P6/m'cc BNS: 192.245 P6/m'cc Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12l (x,y,0;mx,my,0) (x-y,x,0;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;my,-mx+my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) (-x,-x+y,1/2;mx,mx-my,0) (x,x-y,1/2;-mx,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) 12k (x,2x,1/4;mx,0,mz) (-x,x,1/4;mx,mx,mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,1/4;-mx,0,mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,1/4;0,-mx,mz) (-x,-2x,3/4;-mx,0,-mz) (x,-x,3/4;-mx,-mx,-mz) (2x,x,3/4;0,-mx,-mz) (x,2x,3/4;mx,0,-mz) (-x,x,3/4;mx,mx,-mz) (-2x,-x,3/4;0,mx,-mz) 12j (x,0,1/4;mx,2mx,mz) (x,x,1/4;-mx,mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,1/4;2mx,mx,mz) (-x,0,3/4;-mx,-2mx,-mz) (-x,-x,3/4;mx,-mx,-mz) (0,-x,3/4;2mx,mx,-mz) (x,0,3/4;mx,2mx,-mz) (x,x,3/4;-mx,mx,-mz) (0,x,3/4;-2mx,-mx,-mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,-mz) (0,1/2,z+1/2;0,0,-mz) (1/2,1/2,z+1/2;0,0,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,-mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6f (1/2,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,mz) (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,-mz) (1/2,1/2,3/4;0,0,-mz) (0,1/2,3/4;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,-mz) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (1/3,2/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 192.4.1479 P6'/mc'c UNI: 192.246 P6'/mc'c BNS: 192.246 P6'/mc'c Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,0) (-3z|0,0,0)' (mz|0,0,0) (-3z-1|0,0,0)' (-6z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12l (x,y,0;0,0,mz) (x-y,x,0;0,0,-mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,-mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,-mz) (x-y,-y,1/2;0,0,-mz) (y,x,1/2;0,0,-mz) (-x,-x+y,1/2;0,0,-mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 12k (x,2x,1/4;mx,0,mz) (-x,x,1/4;-mx,-mx,-mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,1/4;mx,0,-mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,1/4;0,mx,-mz) (-x,-2x,3/4;-mx,0,-mz) (x,-x,3/4;mx,mx,mz) (2x,x,3/4;0,-mx,-mz) (x,2x,3/4;-mx,0,mz) (-x,x,3/4;mx,mx,-mz) (-2x,-x,3/4;0,-mx,mz) 12j (x,0,1/4;mx,0,0) (x,x,1/4;-mx,-mx,0) (0,x,1/4;0,mx,0) (-x,0,1/4;mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,3/4;-mx,0,0) (-x,-x,3/4;mx,mx,0) (0,-x,3/4;0,-mx,0) (x,0,3/4;-mx,0,0) (x,x,3/4;mx,mx,0) (0,x,3/4;0,-mx,0) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z+1/2;mx-my,-my,0) (0,1/2,-z+1/2;my,mx,0) (1/2,1/2,-z+1/2;-mx,-mx+my,0) (1/2,0,-z;-mx,-my,0) (1/2,1/2,-z;mx-my,mx,0) (0,1/2,-z;my,-mx+my,0) (1/2,0,z+1/2;-mx+my,my,0) (0,1/2,z+1/2;-my,-mx,0) (1/2,1/2,z+1/2;mx,mx-my,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6f (1/2,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,-mx,0) (0,1/2,1/4;0,mx,0) (1/2,0,3/4;-mx,0,0) (1/2,1/2,3/4;mx,mx,0) (0,1/2,3/4;0,-mx,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) (2/3,1/3,1/2;0,0,-mz) (1/3,2/3,1/2;0,0,mz) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) (2/3,1/3,3/4;0,0,-mz) (1/3,2/3,3/4;0,0,mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.5.1480 P6'/mcc' UNI: 192.247 P6'/mcc' BNS: 192.247 P6'/mcc' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0)' (-6z|0,0,0) (-3z|0,0,0)' (mz|0,0,0) (-3z-1|0,0,0)' (-6z-1|0,0,0) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12l (x,y,0;0,0,mz) (x-y,x,0;0,0,-mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,-mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,-mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) (x,x-y,1/2;0,0,-mz) (-x+y,y,1/2;0,0,-mz) (-y,-x,1/2;0,0,-mz) 12k (x,2x,1/4;mx,2mx,0) (-x,x,1/4;mx,-mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,1/4;mx,2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,1/4;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,3/4;-mx,mx,0) (2x,x,3/4;2mx,mx,0) (x,2x,3/4;-mx,-2mx,0) (-x,x,3/4;-mx,mx,0) (-2x,-x,3/4;2mx,mx,0) 12j (x,0,1/4;mx,2mx,mz) (x,x,1/4;mx,-mx,-mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,1/4;mx,2mx,-mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,1/4;-2mx,-mx,-mz) (-x,0,3/4;-mx,-2mx,-mz) (-x,-x,3/4;-mx,mx,mz) (0,-x,3/4;2mx,mx,-mz) (x,0,3/4;-mx,-2mx,mz) (x,x,3/4;-mx,mx,-mz) (0,x,3/4;2mx,mx,mz) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z+1/2;-mx+my,my,0) (0,1/2,-z+1/2;-my,-mx,0) (1/2,1/2,-z+1/2;mx,mx-my,0) (1/2,0,-z;-mx,-my,0) (1/2,1/2,-z;mx-my,mx,0) (0,1/2,-z;my,-mx+my,0) (1/2,0,z+1/2;mx-my,-my,0) (0,1/2,z+1/2;my,mx,0) (1/2,1/2,z+1/2;-mx,-mx+my,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6f (1/2,0,1/4;mx,2mx,0) (1/2,1/2,1/4;mx,-mx,0) (0,1/2,1/4;-2mx,-mx,0) (1/2,0,3/4;-mx,-2mx,0) (1/2,1/2,3/4;-mx,mx,0) (0,1/2,3/4;2mx,mx,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,-mz) (2/3,1/3,1/2;0,0,mz) (1/3,2/3,1/2;0,0,-mz) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.6.1481 P6'/m'c'c UNI: 192.248 P6'/m'c'c BNS: 192.248 P6'/m'c'c Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,0)' (-3z|0,0,0) (mz|0,0,0)' (-3z-1|0,0,0) (-6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12l (x,y,0;mx,my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;mx,my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;-my,mx-my,0) (x-y,-y,1/2;-mx+my,my,0) (y,x,1/2;-my,-mx,0) (-x,-x+y,1/2;mx,mx-my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) 12k (x,2x,1/4;mx,2mx,0) (-x,x,1/4;mx,-mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,1/4;mx,2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,1/4;-2mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,3/4;mx,-mx,0) (2x,x,3/4;-2mx,-mx,0) (x,2x,3/4;mx,2mx,0) (-x,x,3/4;mx,-mx,0) (-2x,-x,3/4;-2mx,-mx,0) 12j (x,0,1/4;mx,2mx,mz) (x,x,1/4;mx,-mx,-mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,1/4;mx,2mx,-mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,1/4;-2mx,-mx,-mz) (-x,0,3/4;mx,2mx,mz) (-x,-x,3/4;mx,-mx,-mz) (0,-x,3/4;-2mx,-mx,mz) (x,0,3/4;mx,2mx,-mz) (x,x,3/4;mx,-mx,mz) (0,x,3/4;-2mx,-mx,-mz) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z+1/2;-mx+my,my,0) (0,1/2,-z+1/2;-my,-mx,0) (1/2,1/2,-z+1/2;mx,mx-my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z;-mx+my,-mx,0) (0,1/2,-z;-my,mx-my,0) (1/2,0,z+1/2;-mx+my,my,0) (0,1/2,z+1/2;-my,-mx,0) (1/2,1/2,z+1/2;mx,mx-my,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) 6g (1/2,0,0;mx,my,0) (1/2,1/2,0;-mx+my,-mx,0) (0,1/2,0;-my,mx-my,0) (1/2,0,1/2;-mx+my,my,0) (0,1/2,1/2;-my,-mx,0) (1/2,1/2,1/2;mx,mx-my,0) 6f (1/2,0,1/4;mx,2mx,0) (1/2,1/2,1/4;mx,-mx,0) (0,1/2,1/4;-2mx,-mx,0) (1/2,0,3/4;mx,2mx,0) (1/2,1/2,3/4;mx,-mx,0) (0,1/2,3/4;-2mx,-mx,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.7.1482 P6'/m'cc' UNI: 192.249 P6'/m'cc' BNS: 192.249 P6'/m'cc' Operators: (1|0,0,0) (6z|0,0,0)' (3z|0,0,0) (2z|0,0,0)' (3z-1|0,0,0) (6z-1|0,0,0)' (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0) (-6z|0,0,0)' (-3z|0,0,0) (mz|0,0,0)' (-3z-1|0,0,0) (-6z-1|0,0,0)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;-my,mx-my,-mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12l (x,y,0;mx,my,0) (x-y,x,0;-mx+my,-mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;mx,my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;-my,mx-my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,1/2;-mx,-mx+my,0) (-x+y,y,1/2;mx-my,-my,0) (-y,-x,1/2;my,mx,0) 12k (x,2x,1/4;mx,0,mz) (-x,x,1/4;-mx,-mx,-mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,1/4;mx,0,-mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,1/4;0,mx,-mz) (-x,-2x,3/4;mx,0,mz) (x,-x,3/4;-mx,-mx,-mz) (2x,x,3/4;0,mx,mz) (x,2x,3/4;mx,0,-mz) (-x,x,3/4;-mx,-mx,mz) (-2x,-x,3/4;0,mx,-mz) 12j (x,0,1/4;mx,0,0) (x,x,1/4;-mx,-mx,0) (0,x,1/4;0,mx,0) (-x,0,1/4;mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,1/4;0,mx,0) (-x,0,3/4;mx,0,0) (-x,-x,3/4;-mx,-mx,0) (0,-x,3/4;0,mx,0) (x,0,3/4;mx,0,0) (x,x,3/4;-mx,-mx,0) (0,x,3/4;0,mx,0) 12i (1/2,0,z;mx,my,0) (1/2,1/2,z;-mx+my,-mx,0) (0,1/2,z;-my,mx-my,0) (1/2,0,-z+1/2;mx-my,-my,0) (0,1/2,-z+1/2;my,mx,0) (1/2,1/2,-z+1/2;-mx,-mx+my,0) (1/2,0,-z;mx,my,0) (1/2,1/2,-z;-mx+my,-mx,0) (0,1/2,-z;-my,mx-my,0) (1/2,0,z+1/2;mx-my,-my,0) (0,1/2,z+1/2;my,mx,0) (1/2,1/2,z+1/2;-mx,-mx+my,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z+1/2;0,0,mz) 6g (1/2,0,0;mx,my,0) (1/2,1/2,0;-mx+my,-mx,0) (0,1/2,0;-my,mx-my,0) (1/2,0,1/2;mx-my,-my,0) (0,1/2,1/2;my,mx,0) (1/2,1/2,1/2;-mx,-mx+my,0) 6f (1/2,0,1/4;mx,0,0) (1/2,1/2,1/4;-mx,-mx,0) (0,1/2,1/4;0,mx,0) (1/2,0,3/4;mx,0,0) (1/2,1/2,3/4;-mx,-mx,0) (0,1/2,3/4;0,mx,0) 4e (0,0,z;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,z+1/2;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) (2/3,1/3,3/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 192.8.1483 P6/mc'c' UNI: 192.250 P6/mc'c' BNS: 192.250 P6/mc'c' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0) (-6z|0,0,0) (-3z|0,0,0) (mz|0,0,0) (-3z-1|0,0,0) (-6z-1|0,0,0) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12l (x,y,0;0,0,mz) (x-y,x,0;0,0,mz) (-y,x-y,0;0,0,mz) (-x,-y,0;0,0,mz) (-x+y,-x,0;0,0,mz) (y,-x+y,0;0,0,mz) (x-y,-y,1/2;0,0,mz) (y,x,1/2;0,0,mz) (-x,-x+y,1/2;0,0,mz) (x,x-y,1/2;0,0,mz) (-x+y,y,1/2;0,0,mz) (-y,-x,1/2;0,0,mz) 12k (x,2x,1/4;mx,0,mz) (-x,x,1/4;mx,mx,mz) (-2x,-x,1/4;0,mx,mz) (-x,-2x,1/4;-mx,0,mz) (x,-x,1/4;-mx,-mx,mz) (2x,x,1/4;0,-mx,mz) (-x,-2x,3/4;mx,0,mz) (x,-x,3/4;mx,mx,mz) (2x,x,3/4;0,mx,mz) (x,2x,3/4;-mx,0,mz) (-x,x,3/4;-mx,-mx,mz) (-2x,-x,3/4;0,-mx,mz) 12j (x,0,1/4;mx,2mx,mz) (x,x,1/4;-mx,mx,mz) (0,x,1/4;-2mx,-mx,mz) (-x,0,1/4;-mx,-2mx,mz) (-x,-x,1/4;mx,-mx,mz) (0,-x,1/4;2mx,mx,mz) (-x,0,3/4;mx,2mx,mz) (-x,-x,3/4;-mx,mx,mz) (0,-x,3/4;-2mx,-mx,mz) (x,0,3/4;-mx,-2mx,mz) (x,x,3/4;mx,-mx,mz) (0,x,3/4;2mx,mx,mz) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,mz) (0,1/2,-z+1/2;0,0,mz) (1/2,1/2,-z+1/2;0,0,mz) (1/2,0,-z;0,0,mz) (1/2,1/2,-z;0,0,mz) (0,1/2,-z;0,0,mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 6g (1/2,0,0;0,0,mz) (1/2,1/2,0;0,0,mz) (0,1/2,0;0,0,mz) (1/2,0,1/2;0,0,mz) (0,1/2,1/2;0,0,mz) (1/2,1/2,1/2;0,0,mz) 6f (1/2,0,1/4;0,0,mz) (1/2,1/2,1/4;0,0,mz) (0,1/2,1/4;0,0,mz) (1/2,0,3/4;0,0,mz) (1/2,1/2,3/4;0,0,mz) (0,1/2,3/4;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,z+1/2;0,0,mz) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,0;0,0,mz) (2/3,1/3,1/2;0,0,mz) (1/3,2/3,1/2;0,0,mz) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 192.9.1484 P6/m'c'c' UNI: 192.251 P6/m'c'c' BNS: 192.251 P6/m'c'c' Operators: (1|0,0,0) (6z|0,0,0) (3z|0,0,0) (2z|0,0,0) (3z-1|0,0,0) (6z-1|0,0,0) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0)' (-6z|0,0,0)' (-3z|0,0,0)' (mz|0,0,0)' (-3z-1|0,0,0)' (-6z-1|0,0,0)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x-y,x,z;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12l (x,y,0;mx,my,0) (x-y,x,0;mx-my,mx,0) (-y,x-y,0;-my,mx-my,0) (-x,-y,0;-mx,-my,0) (-x+y,-x,0;-mx+my,-mx,0) (y,-x+y,0;my,-mx+my,0) (x-y,-y,1/2;mx-my,-my,0) (y,x,1/2;my,mx,0) (-x,-x+y,1/2;-mx,-mx+my,0) (x,x-y,1/2;mx,mx-my,0) (-x+y,y,1/2;-mx+my,my,0) (-y,-x,1/2;-my,-mx,0) 12k (x,2x,1/4;mx,2mx,0) (-x,x,1/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,1/4;-mx,-2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,1/4;2mx,mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,3/4;mx,-mx,0) (2x,x,3/4;2mx,mx,0) (x,2x,3/4;mx,2mx,0) (-x,x,3/4;-mx,mx,0) (-2x,-x,3/4;-2mx,-mx,0) 12j (x,0,1/4;mx,0,0) (x,x,1/4;mx,mx,0) (0,x,1/4;0,mx,0) (-x,0,1/4;-mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,1/4;0,-mx,0) (-x,0,3/4;-mx,0,0) (-x,-x,3/4;-mx,-mx,0) (0,-x,3/4;0,-mx,0) (x,0,3/4;mx,0,0) (x,x,3/4;mx,mx,0) (0,x,3/4;0,mx,0) 12i (1/2,0,z;0,0,mz) (1/2,1/2,z;0,0,mz) (0,1/2,z;0,0,mz) (1/2,0,-z+1/2;0,0,-mz) (0,1/2,-z+1/2;0,0,-mz) (1/2,1/2,-z+1/2;0,0,-mz) (1/2,0,-z;0,0,-mz) (1/2,1/2,-z;0,0,-mz) (0,1/2,-z;0,0,-mz) (1/2,0,z+1/2;0,0,mz) (0,1/2,z+1/2;0,0,mz) (1/2,1/2,z+1/2;0,0,mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) 6f (1/2,0,1/4;0,0,0) (1/2,1/2,1/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,0,3/4;0,0,0) (1/2,1/2,3/4;0,0,0) (0,1/2,3/4;0,0,0) 4e (0,0,z;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,z+1/2;0,0,mz) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.1.1485 P6_3/mcm UNI: 193.253 P6_3/mcm.1 BNS: 193.253 P6_3/mcm Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12k (x,0,z;mx,2mx,0) (x,x,z+1/2;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;2mx,mx,0) (x,0,-z+1/2;-mx,-2mx,0) (0,x,-z+1/2;2mx,mx,0) (-x,-x,-z+1/2;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,mz) (x-y,-y,1/4;0,0,-mz) (y,x,1/4;0,0,-mz) (-x,-x+y,1/4;0,0,-mz) (x,x-y,3/4;0,0,-mz) (-x+y,y,3/4;0,0,-mz) (-y,-x,3/4;0,0,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,0;mx,-mx,0) (2x,x,1/2;2mx,mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,1/2;-mx,mx,0) (2x,x,0;-2mx,-mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,0;mx,-mx,0) (-2x,-x,1/2;2mx,mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 6g (x,0,1/4;0,0,0) (x,x,3/4;0,0,0) (0,x,1/4;0,0,0) (-x,0,3/4;0,0,0) (-x,-x,1/4;0,0,0) (0,-x,3/4;0,0,0) 6f (1/2,0,0;mx,2mx,0) (1/2,1/2,1/2;-mx,mx,0) (0,1/2,0;-2mx,-mx,0) (1/2,0,1/2;-mx,-2mx,0) (1/2,1/2,0;mx,-mx,0) (0,1/2,1/2;2mx,mx,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) (1/3,2/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.2.1486 P6_3/mcm1' UNI: 193.254 P6_3/mcm.1' BNS: 193.254 P6_3/mcm1' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (x-y,-y,-z+1/2;0,0,0) (y,x,-z+1/2;0,0,0) (-x,-x+y,-z+1/2;0,0,0) (x,x-y,-z;0,0,0) (-x+y,y,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z+1/2;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z+1/2;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z+1/2;0,0,0) (-x+y,y,z+1/2;0,0,0) (-y,-x,z+1/2;0,0,0) (x,x-y,z+1/2;0,0,0) (-x,-x+y,z;0,0,0) (x-y,-y,z;0,0,0) (y,x,z;0,0,0) 12k (x,0,z;0,0,0) (x,x,z+1/2;0,0,0) (0,x,z;0,0,0) (-x,0,z+1/2;0,0,0) (-x,-x,z;0,0,0) (0,-x,z+1/2;0,0,0) (x,0,-z+1/2;0,0,0) (0,x,-z+1/2;0,0,0) (-x,-x,-z+1/2;0,0,0) (x,x,-z;0,0,0) (-x,0,-z;0,0,0) (0,-x,-z;0,0,0) 12j (x,y,1/4;0,0,0) (x-y,x,3/4;0,0,0) (-y,x-y,1/4;0,0,0) (-x,-y,3/4;0,0,0) (-x+y,-x,1/4;0,0,0) (y,-x+y,3/4;0,0,0) (x-y,-y,1/4;0,0,0) (y,x,1/4;0,0,0) (-x,-x+y,1/4;0,0,0) (x,x-y,3/4;0,0,0) (-x+y,y,3/4;0,0,0) (-y,-x,3/4;0,0,0) 12i (x,2x,0;0,0,0) (-x,x,1/2;0,0,0) (-2x,-x,0;0,0,0) (-x,-2x,1/2;0,0,0) (x,-x,0;0,0,0) (2x,x,1/2;0,0,0) (-x,-2x,0;0,0,0) (x,-x,1/2;0,0,0) (2x,x,0;0,0,0) (x,2x,1/2;0,0,0) (-x,x,0;0,0,0) (-2x,-x,1/2;0,0,0) 8h (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z+1/2;0,0,0) (1/3,2/3,-z;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) (1/3,2/3,z+1/2;0,0,0) (2/3,1/3,z;0,0,0) 6g (x,0,1/4;0,0,0) (x,x,3/4;0,0,0) (0,x,1/4;0,0,0) (-x,0,3/4;0,0,0) (-x,-x,1/4;0,0,0) (0,-x,3/4;0,0,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.3.1487 P6_3/m'cm UNI: 193.255 P6_3/m'cm BNS: 193.255 P6_3/m'cm Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12k (x,0,z;mx,2mx,0) (x,x,z+1/2;-mx,mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;-mx,-2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;2mx,mx,0) (x,0,-z+1/2;mx,2mx,0) (0,x,-z+1/2;-2mx,-mx,0) (-x,-x,-z+1/2;mx,-mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;my,-mx+my,0) (x-y,-y,1/4;-mx+my,my,0) (y,x,1/4;-my,-mx,0) (-x,-x+y,1/4;mx,mx-my,0) (x,x-y,3/4;-mx,-mx+my,0) (-x+y,y,3/4;mx-my,-my,0) (-y,-x,3/4;my,mx,0) 12i (x,2x,0;mx,0,mz) (-x,x,1/2;mx,mx,mz) (-2x,-x,0;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,0;-mx,-mx,mz) (2x,x,1/2;0,-mx,mz) (-x,-2x,0;-mx,0,-mz) (x,-x,1/2;-mx,-mx,-mz) (2x,x,0;0,-mx,-mz) (x,2x,1/2;mx,0,-mz) (-x,x,0;mx,mx,-mz) (-2x,-x,1/2;0,mx,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,-mz) 6g (x,0,1/4;mx,2mx,0) (x,x,3/4;-mx,mx,0) (0,x,1/4;-2mx,-mx,0) (-x,0,3/4;-mx,-2mx,0) (-x,-x,1/4;mx,-mx,0) (0,-x,3/4;2mx,mx,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,1/2;0,0,mz) (2/3,1/3,0;0,0,-mz) (1/3,2/3,1/2;0,0,-mz) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.4.1488 P6_3'/mc'm UNI: 193.256 P6_3'/mc'm BNS: 193.256 P6_3'/mc'm Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0)' (-6z|0,0,1/2) (-3z|0,0,0)' (mz|0,0,1/2) (-3z-1|0,0,0)' (-6z-1|0,0,1/2) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12k (x,0,z;mx,2mx,0) (x,x,z+1/2;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;-2mx,-mx,0) (x,0,-z+1/2;-mx,-2mx,0) (0,x,-z+1/2;2mx,mx,0) (-x,-x,-z+1/2;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,0,-z;-mx,-2mx,0) (0,-x,-z;2mx,mx,0) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,1/4;0,0,-mz) (y,x,1/4;0,0,-mz) (-x,-x+y,1/4;0,0,-mz) (x,x-y,3/4;0,0,mz) (-x+y,y,3/4;0,0,mz) (-y,-x,3/4;0,0,mz) 12i (x,2x,0;mx,0,mz) (-x,x,1/2;-mx,-mx,-mz) (-2x,-x,0;0,mx,mz) (-x,-2x,1/2;mx,0,-mz) (x,-x,0;-mx,-mx,mz) (2x,x,1/2;0,mx,-mz) (-x,-2x,0;-mx,0,-mz) (x,-x,1/2;mx,mx,mz) (2x,x,0;0,-mx,-mz) (x,2x,1/2;-mx,0,mz) (-x,x,0;mx,mx,-mz) (-2x,-x,1/2;0,-mx,mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,-mz) 6g (x,0,1/4;0,0,0) (x,x,3/4;0,0,0) (0,x,1/4;0,0,0) (-x,0,3/4;0,0,0) (-x,-x,1/4;0,0,0) (0,-x,3/4;0,0,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) (2/3,1/3,0;0,0,-mz) (1/3,2/3,1/2;0,0,mz) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (2/3,1/3,1/4;0,0,-mz) (1/3,2/3,3/4;0,0,mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.5.1489 P6_3'/mcm' UNI: 193.257 P6_3'/mcm' BNS: 193.257 P6_3'/mcm' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0)' (-6z|0,0,1/2) (-3z|0,0,0)' (mz|0,0,1/2) (-3z-1|0,0,0)' (-6z-1|0,0,1/2) (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (x,x,z+1/2;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,mx,-mz) (x,0,-z+1/2;-mx,0,mz) (0,x,-z+1/2;0,-mx,mz) (-x,-x,-z+1/2;mx,mx,mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,1/4;0,0,mz) (y,x,1/4;0,0,mz) (-x,-x+y,1/4;0,0,mz) (x,x-y,3/4;0,0,-mz) (-x+y,y,3/4;0,0,-mz) (-y,-x,3/4;0,0,-mz) 12i (x,2x,0;mx,2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,0;mx,-mx,0) (2x,x,1/2;-2mx,-mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1/2;-mx,mx,0) (2x,x,0;2mx,mx,0) (x,2x,1/2;-mx,-2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,1/2;2mx,mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,mz) 6g (x,0,1/4;0,0,mz) (x,x,3/4;0,0,-mz) (0,x,1/4;0,0,mz) (-x,0,3/4;0,0,-mz) (-x,-x,1/4;0,0,mz) (0,-x,3/4;0,0,-mz) 6f (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,-mz) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,-mz) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) ---------- OG: 193.6.1490 P6_3'/m'c'm UNI: 193.258 P6_3'/m'c'm BNS: 193.258 P6_3'/m'c'm Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0) (-6z|0,0,1/2)' (-3z|0,0,0) (mz|0,0,1/2)' (-3z-1|0,0,0) (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0) (m2|0,0,0) (m3|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;mx,mx-my,-mz) (x-y,-y,z;-mx+my,my,-mz) (y,x,z;-my,-mx,-mz) 12k (x,0,z;mx,2mx,0) (x,x,z+1/2;mx,-mx,0) (0,x,z;-2mx,-mx,0) (-x,0,z+1/2;mx,2mx,0) (-x,-x,z;mx,-mx,0) (0,-x,z+1/2;-2mx,-mx,0) (x,0,-z+1/2;mx,2mx,0) (0,x,-z+1/2;-2mx,-mx,0) (-x,-x,-z+1/2;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,0,-z;mx,2mx,0) (0,-x,-z;-2mx,-mx,0) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;-my,mx-my,0) (x-y,-y,1/4;-mx+my,my,0) (y,x,1/4;-my,-mx,0) (-x,-x+y,1/4;mx,mx-my,0) (x,x-y,3/4;mx,mx-my,0) (-x+y,y,3/4;-mx+my,my,0) (-y,-x,3/4;-my,-mx,0) 12i (x,2x,0;mx,2mx,0) (-x,x,1/2;mx,-mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,1/2;mx,2mx,0) (x,-x,0;mx,-mx,0) (2x,x,1/2;-2mx,-mx,0) (-x,-2x,0;mx,2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,0;-2mx,-mx,0) (x,2x,1/2;mx,2mx,0) (-x,x,0;mx,-mx,0) (-2x,-x,1/2;-2mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,-mz) 6g (x,0,1/4;mx,2mx,0) (x,x,3/4;mx,-mx,0) (0,x,1/4;-2mx,-mx,0) (-x,0,3/4;mx,2mx,0) (-x,-x,1/4;mx,-mx,0) (0,-x,3/4;-2mx,-mx,0) 6f (1/2,0,0;mx,2mx,0) (1/2,1/2,1/2;mx,-mx,0) (0,1/2,0;-2mx,-mx,0) (1/2,0,1/2;mx,2mx,0) (1/2,1/2,0;mx,-mx,0) (0,1/2,1/2;-2mx,-mx,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z+1/2;0,0,0) (0,0,-z;0,0,0) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.7.1491 P6_3'/m'cm' UNI: 193.259 P6_3'/m'cm' BNS: 193.259 P6_3'/m'cm' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0) (-6z|0,0,1/2)' (-3z|0,0,0) (mz|0,0,1/2)' (-3z-1|0,0,0) (-6z-1|0,0,1/2)' (mx|0,0,1/2) (mxy|0,0,1/2) (my|0,0,1/2) (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;mx-my,-my,-mz) (-y,-x,z+1/2;my,mx,-mz) (x,x-y,z+1/2;-mx,-mx+my,-mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (x,x,z+1/2;-mx,-mx,-mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;mx,0,-mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,mx,-mz) (x,0,-z+1/2;mx,0,-mz) (0,x,-z+1/2;0,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (x,x,-z;-mx,-mx,mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;-my,mx-my,0) (x-y,-y,1/4;mx-my,-my,0) (y,x,1/4;my,mx,0) (-x,-x+y,1/4;-mx,-mx+my,0) (x,x-y,3/4;-mx,-mx+my,0) (-x+y,y,3/4;mx-my,-my,0) (-y,-x,3/4;my,mx,0) 12i (x,2x,0;mx,0,mz) (-x,x,1/2;-mx,-mx,-mz) (-2x,-x,0;0,mx,mz) (-x,-2x,1/2;mx,0,-mz) (x,-x,0;-mx,-mx,mz) (2x,x,1/2;0,mx,-mz) (-x,-2x,0;mx,0,mz) (x,-x,1/2;-mx,-mx,-mz) (2x,x,0;0,mx,mz) (x,2x,1/2;mx,0,-mz) (-x,x,0;-mx,-mx,mz) (-2x,-x,1/2;0,mx,-mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,-mz) (2/3,1/3,z;0,0,mz) 6g (x,0,1/4;mx,0,0) (x,x,3/4;-mx,-mx,0) (0,x,1/4;0,mx,0) (-x,0,3/4;mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,3/4;0,mx,0) 6f (1/2,0,0;mx,0,mz) (1/2,1/2,1/2;-mx,-mx,-mz) (0,1/2,0;0,mx,mz) (1/2,0,1/2;mx,0,-mz) (1/2,1/2,0;-mx,-mx,mz) (0,1/2,1/2;0,mx,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,mz) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,1/2;0,0,-mz) (2/3,1/3,0;0,0,mz) (1/3,2/3,1/2;0,0,-mz) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 193.8.1492 P6_3/mc'm' UNI: 193.260 P6_3/mc'm' BNS: 193.260 P6_3/mc'm' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2)' (2xy|0,0,1/2)' (2y|0,0,1/2)' (21|0,0,0)' (22|0,0,0)' (23|0,0,0)' (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z+1/2;-mx+my,my,mz) (y,x,-z+1/2;-my,-mx,mz) (-x,-x+y,-z+1/2;mx,mx-my,mz) (x,x-y,-z;-mx,-mx+my,mz) (-x+y,y,-z;mx-my,-my,mz) (-y,-x,-z;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (x,x,z+1/2;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,-mx,mz) (x,0,-z+1/2;-mx,0,mz) (0,x,-z+1/2;0,-mx,mz) (-x,-x,-z+1/2;mx,mx,mz) (x,x,-z;-mx,-mx,mz) (-x,0,-z;mx,0,mz) (0,-x,-z;0,mx,mz) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,mz) (x-y,-y,1/4;0,0,mz) (y,x,1/4;0,0,mz) (-x,-x+y,1/4;0,0,mz) (x,x-y,3/4;0,0,mz) (-x+y,y,3/4;0,0,mz) (-y,-x,3/4;0,0,mz) 12i (x,2x,0;mx,0,mz) (-x,x,1/2;mx,mx,mz) (-2x,-x,0;0,mx,mz) (-x,-2x,1/2;-mx,0,mz) (x,-x,0;-mx,-mx,mz) (2x,x,1/2;0,-mx,mz) (-x,-2x,0;mx,0,mz) (x,-x,1/2;mx,mx,mz) (2x,x,0;0,mx,mz) (x,2x,1/2;-mx,0,mz) (-x,x,0;-mx,-mx,mz) (-2x,-x,1/2;0,-mx,mz) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,mz) (1/3,2/3,-z;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,mz) 6g (x,0,1/4;0,0,mz) (x,x,3/4;0,0,mz) (0,x,1/4;0,0,mz) (-x,0,3/4;0,0,mz) (-x,-x,1/4;0,0,mz) (0,-x,3/4;0,0,mz) 6f (1/2,0,0;mx,0,mz) (1/2,1/2,1/2;mx,mx,mz) (0,1/2,0;0,mx,mz) (1/2,0,1/2;-mx,0,mz) (1/2,1/2,0;-mx,-mx,mz) (0,1/2,1/2;0,-mx,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,mz) (0,0,-z;0,0,mz) 4d (1/3,2/3,0;0,0,mz) (2/3,1/3,1/2;0,0,mz) (2/3,1/3,0;0,0,mz) (1/3,2/3,1/2;0,0,mz) 4c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) (1/3,2/3,3/4;0,0,mz) 2b (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) 2a (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) ---------- OG: 193.9.1493 P6_3/m'c'm' UNI: 193.261 P6_3/m'c'm' BNS: 193.261 P6_3/m'c'm' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,1/2) (2xy|0,0,1/2) (2y|0,0,1/2) (21|0,0,0) (22|0,0,0) (23|0,0,0) (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,1/2)' (mxy|0,0,1/2)' (my|0,0,1/2)' (m1|0,0,0)' (m2|0,0,0)' (m3|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z+1/2;mx-my,-my,-mz) (y,x,-z+1/2;my,mx,-mz) (-x,-x+y,-z+1/2;-mx,-mx+my,-mz) (x,x-y,-z;mx,mx-my,-mz) (-x+y,y,-z;-mx+my,my,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z+1/2;-mx+my,my,mz) (-y,-x,z+1/2;-my,-mx,mz) (x,x-y,z+1/2;mx,mx-my,mz) (-x,-x+y,z;-mx,-mx+my,mz) (x-y,-y,z;mx-my,-my,mz) (y,x,z;my,mx,mz) 12k (x,0,z;mx,0,mz) (x,x,z+1/2;mx,mx,mz) (0,x,z;0,mx,mz) (-x,0,z+1/2;-mx,0,mz) (-x,-x,z;-mx,-mx,mz) (0,-x,z+1/2;0,-mx,mz) (x,0,-z+1/2;mx,0,-mz) (0,x,-z+1/2;0,mx,-mz) (-x,-x,-z+1/2;-mx,-mx,-mz) (x,x,-z;mx,mx,-mz) (-x,0,-z;-mx,0,-mz) (0,-x,-z;0,-mx,-mz) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;my,-mx+my,0) (x-y,-y,1/4;mx-my,-my,0) (y,x,1/4;my,mx,0) (-x,-x+y,1/4;-mx,-mx+my,0) (x,x-y,3/4;mx,mx-my,0) (-x+y,y,3/4;-mx+my,my,0) (-y,-x,3/4;-my,-mx,0) 12i (x,2x,0;mx,2mx,0) (-x,x,1/2;-mx,mx,0) (-2x,-x,0;-2mx,-mx,0) (-x,-2x,1/2;-mx,-2mx,0) (x,-x,0;mx,-mx,0) (2x,x,1/2;2mx,mx,0) (-x,-2x,0;-mx,-2mx,0) (x,-x,1/2;mx,-mx,0) (2x,x,0;2mx,mx,0) (x,2x,1/2;mx,2mx,0) (-x,x,0;-mx,mx,0) (-2x,-x,1/2;-2mx,-mx,0) 8h (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z+1/2;0,0,-mz) (1/3,2/3,-z;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) (1/3,2/3,z+1/2;0,0,mz) (2/3,1/3,z;0,0,mz) 6g (x,0,1/4;mx,0,0) (x,x,3/4;mx,mx,0) (0,x,1/4;0,mx,0) (-x,0,3/4;-mx,0,0) (-x,-x,1/4;-mx,-mx,0) (0,-x,3/4;0,-mx,0) 6f (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) 4d (1/3,2/3,0;0,0,0) (2/3,1/3,1/2;0,0,0) (2/3,1/3,0;0,0,0) (1/3,2/3,1/2;0,0,0) 4c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) (1/3,2/3,3/4;0,0,0) 2b (0,0,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) ---------- OG: 194.1.1494 P6_3/mmc UNI: 194.263 P6_3/mmc.1 BNS: 194.263 P6_3/mmc Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12k (x,2x,z;mx,0,0) (-x,x,z+1/2;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1/2;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1/2;0,-mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z+1/2;mx,mx,0) (x,2x,-z+1/2;-mx,0,0) (-2x,-x,-z+1/2;0,-mx,0) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,mz) (x-y,-y,3/4;0,0,-mz) (y,x,3/4;0,0,-mz) (-x,-x+y,3/4;0,0,-mz) (x,x-y,1/4;0,0,-mz) (-x+y,y,1/4;0,0,-mz) (-y,-x,1/4;0,0,-mz) 12i (x,0,0;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;mx,0,0) (-x,-x,1/2;mx,mx,0) (0,-x,0;0,mx,0) (x,0,1/2;-mx,0,0) (x,x,0;-mx,-mx,0) (0,x,1/2;0,-mx,0) 6h (x,2x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,3/4;0,0,0) 6g (1/2,0,0;mx,0,0) (1/2,1/2,1/2;mx,mx,0) (0,1/2,0;0,mx,0) (1/2,0,1/2;-mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,1/2;0,-mx,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.2.1495 P6_3/mmc1' UNI: 194.264 P6_3/mmc.1' BNS: 194.264 P6_3/mmc1' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) (1|0,0,0)' (6z|0,0,1/2)' (3z|0,0,0)' (2z|0,0,1/2)' (3z-1|0,0,0)' (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;0,0,0) (x-y,x,z+1/2;0,0,0) (-y,x-y,z;0,0,0) (-x,-y,z+1/2;0,0,0) (-x+y,-x,z;0,0,0) (y,-x+y,z+1/2;0,0,0) (x-y,-y,-z;0,0,0) (y,x,-z;0,0,0) (-x,-x+y,-z;0,0,0) (x,x-y,-z+1/2;0,0,0) (-x+y,y,-z+1/2;0,0,0) (-y,-x,-z+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+y,-x,-z+1/2;0,0,0) (y,-x+y,-z;0,0,0) (x,y,-z+1/2;0,0,0) (x-y,x,-z;0,0,0) (-y,x-y,-z+1/2;0,0,0) (-x+y,y,z;0,0,0) (-y,-x,z;0,0,0) (x,x-y,z;0,0,0) (-x,-x+y,z+1/2;0,0,0) (x-y,-y,z+1/2;0,0,0) (y,x,z+1/2;0,0,0) 12k (x,2x,z;0,0,0) (-x,x,z+1/2;0,0,0) (-2x,-x,z;0,0,0) (-x,-2x,z+1/2;0,0,0) (x,-x,z;0,0,0) (2x,x,z+1/2;0,0,0) (-x,-2x,-z;0,0,0) (2x,x,-z;0,0,0) (-x,x,-z;0,0,0) (x,-x,-z+1/2;0,0,0) (x,2x,-z+1/2;0,0,0) (-2x,-x,-z+1/2;0,0,0) 12j (x,y,1/4;0,0,0) (x-y,x,3/4;0,0,0) (-y,x-y,1/4;0,0,0) (-x,-y,3/4;0,0,0) (-x+y,-x,1/4;0,0,0) (y,-x+y,3/4;0,0,0) (x-y,-y,3/4;0,0,0) (y,x,3/4;0,0,0) (-x,-x+y,3/4;0,0,0) (x,x-y,1/4;0,0,0) (-x+y,y,1/4;0,0,0) (-y,-x,1/4;0,0,0) 12i (x,0,0;0,0,0) (x,x,1/2;0,0,0) (0,x,0;0,0,0) (-x,0,1/2;0,0,0) (-x,-x,0;0,0,0) (0,-x,1/2;0,0,0) (-x,0,0;0,0,0) (-x,-x,1/2;0,0,0) (0,-x,0;0,0,0) (x,0,1/2;0,0,0) (x,x,0;0,0,0) (0,x,1/2;0,0,0) 6h (x,2x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,3/4;0,0,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.3.1496 P6_3/m'mc UNI: 194.265 P6_3/m'mc BNS: 194.265 P6_3/m'mc Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12k (x,2x,z;mx,0,0) (-x,x,z+1/2;mx,mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1/2;-mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1/2;0,-mx,0) (-x,-2x,-z;-mx,0,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z+1/2;-mx,-mx,0) (x,2x,-z+1/2;mx,0,0) (-2x,-x,-z+1/2;0,mx,0) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;my,-mx+my,0) (x-y,-y,3/4;-mx+my,my,0) (y,x,3/4;-my,-mx,0) (-x,-x+y,3/4;mx,mx-my,0) (x,x-y,1/4;-mx,-mx+my,0) (-x+y,y,1/4;mx-my,-my,0) (-y,-x,1/4;my,mx,0) 12i (x,0,0;mx,2mx,mz) (x,x,1/2;-mx,mx,mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;2mx,mx,mz) (-x,0,0;-mx,-2mx,-mz) (-x,-x,1/2;mx,-mx,-mz) (0,-x,0;2mx,mx,-mz) (x,0,1/2;mx,2mx,-mz) (x,x,0;-mx,mx,-mz) (0,x,1/2;-2mx,-mx,-mz) 6h (x,2x,1/4;mx,0,0) (-x,x,3/4;mx,mx,0) (-2x,-x,1/4;0,mx,0) (-x,-2x,3/4;-mx,0,0) (x,-x,1/4;-mx,-mx,0) (2x,x,3/4;0,-mx,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.4.1497 P6_3'/mm'c UNI: 194.266 P6_3'/mm'c BNS: 194.266 P6_3'/mm'c Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0)' (-6z|0,0,1/2) (-3z|0,0,0)' (mz|0,0,1/2) (-3z-1|0,0,0)' (-6z-1|0,0,1/2) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12k (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;mx,2mx,-mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;-2mx,-mx,-mz) (-x,-2x,-z;-mx,-2mx,-mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (x,-x,-z+1/2;-mx,mx,mz) (x,2x,-z+1/2;-mx,-2mx,mz) (-2x,-x,-z+1/2;2mx,mx,mz) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,3/4;0,0,-mz) (y,x,3/4;0,0,-mz) (-x,-x+y,3/4;0,0,-mz) (x,x-y,1/4;0,0,mz) (-x+y,y,1/4;0,0,mz) (-y,-x,1/4;0,0,mz) 12i (x,0,0;mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,0;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;-mx,0,0) (-x,-x,1/2;mx,mx,0) (0,-x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (x,x,0;mx,mx,0) (0,x,1/2;0,-mx,0) 6h (x,2x,1/4;0,0,mz) (-x,x,3/4;0,0,-mz) (-2x,-x,1/4;0,0,mz) (-x,-2x,3/4;0,0,-mz) (x,-x,1/4;0,0,mz) (2x,x,3/4;0,0,-mz) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,mz) 2d (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,-mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,-mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,-mz) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.5.1498 P6_3'/mmc' UNI: 194.267 P6_3'/mmc' BNS: 194.267 P6_3'/mmc' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0)' (-6z|0,0,1/2) (-3z|0,0,0)' (mz|0,0,1/2) (-3z-1|0,0,0)' (-6z-1|0,0,1/2) (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,2x,z;mx,0,0) (-x,x,z+1/2;-mx,-mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1/2;mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1/2;0,mx,0) (-x,-2x,-z;-mx,0,0) (2x,x,-z;0,-mx,0) (-x,x,-z;mx,mx,0) (x,-x,-z+1/2;mx,mx,0) (x,2x,-z+1/2;-mx,0,0) (-2x,-x,-z+1/2;0,-mx,0) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,-mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,-mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,-mz) (x-y,-y,3/4;0,0,mz) (y,x,3/4;0,0,mz) (-x,-x+y,3/4;0,0,mz) (x,x-y,1/4;0,0,-mz) (-x+y,y,1/4;0,0,-mz) (-y,-x,1/4;0,0,-mz) 12i (x,0,0;mx,2mx,mz) (x,x,1/2;mx,-mx,-mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;-2mx,-mx,-mz) (-x,0,0;-mx,-2mx,-mz) (-x,-x,1/2;-mx,mx,mz) (0,-x,0;2mx,mx,-mz) (x,0,1/2;-mx,-2mx,mz) (x,x,0;-mx,mx,-mz) (0,x,1/2;2mx,mx,mz) 6h (x,2x,1/4;0,0,0) (-x,x,3/4;0,0,0) (-2x,-x,1/4;0,0,0) (-x,-2x,3/4;0,0,0) (x,-x,1/4;0,0,0) (2x,x,3/4;0,0,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.6.1499 P6_3'/m'm'c UNI: 194.268 P6_3'/m'm'c BNS: 194.268 P6_3'/m'm'c Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0) (-6z|0,0,1/2)' (-3z|0,0,0) (mz|0,0,1/2)' (-3z-1|0,0,0) (-6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2) (m2|0,0,1/2) (m3|0,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;mx,mx-my,-mz) (x-y,-y,z+1/2;-mx+my,my,-mz) (y,x,z+1/2;-my,-mx,-mz) 12k (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;mx,-mx,-mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;mx,2mx,-mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;-2mx,-mx,-mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (x,-x,-z+1/2;mx,-mx,-mz) (x,2x,-z+1/2;mx,2mx,-mz) (-2x,-x,-z+1/2;-2mx,-mx,-mz) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;-my,mx-my,0) (x-y,-y,3/4;-mx+my,my,0) (y,x,3/4;-my,-mx,0) (-x,-x+y,3/4;mx,mx-my,0) (x,x-y,1/4;mx,mx-my,0) (-x+y,y,1/4;-mx+my,my,0) (-y,-x,1/4;-my,-mx,0) 12i (x,0,0;mx,2mx,mz) (x,x,1/2;mx,-mx,-mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;mx,2mx,-mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;-2mx,-mx,-mz) (-x,0,0;mx,2mx,mz) (-x,-x,1/2;mx,-mx,-mz) (0,-x,0;-2mx,-mx,mz) (x,0,1/2;mx,2mx,-mz) (x,x,0;mx,-mx,mz) (0,x,1/2;-2mx,-mx,-mz) 6h (x,2x,1/4;mx,2mx,0) (-x,x,3/4;mx,-mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,3/4;mx,2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,3/4;-2mx,-mx,0) 6g (1/2,0,0;mx,2mx,mz) (1/2,1/2,1/2;mx,-mx,-mz) (0,1/2,0;-2mx,-mx,mz) (1/2,0,1/2;mx,2mx,-mz) (1/2,1/2,0;mx,-mx,mz) (0,1/2,1/2;-2mx,-mx,-mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,-mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,-mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,-mz) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,-mz) ---------- OG: 194.7.1500 P6_3'/m'mc' UNI: 194.269 P6_3'/m'mc' BNS: 194.269 P6_3'/m'mc' Operators: (1|0,0,0) (6z|0,0,1/2)' (3z|0,0,0) (2z|0,0,1/2)' (3z-1|0,0,0) (6z-1|0,0,1/2)' (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0) (-6z|0,0,1/2)' (-3z|0,0,0) (mz|0,0,1/2)' (-3z-1|0,0,0) (-6z-1|0,0,1/2)' (mx|0,0,0) (mxy|0,0,0) (my|0,0,0) (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;-mx+my,-mx,-mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;mx,my,-mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;-my,mx-my,-mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z;mx-my,-my,-mz) (-y,-x,z;my,mx,-mz) (x,x-y,z;-mx,-mx+my,-mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,2x,z;mx,0,0) (-x,x,z+1/2;-mx,-mx,0) (-2x,-x,z;0,mx,0) (-x,-2x,z+1/2;mx,0,0) (x,-x,z;-mx,-mx,0) (2x,x,z+1/2;0,mx,0) (-x,-2x,-z;mx,0,0) (2x,x,-z;0,mx,0) (-x,x,-z;-mx,-mx,0) (x,-x,-z+1/2;-mx,-mx,0) (x,2x,-z+1/2;mx,0,0) (-2x,-x,-z+1/2;0,mx,0) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;-mx+my,-mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;mx,my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;-my,mx-my,0) (x-y,-y,3/4;mx-my,-my,0) (y,x,3/4;my,mx,0) (-x,-x+y,3/4;-mx,-mx+my,0) (x,x-y,1/4;-mx,-mx+my,0) (-x+y,y,1/4;mx-my,-my,0) (-y,-x,1/4;my,mx,0) 12i (x,0,0;mx,0,0) (x,x,1/2;-mx,-mx,0) (0,x,0;0,mx,0) (-x,0,1/2;mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,0;mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,0;0,mx,0) (x,0,1/2;mx,0,0) (x,x,0;-mx,-mx,0) (0,x,1/2;0,mx,0) 6h (x,2x,1/4;mx,0,0) (-x,x,3/4;-mx,-mx,0) (-2x,-x,1/4;0,mx,0) (-x,-2x,3/4;mx,0,0) (x,-x,1/4;-mx,-mx,0) (2x,x,3/4;0,mx,0) 6g (1/2,0,0;mx,0,0) (1/2,1/2,1/2;-mx,-mx,0) (0,1/2,0;0,mx,0) (1/2,0,1/2;mx,0,0) (1/2,1/2,0;-mx,-mx,0) (0,1/2,1/2;0,mx,0) 4f (1/3,2/3,z;0,0,0) (2/3,1/3,z+1/2;0,0,0) (2/3,1/3,-z;0,0,0) (1/3,2/3,-z+1/2;0,0,0) 4e (0,0,z;0,0,0) (0,0,z+1/2;0,0,0) (0,0,-z;0,0,0) (0,0,-z+1/2;0,0,0) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 194.8.1501 P6_3/mm'c' UNI: 194.270 P6_3/mm'c' BNS: 194.270 P6_3/mm'c' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0)' (2xy|0,0,0)' (2y|0,0,0)' (21|0,0,1/2)' (22|0,0,1/2)' (23|0,0,1/2)' (-1|0,0,0) (-6z|0,0,1/2) (-3z|0,0,0) (mz|0,0,1/2) (-3z-1|0,0,0) (-6z-1|0,0,1/2) (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;-mx+my,my,mz) (y,x,-z;-my,-mx,mz) (-x,-x+y,-z;mx,mx-my,mz) (x,x-y,-z+1/2;-mx,-mx+my,mz) (-x+y,y,-z+1/2;mx-my,-my,mz) (-y,-x,-z+1/2;my,mx,mz) (-x,-y,-z;mx,my,mz) (-x+y,-x,-z+1/2;mx-my,mx,mz) (y,-x+y,-z;-my,mx-my,mz) (x,y,-z+1/2;-mx,-my,mz) (x-y,x,-z;-mx+my,-mx,mz) (-y,x-y,-z+1/2;my,-mx+my,mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;2mx,mx,mz) (-x,-2x,-z;mx,2mx,mz) (2x,x,-z;-2mx,-mx,mz) (-x,x,-z;mx,-mx,mz) (x,-x,-z+1/2;-mx,mx,mz) (x,2x,-z+1/2;-mx,-2mx,mz) (-2x,-x,-z+1/2;2mx,mx,mz) 12j (x,y,1/4;0,0,mz) (x-y,x,3/4;0,0,mz) (-y,x-y,1/4;0,0,mz) (-x,-y,3/4;0,0,mz) (-x+y,-x,1/4;0,0,mz) (y,-x+y,3/4;0,0,mz) (x-y,-y,3/4;0,0,mz) (y,x,3/4;0,0,mz) (-x,-x+y,3/4;0,0,mz) (x,x-y,1/4;0,0,mz) (-x+y,y,1/4;0,0,mz) (-y,-x,1/4;0,0,mz) 12i (x,0,0;mx,2mx,mz) (x,x,1/2;-mx,mx,mz) (0,x,0;-2mx,-mx,mz) (-x,0,1/2;-mx,-2mx,mz) (-x,-x,0;mx,-mx,mz) (0,-x,1/2;2mx,mx,mz) (-x,0,0;mx,2mx,mz) (-x,-x,1/2;-mx,mx,mz) (0,-x,0;-2mx,-mx,mz) (x,0,1/2;-mx,-2mx,mz) (x,x,0;mx,-mx,mz) (0,x,1/2;2mx,mx,mz) 6h (x,2x,1/4;0,0,mz) (-x,x,3/4;0,0,mz) (-2x,-x,1/4;0,0,mz) (-x,-2x,3/4;0,0,mz) (x,-x,1/4;0,0,mz) (2x,x,3/4;0,0,mz) 6g (1/2,0,0;mx,2mx,mz) (1/2,1/2,1/2;-mx,mx,mz) (0,1/2,0;-2mx,-mx,mz) (1/2,0,1/2;-mx,-2mx,mz) (1/2,1/2,0;mx,-mx,mz) (0,1/2,1/2;2mx,mx,mz) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,mz) (1/3,2/3,-z+1/2;0,0,mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,mz) (0,0,-z+1/2;0,0,mz) 2d (1/3,2/3,3/4;0,0,mz) (2/3,1/3,1/4;0,0,mz) 2c (1/3,2/3,1/4;0,0,mz) (2/3,1/3,3/4;0,0,mz) 2b (0,0,1/4;0,0,mz) (0,0,3/4;0,0,mz) 2a (0,0,0;0,0,mz) (0,0,1/2;0,0,mz) ---------- OG: 194.9.1502 P6_3/m'm'c' UNI: 194.271 P6_3/m'm'c' BNS: 194.271 P6_3/m'm'c' Operators: (1|0,0,0) (6z|0,0,1/2) (3z|0,0,0) (2z|0,0,1/2) (3z-1|0,0,0) (6z-1|0,0,1/2) (2x|0,0,0) (2xy|0,0,0) (2y|0,0,0) (21|0,0,1/2) (22|0,0,1/2) (23|0,0,1/2) (-1|0,0,0)' (-6z|0,0,1/2)' (-3z|0,0,0)' (mz|0,0,1/2)' (-3z-1|0,0,0)' (-6z-1|0,0,1/2)' (mx|0,0,0)' (mxy|0,0,0)' (my|0,0,0)' (m1|0,0,1/2)' (m2|0,0,1/2)' (m3|0,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x-y,x,z+1/2;mx-my,mx,mz) (-y,x-y,z;-my,mx-my,mz) (-x,-y,z+1/2;-mx,-my,mz) (-x+y,-x,z;-mx+my,-mx,mz) (y,-x+y,z+1/2;my,-mx+my,mz) (x-y,-y,-z;mx-my,-my,-mz) (y,x,-z;my,mx,-mz) (-x,-x+y,-z;-mx,-mx+my,-mz) (x,x-y,-z+1/2;mx,mx-my,-mz) (-x+y,y,-z+1/2;-mx+my,my,-mz) (-y,-x,-z+1/2;-my,-mx,-mz) (-x,-y,-z;-mx,-my,-mz) (-x+y,-x,-z+1/2;-mx+my,-mx,-mz) (y,-x+y,-z;my,-mx+my,-mz) (x,y,-z+1/2;mx,my,-mz) (x-y,x,-z;mx-my,mx,-mz) (-y,x-y,-z+1/2;-my,mx-my,-mz) (-x+y,y,z;-mx+my,my,mz) (-y,-x,z;-my,-mx,mz) (x,x-y,z;mx,mx-my,mz) (-x,-x+y,z+1/2;-mx,-mx+my,mz) (x-y,-y,z+1/2;mx-my,-my,mz) (y,x,z+1/2;my,mx,mz) 12k (x,2x,z;mx,2mx,mz) (-x,x,z+1/2;-mx,mx,mz) (-2x,-x,z;-2mx,-mx,mz) (-x,-2x,z+1/2;-mx,-2mx,mz) (x,-x,z;mx,-mx,mz) (2x,x,z+1/2;2mx,mx,mz) (-x,-2x,-z;-mx,-2mx,-mz) (2x,x,-z;2mx,mx,-mz) (-x,x,-z;-mx,mx,-mz) (x,-x,-z+1/2;mx,-mx,-mz) (x,2x,-z+1/2;mx,2mx,-mz) (-2x,-x,-z+1/2;-2mx,-mx,-mz) 12j (x,y,1/4;mx,my,0) (x-y,x,3/4;mx-my,mx,0) (-y,x-y,1/4;-my,mx-my,0) (-x,-y,3/4;-mx,-my,0) (-x+y,-x,1/4;-mx+my,-mx,0) (y,-x+y,3/4;my,-mx+my,0) (x-y,-y,3/4;mx-my,-my,0) (y,x,3/4;my,mx,0) (-x,-x+y,3/4;-mx,-mx+my,0) (x,x-y,1/4;mx,mx-my,0) (-x+y,y,1/4;-mx+my,my,0) (-y,-x,1/4;-my,-mx,0) 12i (x,0,0;mx,0,0) (x,x,1/2;mx,mx,0) (0,x,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,-x,0;-mx,-mx,0) (0,-x,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x,-x,1/2;-mx,-mx,0) (0,-x,0;0,-mx,0) (x,0,1/2;mx,0,0) (x,x,0;mx,mx,0) (0,x,1/2;0,mx,0) 6h (x,2x,1/4;mx,2mx,0) (-x,x,3/4;-mx,mx,0) (-2x,-x,1/4;-2mx,-mx,0) (-x,-2x,3/4;-mx,-2mx,0) (x,-x,1/4;mx,-mx,0) (2x,x,3/4;2mx,mx,0) 6g (1/2,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 4f (1/3,2/3,z;0,0,mz) (2/3,1/3,z+1/2;0,0,mz) (2/3,1/3,-z;0,0,-mz) (1/3,2/3,-z+1/2;0,0,-mz) 4e (0,0,z;0,0,mz) (0,0,z+1/2;0,0,mz) (0,0,-z;0,0,-mz) (0,0,-z+1/2;0,0,-mz) 2d (1/3,2/3,3/4;0,0,0) (2/3,1/3,1/4;0,0,0) 2c (1/3,2/3,1/4;0,0,0) (2/3,1/3,3/4;0,0,0) 2b (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) 2a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 195.1.1503 P23 UNI: 195.1 P23.1 BNS: 195.1 P23 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 6i (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,1/2,-x;0,0,-mx) (1/2,-x,1/2;0,-mx,0) 6h (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 6g (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 6f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 4e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 195.2.1504 P231' UNI: 195.2 P23.1' BNS: 195.2 P231' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12j (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 6i (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,-x,1/2;0,0,0) 6h (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 6g (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 6f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 4e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 195.3.1505 P_F23 UNI: 196.6 F23.1'_I[P23] BNS: 196.6 F_S23 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 96j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) 48i (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,-1/2,-x;0,0,-mx) (1/2,-x,-1/2;0,-mx,0) (x+1,3/2,3/2;-mx,0,0) (-x+1,3/2,1/2;mx,0,0) (3/2,x+1,3/2;0,-mx,0) (3/2,3/2,x+1;0,0,-mx) (3/2,1/2,-x+1;0,0,mx) (3/2,-x+1,1/2;0,mx,0) 48h (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (0,x,1/2;mz,0,my) (1/2,0,x;my,mz,0) (-1/2,0,-x;-my,mz,0) (0,-x,1/2;-mz,0,my) (-1/2,0,x;-my,-mz,0) (0,-x,-1/2;mz,0,-my) (1/2,0,-x;my,-mz,0) (0,x,-1/2;-mz,0,-my) 48g (x,0,1/2;0,my,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (1/2,x,0;mz,0,my) (0,1/2,x;my,mz,0) (0,1/2,-x;-my,mz,0) (-1/2,-x,0;-mz,0,my) (0,-1/2,x;-my,-mz,0) (1/2,-x,0;mz,0,-my) (0,-1/2,-x;my,-mz,0) (-1/2,x,0;-mz,0,-my) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x+1,1,1;-mx,0,0) (-x+1,1,1;mx,0,0) (1,x+1,1;0,-mx,0) (1,1,x+1;0,0,-mx) (1,1,-x+1;0,0,mx) (1,-x+1,1;0,mx,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) 24d (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (0,1/2,0;0,mx,0) (0,0,1/2;0,0,mx) (0,0,-1/2;0,0,-mx) (0,-1/2,0;0,-mx,0) 24c (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) (1/2,0,1/2;0,mx,0) (1/2,1/2,0;0,0,mx) (1/2,-1/2,0;0,0,-mx) (1/2,0,-1/2;0,-mx,0) 8b (1/2,1/2,1/2;0,0,0) (3/2,3/2,3/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 48i (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (x,1/4,3/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (3/4,x+1/2,3/4;0,-mx,0) (3/4,3/4,x+1/2;0,0,-mx) (3/4,1/4,-x+1/2;0,0,mx) (3/4,-x+1/2,1/4;0,mx,0) 48h (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) (0,x,1/4;mz,0,my) (1/4,0,x;my,mz,0) (3/4,0,-x;-my,mz,0) (0,-x,1/4;-mz,0,my) (3/4,0,x;-my,-mz,0) (0,-x,3/4;mz,0,-my) (1/4,0,-x;my,-mz,0) (0,x,3/4;-mz,0,-my) 48g (x,0,1/4;0,my,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (0,1/4,-x;-my,mz,0) (3/4,-x,0;-mz,0,my) (0,3/4,x;-my,-mz,0) (1/4,-x,0;mz,0,-my) (0,3/4,-x;my,-mz,0) (3/4,x,0;-mz,0,-my) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (x,x,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) 24d (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) (0,1/4,0;0,mx,0) (0,0,1/4;0,0,mx) (0,0,3/4;0,0,-mx) (0,3/4,0;0,-mx,0) 24c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 196.1.1506 F23 UNI: 196.4 F23.1 BNS: 196.4 F23 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 24g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 24f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 16e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 4d (3/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 196.2.1507 F231' UNI: 196.5 F23.1' BNS: 196.5 F231' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 48h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 24g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 24f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 16e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 4d (3/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 197.1.1508 I23 UNI: 197.7 I23.1 BNS: 197.7 I23 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 24f (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 12e (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 12d (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 197.2.1509 I231' UNI: 197.8 I23.1' BNS: 197.8 I231' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 24f (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 12e (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 12d (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8c (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 197.3.1510 I_P23 UNI: 195.3 P23.1'_I[I23] BNS: 195.3 P_I23 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24f (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 12e (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,-1/2;0,-mx,0) (x+1/2,1,1/2;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 12d (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1,1;0,0,0) (1,1/2,1;0,0,0) (1,1,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 24f (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 12e (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,x+1/2,0;0,-mx,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 12d (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 198.1.1511 P2_13 UNI: 198.9 P2_13.1 BNS: 198.9 P2_13 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12b (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) 4a (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) ---------- OG: 198.2.1512 P2_131' UNI: 198.10 P2_13.1' BNS: 198.10 P2_131' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,1/2,1/2)' (3-xyz-1|1/2,0,1/2)' (3x-yz|1/2,0,1/2)' (3x-yz-1|1/2,1/2,0)' (3xy-z|1/2,1/2,0)' (3xy-z-1|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 12b (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z+1/2,-x+1/2;0,0,0) (-z+1/2,-x,y+1/2;0,0,0) (-y+1/2,-z,x+1/2;0,0,0) (z+1/2,-x+1/2,-y;0,0,0) (y+1/2,-z+1/2,-x;0,0,0) (-z,x+1/2,-y+1/2;0,0,0) 4a (x,x,x;0,0,0) (x+1/2,-x+1/2,-x;0,0,0) (-x,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x,x+1/2;0,0,0) ---------- OG: 199.1.1513 I2_13 UNI: 199.12 I2_13.1 BNS: 199.12 I2_13 Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 24c (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) 12b (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) 8a (x,x,x;mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) ---------- OG: 199.2.1514 I2_131' UNI: 199.13 I2_13.1' BNS: 199.13 I2_131' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 24c (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x;0,0,0) (-z,-x+1/2,y;0,0,0) (-y,-z+1/2,x;0,0,0) (z,-x,-y+1/2;0,0,0) (y,-z,-x+1/2;0,0,0) (-z+1/2,x,-y;0,0,0) 12b (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) (1/4,x,0;0,0,0) (0,1/4,x;0,0,0) (0,3/4,-x+1/2;0,0,0) (1/4,-x,1/2;0,0,0) 8a (x,x,x;0,0,0) (x,-x,-x+1/2;0,0,0) (-x+1/2,x,-x;0,0,0) (-x,-x+1/2,x;0,0,0) ---------- OG: 199.3.1515 I_P2_13 UNI: 198.11 P2_13.1'_I[I2_13] BNS: 198.11 P_I2_13 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1,1/2,1/2) (3-xyz-1|1/2,1,1/2) (3x-yz|1/2,1,1/2) (3x-yz-1|1/2,1/2,1) (3xy-z|1/2,1/2,1) (3xy-z-1|1,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1,y+1/2;-mz,-mx,my) (-y+1/2,-z+1,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y+1;mz,-mx,-my) (y+1/2,-z+1/2,-x+1;my,-mz,-mx) (-z+1,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 12b (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (1,3/4,-x+1/2;-my,mz,0) (1/4,-x+1,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,1;mz,0,-my) (1/2,1/4,-x+1;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 8a (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x+1;mx,-mx,-mx) (-x+1,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1,x+1/2;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (BNS): 24c (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 12b (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (0,3/4,-x+1/2;-my,mz,0) (1/4,-x,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,0;mz,0,-my) (1/2,1/4,-x;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 8a (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) ---------- OG: 200.1.1516 Pm-3 UNI: 200.14 Pm-3.1 BNS: 200.14 Pm-3 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 12k (1/2,y,z;mx,0,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (z,1/2,y;0,mx,0) (y,z,1/2;0,0,mx) (-y,z,1/2;0,0,-mx) (-z,1/2,y;0,-mx,0) (-y,-z,1/2;0,0,mx) (z,1/2,-y;0,-mx,0) (y,-z,1/2;0,0,-mx) (-z,1/2,-y;0,mx,0) 12j (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 8i (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) 6h (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,-x,1/2;0,0,0) 6g (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 6f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 6e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 200.2.1517 Pm-31' UNI: 200.15 Pm-3.1' BNS: 200.15 Pm-31' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 12k (1/2,y,z;0,0,0) (1/2,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) (z,1/2,y;0,0,0) (y,z,1/2;0,0,0) (-y,z,1/2;0,0,0) (-z,1/2,y;0,0,0) (-y,-z,1/2;0,0,0) (z,1/2,-y;0,0,0) (y,-z,1/2;0,0,0) (-z,1/2,-y;0,0,0) 12j (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 8i (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) 6h (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,-x,1/2;0,0,0) 6g (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 6f (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 6e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 200.3.1518 Pm'-3' UNI: 200.16 Pm'-3' BNS: 200.16 Pm'-3' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 12k (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,1/2;-my,mz,0) (-z,1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,1/2,-y;mz,0,-my) (y,-z,1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) 12j (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 8i (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) 6h (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,1/2,-x;0,0,-mx) (1/2,-x,1/2;0,-mx,0) 6g (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 6f (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 6e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 200.4.1519 P_Fm-3 UNI: 202.25 Fm-3.1'_I[Pm-3] BNS: 202.25 F_Sm-3 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' (-1|1,1,1)' (mx|1,1,1)' (my|1,1,1)' (mz|1,1,1)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|1,1,1)' (-3-xyz-1|1,1,1)' (-3x-yz|1,1,1)' (-3x-yz-1|1,1,1)' (-3xy-z|1,1,1)' (-3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) (x+1,y+1,-z+1;mx,my,-mz) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+1,-z+1,x+1;my,-mz,mx) (z+1,x+1,-y+1;mz,mx,-my) (y+1,z+1,-x+1;my,mz,-mx) (-z+1,x+1,y+1;-mz,mx,my) (-y+1,z+1,x+1;-my,mz,mx) (z+1,-x+1,y+1;mz,-mx,my) 96k (1/2,y,z;0,my,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,-1/2;-my,mz,0) (-z,-1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,-1/2,-y;mz,0,-my) (y,-z,-1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) (-1/2,-y,-z;0,my,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) (-z,-1/2,-y;mz,0,my) (-y,-z,-1/2;my,mz,0) (y,-z,1/2;-my,mz,0) (z,1/2,-y;-mz,0,my) (y,z,-1/2;-my,-mz,0) (-z,1/2,y;mz,0,-my) (-y,z,1/2;my,-mz,0) (z,-1/2,y;-mz,0,-my) 96j (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1,y+1,z+1;-mx,0,0) (1,-y+1,-z+1;-mx,0,0) (1,y+1,-z+1;mx,0,0) (1,-y+1,z+1;mx,0,0) (z+1,1,y+1;0,-mx,0) (y+1,z+1,1;0,0,-mx) (-y+1,z+1,1;0,0,mx) (-z+1,1,y+1;0,mx,0) (-y+1,-z+1,1;0,0,-mx) (z+1,1,-y+1;0,mx,0) (y+1,-z+1,1;0,0,mx) (-z+1,1,-y+1;0,-mx,0) 64i (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) (-x+1,-x+1,-x+1;-mx,-mx,-mx) (-x+1,x+1,x+1;-mx,mx,mx) (x+1,-x+1,x+1;mx,-mx,mx) (x+1,x+1,-x+1;mx,mx,-mx) 48h (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,-1/2,-x;0,0,-mx) (1/2,-x,-1/2;0,-mx,0) (-x,-1/2,-1/2;mx,0,0) (x,-1/2,1/2;-mx,0,0) (-1/2,-x,-1/2;0,mx,0) (-1/2,-1/2,-x;0,0,mx) (-1/2,1/2,x;0,0,-mx) (-1/2,x,1/2;0,-mx,0) 48g (x,1/2,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (0,x,1/2;mz,0,0) (1/2,0,x;0,mz,0) (-1/2,0,-x;0,mz,0) (0,-x,1/2;-mz,0,0) (-1/2,0,x;0,-mz,0) (0,-x,-1/2;mz,0,0) (1/2,0,-x;0,-mz,0) (0,x,-1/2;-mz,0,0) 48f (x,0,1/2;0,my,0) (x,0,-1/2;0,-my,0) (-x,0,-1/2;0,my,0) (-x,0,1/2;0,-my,0) (1/2,x,0;0,0,my) (0,1/2,x;my,0,0) (0,1/2,-x;-my,0,0) (-1/2,-x,0;0,0,my) (0,-1/2,x;-my,0,0) (1/2,-x,0;0,0,-my) (0,-1/2,-x;my,0,0) (-1/2,x,0;0,0,-my) 48e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1,1,1;0,0,0) (-x+1,1,1;0,0,0) (1,x+1,1;0,0,0) (1,1,x+1;0,0,0) (1,1,-x+1;0,0,0) (1,-x+1,1;0,0,0) 24d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,-1/2,0;0,0,0) 24c (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) (1/2,0,1/2;0,mx,0) (1/2,1/2,0;0,0,mx) (1/2,-1/2,0;0,0,-mx) (1/2,0,-1/2;0,-mx,0) 8b (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 96k (1/4,y,z;0,my,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (z,1/4,y;mz,0,my) (y,z,1/4;my,mz,0) (-y,z,3/4;-my,mz,0) (-z,3/4,y;-mz,0,my) (-y,-z,1/4;-my,-mz,0) (z,3/4,-y;mz,0,-my) (y,-z,3/4;my,-mz,0) (-z,1/4,-y;-mz,0,-my) (3/4,-y,-z;0,my,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) (-z,3/4,-y;mz,0,my) (-y,-z,3/4;my,mz,0) (y,-z,1/4;-my,mz,0) (z,1/4,-y;-mz,0,my) (y,z,3/4;-my,-mz,0) (-z,1/4,y;mz,0,-my) (-y,z,1/4;my,-mz,0) (z,3/4,y;-mz,0,-my) 96j (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (0,y,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 64i (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x,x,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) 48h (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,3/4,-x;0,0,mx) (3/4,1/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) 48g (x,1/4,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) (0,x,1/4;mz,0,0) (1/4,0,x;0,mz,0) (3/4,0,-x;0,mz,0) (0,-x,1/4;-mz,0,0) (3/4,0,x;0,-mz,0) (0,-x,3/4;mz,0,0) (1/4,0,-x;0,-mz,0) (0,x,3/4;-mz,0,0) 48f (x,0,1/4;0,my,0) (x,0,3/4;0,-my,0) (-x,0,3/4;0,my,0) (-x,0,1/4;0,-my,0) (1/4,x,0;0,0,my) (0,1/4,x;my,0,0) (0,1/4,-x;-my,0,0) (3/4,-x,0;0,0,my) (0,3/4,x;-my,0,0) (1/4,-x,0;0,0,-my) (0,3/4,-x;my,0,0) (3/4,x,0;0,0,-my) 48e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x,0,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 24d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) 24c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 201.1.1520 Pn-3 UNI: 201.18 Pn-3.1 BNS: 201.18 Pn-3 Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24h (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) 12g (x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 12f (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,3/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,3/4,-x;0,0,mx) (3/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,3/4;0,-mx,0) 8e (x,x,x;mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (1/2,1/2,1/2;mx,mx,mx) (1/2,0,0;mx,-mx,-mx) (0,1/2,0;-mx,mx,-mx) (0,0,1/2;-mx,-mx,mx) 4b (0,0,0;mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 201.2.1521 Pn-31' UNI: 201.19 Pn-3.1' BNS: 201.19 Pn-31' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|0,0,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,1/2)' (3-xyz-1|1/2,1/2,0)' (3x-yz|1/2,1/2,0)' (3x-yz-1|0,1/2,1/2)' (3xy-z|0,1/2,1/2)' (3xy-z-1|1/2,0,1/2)' (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24h (x,y,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x+1/2;0,0,0) (-z+1/2,-x+1/2,y;0,0,0) (-y+1/2,-z+1/2,x;0,0,0) (z,-x+1/2,-y+1/2;0,0,0) (y,-z+1/2,-x+1/2;0,0,0) (-z+1/2,x,-y+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/2,-z,x+1/2;0,0,0) (z+1/2,x+1/2,-y;0,0,0) (y+1/2,z+1/2,-x;0,0,0) (-z,x+1/2,y+1/2;0,0,0) (-y,z+1/2,x+1/2;0,0,0) (z+1/2,-x,y+1/2;0,0,0) 12g (x,3/4,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (1/4,x,3/4;0,0,0) (3/4,1/4,x;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) (3/4,-x,1/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,1/4;0,0,0) 12f (x,1/4,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,3/4;0,0,0) 8e (x,x,x;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 201.3.1522 Pn'-3' UNI: 201.20 Pn'-3' BNS: 201.20 Pn'-3' Operators: (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24h (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y;mz,mx,-my) (y+1/2,z+1/2,-x;my,mz,-mx) (-z,x+1/2,y+1/2;-mz,mx,my) (-y,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x,y+1/2;mz,-mx,my) 12g (x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (x+1/2,1/4,3/4;mx,0,0) (3/4,-x,1/4;0,-mx,0) (1/4,3/4,-x;0,0,-mx) (1/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,1/4;0,mx,0) 12f (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,3/4;-mx,0,0) (x+1/2,3/4,3/4;mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,3/4,-x;0,0,-mx) (3/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,3/4;0,mx,0) 8e (x,x,x;mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x;mx,mx,-mx) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 4b (0,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 201.4.1523 P_Fn-3 UNI: 203.29 Fd-3.1'_I[Pn-3] BNS: 203.29 F_Sd-3 OG-BNS transformation: (-1,-1,-1;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1,1,1)' (2x|1,3/2,3/2)' (2y|3/2,1,3/2)' (2z|3/2,3/2,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|3/2,1,3/2)' (3-xyz-1|3/2,3/2,1)' (3x-yz|3/2,3/2,1)' (3x-yz-1|1,3/2,3/2)' (3xy-z|1,3/2,3/2)' (3xy-z-1|3/2,1,3/2)' (-1|1,1,1)' (mx|1,3/2,3/2)' (my|3/2,1,3/2)' (mz|3/2,3/2,1)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|3/2,1,3/2)' (-3-xyz-1|3/2,3/2,1)' (-3x-yz|3/2,3/2,1)' (-3x-yz-1|1,3/2,3/2)' (-3xy-z|1,3/2,3/2)' (-3xy-z-1|3/2,1,3/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192h (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+3/2,-z+3/2;-mx,my,mz) (-x+3/2,y+1,-z+3/2;mx,-my,mz) (-x+3/2,-y+3/2,z+1;mx,my,-mz) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+3/2,z+1,-x+3/2;my,-mz,mx) (-z+3/2,-x+3/2,y+1;mz,mx,-my) (-y+3/2,-z+3/2,x+1;my,mz,-mx) (z+1,-x+3/2,-y+3/2;-mz,mx,my) (y+1,-z+3/2,-x+3/2;-my,mz,mx) (-z+3/2,x+1,-y+3/2;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1,y+3/2,z+3/2;-mx,my,mz) (x+3/2,-y+1,z+3/2;mx,-my,mz) (x+3/2,y+3/2,-z+1;mx,my,-mz) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+3/2,-z+1,x+3/2;my,-mz,mx) (z+3/2,x+3/2,-y+1;mz,mx,-my) (y+3/2,z+3/2,-x+1;my,mz,-mx) (-z+1,x+3/2,y+3/2;-mz,mx,my) (-y+1,z+3/2,x+3/2;-my,mz,mx) (z+3/2,-x+1,y+3/2;mz,-mx,my) 96g (x,3/4,1/4;0,my,mz) (x,-1/4,1/4;0,-my,-mz) (-x+1/2,3/4,1/4;0,my,-mz) (-x+1/2,-1/4,1/4;0,-my,mz) (1/4,x,3/4;mz,0,my) (3/4,1/4,x;my,mz,0) (-1/4,1/4,-x+1/2;-my,mz,0) (1/4,-x+1/2,3/4;-mz,0,my) (-1/4,1/4,x;-my,-mz,0) (1/4,-x+1/2,-1/4;mz,0,-my) (3/4,1/4,-x+1/2;my,-mz,0) (1/4,x,-1/4;-mz,0,-my) (-x,-3/4,-1/4;0,my,mz) (-x,5/4,3/4;0,-my,-mz) (x+1/2,-3/4,3/4;0,my,-mz) (x+1/2,5/4,-1/4;0,-my,mz) (-1/4,-x,-3/4;mz,0,my) (-3/4,-1/4,-x;my,mz,0) (5/4,-1/4,x+1/2;-my,mz,0) (3/4,x+1/2,-3/4;-mz,0,my) (5/4,3/4,-x;-my,-mz,0) (-1/4,x+1/2,5/4;mz,0,-my) (-3/4,3/4,x+1/2;my,-mz,0) (3/4,-x,5/4;-mz,0,-my) 96f (x,1/4,1/4;mx,0,0) (-x+1/2,1/4,1/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) (-x,-1/4,-1/4;mx,0,0) (x+1/2,-1/4,3/4;-mx,0,0) (-1/4,-x,-1/4;0,mx,0) (-1/4,-1/4,-x;0,0,mx) (-1/4,3/4,x+1/2;0,0,-mx) (-1/4,x+1/2,3/4;0,-mx,0) (x+1,5/4,5/4;-mx,0,0) (-x+3/2,5/4,5/4;mx,0,0) (5/4,x+1,5/4;0,-mx,0) (5/4,5/4,x+1;0,0,-mx) (5/4,5/4,-x+3/2;0,0,mx) (5/4,-x+3/2,5/4;0,mx,0) (-x+1,3/4,3/4;-mx,0,0) (x+3/2,3/4,7/4;mx,0,0) (3/4,-x+1,3/4;0,-mx,0) (3/4,3/4,-x+1;0,0,-mx) (3/4,7/4,x+3/2;0,0,mx) (3/4,x+3/2,7/4;0,mx,0) 64e (x,x,x;mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) (x+1,-x+3/2,-x+3/2;-mx,mx,mx) (-x+3/2,x+1,-x+3/2;mx,-mx,mx) (-x+3/2,-x+3/2,x+1;mx,mx,-mx) (-x+1,-x+1,-x+1;-mx,-mx,-mx) (-x+1,x+3/2,x+3/2;-mx,mx,mx) (x+3/2,-x+1,x+3/2;mx,-mx,mx) (x+3/2,x+3/2,-x+1;mx,mx,-mx) 48d (1/4,3/4,3/4;mx,0,0) (1/4,3/4,-1/4;-mx,0,0) (3/4,1/4,3/4;0,mx,0) (3/4,3/4,1/4;0,0,mx) (3/4,-1/4,1/4;0,0,-mx) (3/4,1/4,-1/4;0,-mx,0) (-1/4,-3/4,-3/4;mx,0,0) (3/4,-3/4,5/4;-mx,0,0) (-3/4,-1/4,-3/4;0,mx,0) (-3/4,-3/4,-1/4;0,0,mx) (-3/4,5/4,3/4;0,0,-mx) (-3/4,3/4,5/4;0,-mx,0) 32c (1/2,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) (-1/2,1,1;0,0,0) (1,-1/2,1;0,0,0) (1,1,-1/2;0,0,0) 32b (0,0,0;mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1,1,1;-mx,-mx,-mx) (1,3/2,3/2;-mx,mx,mx) (3/2,1,3/2;mx,-mx,mx) (3/2,3/2,1;mx,mx,-mx) 16a (1/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (5/4,5/4,5/4;0,0,0) (3/4,3/4,3/4;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|3/4,0,3/4) (3-xyz-1|3/4,3/4,0) (3x-yz|3/4,3/4,0) (3x-yz-1|0,3/4,3/4) (3xy-z|0,3/4,3/4) (3xy-z-1|3/4,0,3/4) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (1|0,0,1/2)' (2x|1/2,1/4,1/4)' (2y|1/4,1/2,1/4)' (2z|1/4,1/4,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/4,1/2,1/4)' (3-xyz-1|1/4,1/4,1/2)' (3x-yz|1/4,1/4,1/2)' (3x-yz-1|1/2,1/4,1/4)' (3xy-z|1/2,1/4,1/4)' (3xy-z-1|1/4,1/2,1/4)' (-1|1/2,1/2,1/2)' (mx|1/2,3/4,3/4)' (my|3/4,1/2,3/4)' (mz|3/4,3/4,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|3/4,1/2,3/4)' (-3-xyz-1|3/4,3/4,1/2)' (-3x-yz|3/4,3/4,1/2)' (-3x-yz-1|1/2,3/4,3/4)' (-3xy-z|1/2,3/4,3/4)' (-3xy-z-1|3/4,1/2,3/4)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+3/4,z,-x+3/4;-my,mz,-mx) (-z+3/4,-x+3/4,y;-mz,-mx,my) (-y+3/4,-z+3/4,x;-my,-mz,mx) (z,-x+3/4,-y+3/4;mz,-mx,-my) (y,-z+3/4,-x+3/4;my,-mz,-mx) (-z+3/4,x,-y+3/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/4,-z+1/4;-mx,my,mz) (-x+1/4,y+1/2,-z+1/4;mx,-my,mz) (-x+1/4,-y+1/4,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/4,z+1/2,-x+1/4;my,-mz,mx) (-z+1/4,-x+1/4,y+1/2;mz,mx,-my) (-y+1/4,-z+1/4,x+1/2;my,mz,-mx) (z+1/2,-x+1/4,-y+1/4;-mz,mx,my) (y+1/2,-z+1/4,-x+1/4;-my,mz,mx) (-z+1/4,x+1/2,-y+1/4;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+3/4,z+3/4;-mx,my,mz) (x+3/4,-y+1/2,z+3/4;mx,-my,mz) (x+3/4,y+3/4,-z+1/2;mx,my,-mz) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+3/4,-z+1/2,x+3/4;my,-mz,mx) (z+3/4,x+3/4,-y+1/2;mz,mx,-my) (y+3/4,z+3/4,-x+1/2;my,mz,-mx) (-z+1/2,x+3/4,y+3/4;-mz,mx,my) (-y+1/2,z+3/4,x+3/4;-my,mz,mx) (z+3/4,-x+1/2,y+3/4;mz,-mx,my) 96g (x,7/8,5/8;0,my,mz) (x,7/8,1/8;0,-my,-mz) (-x+3/4,7/8,1/8;0,my,-mz) (-x+3/4,7/8,5/8;0,-my,mz) (5/8,x,7/8;mz,0,my) (7/8,5/8,x;my,mz,0) (7/8,5/8,-x+3/4;-my,mz,0) (1/8,-x+3/4,7/8;-mz,0,my) (7/8,1/8,x;-my,-mz,0) (5/8,-x+3/4,7/8;mz,0,-my) (7/8,1/8,-x+3/4;my,-mz,0) (1/8,x,7/8;-mz,0,-my) (-x,1/8,3/8;0,my,mz) (-x,1/8,7/8;0,-my,-mz) (x+1/4,1/8,7/8;0,my,-mz) (x+1/4,1/8,3/8;0,-my,mz) (3/8,-x,1/8;mz,0,my) (1/8,3/8,-x;my,mz,0) (1/8,3/8,x+1/4;-my,mz,0) (7/8,x+1/4,1/8;-mz,0,my) (1/8,7/8,-x;-my,-mz,0) (3/8,x+1/4,1/8;mz,0,-my) (1/8,7/8,x+1/4;my,-mz,0) (7/8,-x,1/8;-mz,0,-my) 96f (x,5/8,5/8;mx,0,0) (-x+3/4,5/8,1/8;-mx,0,0) (5/8,x,5/8;0,mx,0) (5/8,5/8,x;0,0,mx) (5/8,1/8,-x+3/4;0,0,-mx) (5/8,-x+3/4,1/8;0,-mx,0) (-x,3/8,3/8;mx,0,0) (x+1/4,3/8,7/8;-mx,0,0) (3/8,-x,3/8;0,mx,0) (3/8,3/8,-x;0,0,mx) (3/8,7/8,x+1/4;0,0,-mx) (3/8,x+1/4,7/8;0,-mx,0) (x,5/8,1/8;-mx,0,0) (-x+1/4,1/8,5/8;mx,0,0) (1/8,x+1/2,1/8;0,-mx,0) (1/8,1/8,x+1/2;0,0,-mx) (1/8,5/8,-x+1/4;0,0,mx) (1/8,-x+1/4,5/8;0,mx,0) (-x+1/2,7/8,7/8;-mx,0,0) (x+3/4,7/8,3/8;mx,0,0) (7/8,-x+1/2,7/8;0,-mx,0) (7/8,7/8,-x+1/2;0,0,-mx) (7/8,3/8,x+3/4;0,0,mx) (7/8,x+3/4,3/8;0,mx,0) 64e (x,x,x;mx,mx,mx) (x,-x+3/4,-x+3/4;mx,-mx,-mx) (-x+3/4,x,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+3/4,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/4,x+1/4;mx,-mx,-mx) (x+1/4,-x,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x;-mx,-mx,mx) (x,x,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/4,-x+1/4;-mx,mx,mx) (-x+1/4,x+1/2,-x+1/4;mx,-mx,mx) (-x+1/4,-x+1/4,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x+1/2,x+3/4,x+3/4;-mx,mx,mx) (x+3/4,-x+1/2,x+3/4;mx,-mx,mx) (x+3/4,x+3/4,-x+1/2;mx,mx,-mx) 48d (5/8,7/8,7/8;mx,0,0) (1/8,7/8,7/8;-mx,0,0) (7/8,5/8,7/8;0,mx,0) (7/8,7/8,5/8;0,0,mx) (7/8,7/8,1/8;0,0,-mx) (7/8,1/8,7/8;0,-mx,0) (3/8,1/8,1/8;mx,0,0) (7/8,1/8,1/8;-mx,0,0) (1/8,3/8,1/8;0,mx,0) (1/8,1/8,3/8;0,0,mx) (1/8,1/8,7/8;0,0,-mx) (1/8,7/8,1/8;0,-mx,0) 32c (3/4,3/4,3/4;0,0,0) (3/4,0,0;0,0,0) (0,3/4,0;0,0,0) (0,0,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) 32b (1/2,1/2,1/2;mx,mx,mx) (1/2,1/4,1/4;mx,-mx,-mx) (1/4,1/2,1/4;-mx,mx,-mx) (1/4,1/4,1/2;-mx,-mx,mx) (1/2,1/2,0;-mx,-mx,-mx) (0,3/4,3/4;-mx,mx,mx) (3/4,0,3/4;mx,-mx,mx) (3/4,3/4,0;mx,mx,-mx) 16a (5/8,5/8,5/8;0,0,0) (3/8,3/8,3/8;0,0,0) (5/8,5/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 202.1.1524 Fm-3 UNI: 202.22 Fm-3.1 BNS: 202.22 Fm-3 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 48h (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 48g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x,3/4,3/4;mx,0,0) (x,3/4,1/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,3/4,-x;0,0,mx) (3/4,1/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) 32f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) 24e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 202.2.1525 Fm-31' UNI: 202.23 Fm-3.1' BNS: 202.23 Fm-31' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 48h (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 48g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) 32f (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) 24e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 202.3.1526 Fm'-3' UNI: 202.24 Fm'-3' BNS: 202.24 Fm'-3' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 48h (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 48g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x,3/4,3/4;-mx,0,0) (x,3/4,1/4;mx,0,0) (3/4,-x,3/4;0,-mx,0) (3/4,3/4,-x;0,0,-mx) (3/4,1/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) 32f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) 24e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 203.1.1527 Fd-3 UNI: 203.26 Fd-3.1 BNS: 203.26 Fd-3 Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|3/4,0,3/4) (3-xyz-1|3/4,3/4,0) (3x-yz|3/4,3/4,0) (3x-yz-1|0,3/4,3/4) (3xy-z|0,3/4,3/4) (3xy-z-1|3/4,0,3/4) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96g (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+3/4,z,-x+3/4;-my,mz,-mx) (-z+3/4,-x+3/4,y;-mz,-mx,my) (-y+3/4,-z+3/4,x;-my,-mz,mx) (z,-x+3/4,-y+3/4;mz,-mx,-my) (y,-z+3/4,-x+3/4;my,-mz,-mx) (-z+3/4,x,-y+3/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) 48f (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,5/8,-x+3/4;0,0,-mx) (1/8,-x+3/4,5/8;0,-mx,0) (-x,7/8,7/8;mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) (7/8,-x,7/8;0,mx,0) (7/8,7/8,-x;0,0,mx) (7/8,3/8,x+1/4;0,0,-mx) (7/8,x+1/4,3/8;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x,-x+3/4,-x+3/4;mx,-mx,-mx) (-x+3/4,x,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+3/4,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/4,x+1/4;mx,-mx,-mx) (x+1/4,-x,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x;-mx,-mx,mx) 16d (1/2,1/2,1/2;mx,mx,mx) (1/2,1/4,1/4;mx,-mx,-mx) (1/4,1/2,1/4;-mx,mx,-mx) (1/4,1/4,1/2;-mx,-mx,mx) 16c (0,0,0;mx,mx,mx) (0,3/4,3/4;mx,-mx,-mx) (3/4,0,3/4;-mx,mx,-mx) (3/4,3/4,0;-mx,-mx,mx) 8b (5/8,5/8,5/8;0,0,0) (3/8,3/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 203.2.1528 Fd-31' UNI: 203.27 Fd-3.1' BNS: 203.27 Fd-31' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|3/4,0,3/4) (3-xyz-1|3/4,3/4,0) (3x-yz|3/4,3/4,0) (3x-yz-1|0,3/4,3/4) (3xy-z|0,3/4,3/4) (3xy-z-1|3/4,0,3/4) (-1|0,0,0) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (1|0,0,0)' (2x|0,3/4,3/4)' (2y|3/4,0,3/4)' (2z|3/4,3/4,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|3/4,0,3/4)' (3-xyz-1|3/4,3/4,0)' (3x-yz|3/4,3/4,0)' (3x-yz-1|0,3/4,3/4)' (3xy-z|0,3/4,3/4)' (3xy-z-1|3/4,0,3/4)' (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96g (x,y,z;0,0,0) (x,-y+3/4,-z+3/4;0,0,0) (-x+3/4,y,-z+3/4;0,0,0) (-x+3/4,-y+3/4,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+3/4,z,-x+3/4;0,0,0) (-z+3/4,-x+3/4,y;0,0,0) (-y+3/4,-z+3/4,x;0,0,0) (z,-x+3/4,-y+3/4;0,0,0) (y,-z+3/4,-x+3/4;0,0,0) (-z+3/4,x,-y+3/4;0,0,0) (-x,-y,-z;0,0,0) (-x,y+1/4,z+1/4;0,0,0) (x+1/4,-y,z+1/4;0,0,0) (x+1/4,y+1/4,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/4,-z,x+1/4;0,0,0) (z+1/4,x+1/4,-y;0,0,0) (y+1/4,z+1/4,-x;0,0,0) (-z,x+1/4,y+1/4;0,0,0) (-y,z+1/4,x+1/4;0,0,0) (z+1/4,-x,y+1/4;0,0,0) 48f (x,1/8,1/8;0,0,0) (-x+3/4,1/8,5/8;0,0,0) (1/8,x,1/8;0,0,0) (1/8,1/8,x;0,0,0) (1/8,5/8,-x+3/4;0,0,0) (1/8,-x+3/4,5/8;0,0,0) (-x,7/8,7/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) (7/8,-x,7/8;0,0,0) (7/8,7/8,-x;0,0,0) (7/8,3/8,x+1/4;0,0,0) (7/8,x+1/4,3/8;0,0,0) 32e (x,x,x;0,0,0) (x,-x+3/4,-x+3/4;0,0,0) (-x+3/4,x,-x+3/4;0,0,0) (-x+3/4,-x+3/4,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (5/8,5/8,5/8;0,0,0) (3/8,3/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 203.3.1529 Fd'-3' UNI: 203.28 Fd'-3' BNS: 203.28 Fd'-3' Operators: (1|0,0,0) (2x|0,3/4,3/4) (2y|3/4,0,3/4) (2z|3/4,3/4,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|3/4,0,3/4) (3-xyz-1|3/4,3/4,0) (3x-yz|3/4,3/4,0) (3x-yz-1|0,3/4,3/4) (3xy-z|0,3/4,3/4) (3xy-z-1|3/4,0,3/4) (-1|0,0,0)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96g (x,y,z;mx,my,mz) (x,-y+3/4,-z+3/4;mx,-my,-mz) (-x+3/4,y,-z+3/4;-mx,my,-mz) (-x+3/4,-y+3/4,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+3/4,z,-x+3/4;-my,mz,-mx) (-z+3/4,-x+3/4,y;-mz,-mx,my) (-y+3/4,-z+3/4,x;-my,-mz,mx) (z,-x+3/4,-y+3/4;mz,-mx,-my) (y,-z+3/4,-x+3/4;my,-mz,-mx) (-z+3/4,x,-y+3/4;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/4,-z,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y;mz,mx,-my) (y+1/4,z+1/4,-x;my,mz,-mx) (-z,x+1/4,y+1/4;-mz,mx,my) (-y,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x,y+1/4;mz,-mx,my) 48f (x,1/8,1/8;mx,0,0) (-x+3/4,1/8,5/8;-mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,5/8,-x+3/4;0,0,-mx) (1/8,-x+3/4,5/8;0,-mx,0) (-x,7/8,7/8;-mx,0,0) (x+1/4,7/8,3/8;mx,0,0) (7/8,-x,7/8;0,-mx,0) (7/8,7/8,-x;0,0,-mx) (7/8,3/8,x+1/4;0,0,mx) (7/8,x+1/4,3/8;0,mx,0) 32e (x,x,x;mx,mx,mx) (x,-x+3/4,-x+3/4;mx,-mx,-mx) (-x+3/4,x,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+3/4,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x+1/4,x+1/4;-mx,mx,mx) (x+1/4,-x,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x;mx,mx,-mx) 16d (1/2,1/2,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) 16c (0,0,0;0,0,0) (0,3/4,3/4;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) 8b (5/8,5/8,5/8;0,0,0) (3/8,3/8,3/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 204.1.1530 Im-3 UNI: 204.30 Im-3.1 BNS: 204.30 Im-3 Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 24g (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) 12e (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12d (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8c (1/4,1/4,1/4;mx,mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 204.2.1531 Im-31' UNI: 204.31 Im-3.1' BNS: 204.31 Im-31' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 24g (0,y,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 16f (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) 12e (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12d (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 204.3.1532 Im'-3' UNI: 204.32 Im'-3' BNS: 204.32 Im'-3' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24g (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 16f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) 12e (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 12d (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 204.4.1533 I_Pm-3 UNI: 200.17 Pm-3.1'_I[Im-3] BNS: 200.17 P_Im-3 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 24g (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) 12e (x,0,1/2;0,0,0) (-x,0,-1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,-1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,1;0,0,0) (-x+1/2,1/2,0;0,0,0) (1,x+1/2,1/2;0,0,0) (1/2,1,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (1,-x+1/2,1/2;0,0,0) 12d (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1,1;0,0,0) (1,1/2,1;0,0,0) (1,1,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 24g (0,y,z;mx,0,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) 12e (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (0,x+1/2,1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) 12d (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 204.5.1534 I_Pm'-3' UNI: 201.21 Pn-3.1'_I[Im-3] BNS: 201.21 P_In-3 OG-BNS transformation: (-3/4,-3/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (-3xyz|1/2,1/2,1/2) (-3xyz-1|1/2,1/2,1/2) (-3-xyz|1/2,1/2,1/2) (-3-xyz-1|1/2,1/2,1/2) (-3x-yz|1/2,1/2,1/2) (-3x-yz-1|1/2,1/2,1/2) (-3xy-z|1/2,1/2,1/2) (-3xy-z-1|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-z+1/2,-x+1/2,-y+1/2;mz,mx,my) (-y+1/2,-z+1/2,-x+1/2;my,mz,mx) (y+1/2,-z+1/2,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y+1/2;-mz,-mx,my) (y+1/2,z+1/2,-x+1/2;-my,-mz,mx) (-z+1/2,x+1/2,y+1/2;mz,-mx,-my) (-y+1/2,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x+1/2,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,-y,-z;-mx,-my,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24g (0,y,z;0,my,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) (1/2,-y+1/2,-z+1/2;0,my,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (-z+1/2,1/2,-y+1/2;mz,0,my) (-y+1/2,-z+1/2,1/2;my,mz,0) (y+1/2,-z+1/2,1/2;-my,mz,0) (z+1/2,1/2,-y+1/2;-mz,0,my) (y+1/2,z+1/2,1/2;-my,-mz,0) (-z+1/2,1/2,y+1/2;mz,0,-my) (-y+1/2,z+1/2,1/2;my,-mz,0) (z+1/2,1/2,y+1/2;-mz,0,-my) 16f (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) 12e (x,0,1/2;mx,0,0) (-x,0,-1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,-1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (x+1/2,1/2,1;-mx,0,0) (0,-x+1/2,1/2;0,mx,0) (1/2,0,-x+1/2;0,0,mx) (1/2,1,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) 12d (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,-x+1/2,1/2;0,mx,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) 8c (1/4,1/4,1/4;mx,mx,mx) (1/4,-1/4,-1/4;mx,-mx,-mx) (-1/4,1/4,-1/4;-mx,mx,-mx) (-1/4,-1/4,1/4;-mx,-mx,mx) (3/4,3/4,3/4;-mx,-mx,-mx) (3/4,1/4,1/4;-mx,mx,mx) (1/4,3/4,1/4;mx,-mx,mx) (1/4,1/4,3/4;mx,mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1/2,1/2,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|0,1/2,0)' (3-xyz-1|0,0,1/2)' (3x-yz|0,0,1/2)' (3x-yz-1|1/2,0,0)' (3xy-z|1/2,0,0)' (3xy-z-1|0,1/2,0)' (-1|1/2,1/2,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|0,1/2,0)' (-3-xyz-1|0,0,1/2)' (-3x-yz|0,0,1/2)' (-3x-yz-1|1/2,0,0)' (-3xy-z|1/2,0,0)' (-3xy-z-1|0,1/2,0)' Wyckoff positions (BNS): 48h (x,y,z;mx,my,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y,z+1/2,-x;my,-mz,mx) (-z,-x,y+1/2;mz,mx,-my) (-y,-z,x+1/2;my,mz,-mx) (z+1/2,-x,-y;-mz,mx,my) (y+1/2,-z,-x;-my,mz,mx) (-z,x+1/2,-y;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y,-z+1/2,x;my,-mz,mx) (z,x,-y+1/2;mz,mx,-my) (y,z,-x+1/2;my,mz,-mx) (-z+1/2,x,y;-mz,mx,my) (-y+1/2,z,x;-my,mz,mx) (z,-x+1/2,y;mz,-mx,my) 24g (3/4,y,z;0,my,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (z,3/4,y;mz,0,my) (y,z,3/4;my,mz,0) (-y+1/2,z,3/4;-my,mz,0) (-z+1/2,3/4,y;-mz,0,my) (-y+1/2,-z+1/2,3/4;-my,-mz,0) (z,3/4,-y+1/2;mz,0,-my) (y,-z+1/2,3/4;my,-mz,0) (-z+1/2,3/4,-y+1/2;-mz,0,-my) (1/4,-y,-z;0,my,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) (-z,1/4,-y;mz,0,my) (-y,-z,1/4;my,mz,0) (y+1/2,-z,1/4;-my,mz,0) (z+1/2,1/4,-y;-mz,0,my) (y+1/2,z+1/2,1/4;-my,-mz,0) (-z,1/4,y+1/2;mz,0,-my) (-y,z+1/2,1/4;my,-mz,0) (z+1/2,1/4,y+1/2;-mz,0,-my) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x,-x;-mx,mx,mx) (-x,x+1/2,-x;mx,-mx,mx) (-x,-x,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x+1/2,x,x;-mx,mx,mx) (x,-x+1/2,x;mx,-mx,mx) (x,x,-x+1/2;mx,mx,-mx) 12e (x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 12d (x,3/4,3/4;mx,0,0) (-x+1/2,3/4,3/4;-mx,0,0) (3/4,x,3/4;0,mx,0) (3/4,3/4,x;0,0,mx) (3/4,3/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,1/4;mx,0,0) (x+1/2,1/4,1/4;-mx,0,0) (1/4,-x,1/4;0,mx,0) (1/4,1/4,-x;0,0,mx) (1/4,1/4,x+1/2;0,0,-mx) (1/4,x+1/2,1/4;0,-mx,0) 8c (0,0,0;mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1/2,1/2,1/2;-mx,-mx,-mx) (1/2,0,0;-mx,mx,mx) (0,1/2,0;mx,-mx,mx) (0,0,1/2;mx,mx,-mx) 6b (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 2a (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 205.1.1535 Pa-3 UNI: 205.33 Pa-3.1 BNS: 205.33 Pa-3 Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,1/2,1/2) (-3-xyz-1|1/2,0,1/2) (-3x-yz|1/2,0,1/2) (-3x-yz-1|1/2,1/2,0) (-3xy-z|1/2,1/2,0) (-3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z+1/2,x+1/2;-my,mz,-mx) (z+1/2,x,-y+1/2;-mz,-mx,my) (y+1/2,z,-x+1/2;-my,-mz,mx) (-z+1/2,x+1/2,y;mz,-mx,-my) (-y+1/2,z+1/2,x;my,-mz,-mx) (z,-x+1/2,y+1/2;-mz,mx,-my) 8c (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,x;mx,-mx,-mx) (x,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x,-x+1/2;-mx,-mx,mx) 4b (1/2,1/2,1/2;mx,mx,mx) (0,0,1/2;mx,-mx,-mx) (1/2,0,0;-mx,mx,-mx) (0,1/2,0;-mx,-mx,mx) 4a (0,0,0;mx,mx,mx) (1/2,1/2,0;mx,-mx,-mx) (0,1/2,1/2;-mx,mx,-mx) (1/2,0,1/2;-mx,-mx,mx) ---------- OG: 205.2.1536 Pa-31' UNI: 205.34 Pa-3.1' BNS: 205.34 Pa-31' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (-1|0,0,0) (mx|1/2,1/2,0) (my|0,1/2,1/2) (mz|1/2,0,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,1/2,1/2) (-3-xyz-1|1/2,0,1/2) (-3x-yz|1/2,0,1/2) (-3x-yz-1|1/2,1/2,0) (-3xy-z|1/2,1/2,0) (-3xy-z-1|0,1/2,1/2) (1|0,0,0)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,1/2,1/2)' (3-xyz-1|1/2,0,1/2)' (3x-yz|1/2,0,1/2)' (3x-yz-1|1/2,1/2,0)' (3xy-z|1/2,1/2,0)' (3xy-z-1|0,1/2,1/2)' (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,1/2,1/2)' (-3-xyz-1|1/2,0,1/2)' (-3x-yz|1/2,0,1/2)' (-3x-yz-1|1/2,1/2,0)' (-3xy-z|1/2,1/2,0)' (-3xy-z-1|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24d (x,y,z;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z+1/2,-x+1/2;0,0,0) (-z+1/2,-x,y+1/2;0,0,0) (-y+1/2,-z,x+1/2;0,0,0) (z+1/2,-x+1/2,-y;0,0,0) (y+1/2,-z+1/2,-x;0,0,0) (-z,x+1/2,-y+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,y+1/2,z;0,0,0) (x,-y+1/2,z+1/2;0,0,0) (x+1/2,y,-z+1/2;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z+1/2,x+1/2;0,0,0) (z+1/2,x,-y+1/2;0,0,0) (y+1/2,z,-x+1/2;0,0,0) (-z+1/2,x+1/2,y;0,0,0) (-y+1/2,z+1/2,x;0,0,0) (z,-x+1/2,y+1/2;0,0,0) 8c (x,x,x;0,0,0) (x+1/2,-x+1/2,-x;0,0,0) (-x,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x,x+1/2;0,0,0) (-x,-x,-x;0,0,0) (-x+1/2,x+1/2,x;0,0,0) (x,-x+1/2,x+1/2;0,0,0) (x+1/2,x,-x+1/2;0,0,0) 4b (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 205.3.1537 Pa'-3' UNI: 205.35 Pa'-3' BNS: 205.35 Pa'-3' Operators: (1|0,0,0) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (-1|0,0,0)' (mx|1/2,1/2,0)' (my|0,1/2,1/2)' (mz|1/2,0,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,1/2,1/2)' (-3-xyz-1|1/2,0,1/2)' (-3x-yz|1/2,0,1/2)' (-3x-yz-1|1/2,1/2,0)' (-3xy-z|1/2,1/2,0)' (-3xy-z-1|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24d (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z;-mx,my,mz) (x,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y,-z+1/2;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x,-y+1/2;mz,mx,-my) (y+1/2,z,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y;-mz,mx,my) (-y+1/2,z+1/2,x;-my,mz,mx) (z,-x+1/2,y+1/2;mz,-mx,my) 8c (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,x;-mx,mx,mx) (x,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x,-x+1/2;mx,mx,-mx) 4b (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) 4a (0,0,0;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) ---------- OG: 206.1.1538 Ia-3 UNI: 206.37 Ia-3.1 BNS: 206.37 Ia-3 Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x;-my,mz,-mx) (z,x+1/2,-y;-mz,-mx,my) (y,z+1/2,-x;-my,-mz,mx) (-z,x,y+1/2;mz,-mx,-my) (-y,z,x+1/2;my,-mz,-mx) (z+1/2,-x,y;-mz,mx,-my) 24d (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;mx,0,0) (x+1/2,0,1/4;-mx,0,0) (3/4,-x,0;0,mx,0) (0,3/4,-x;0,0,mx) (0,1/4,x+1/2;0,0,-mx) (3/4,x,1/2;0,-mx,0) 16c (x,x,x;mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x,x+1/2;mx,-mx,-mx) (x+1/2,-x,x;-mx,mx,-mx) (x,x+1/2,-x;-mx,-mx,mx) 8b (1/4,1/4,1/4;mx,mx,mx) (1/4,3/4,1/4;mx,-mx,-mx) (1/4,1/4,3/4;-mx,mx,-mx) (3/4,1/4,1/4;-mx,-mx,mx) 8a (0,0,0;mx,mx,mx) (0,0,1/2;mx,-mx,-mx) (1/2,0,0;-mx,mx,-mx) (0,1/2,0;-mx,-mx,mx) ---------- OG: 206.2.1539 Ia-31' UNI: 206.38 Ia-3.1' BNS: 206.38 Ia-31' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,0)' (-3-xyz-1|0,1/2,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z|0,0,1/2)' (-3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x;0,0,0) (-z,-x+1/2,y;0,0,0) (-y,-z+1/2,x;0,0,0) (z,-x,-y+1/2;0,0,0) (y,-z,-x+1/2;0,0,0) (-z+1/2,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) (x,y+1/2,-z;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/2,-z,x;0,0,0) (z,x+1/2,-y;0,0,0) (y,z+1/2,-x;0,0,0) (-z,x,y+1/2;0,0,0) (-y,z,x+1/2;0,0,0) (z+1/2,-x,y;0,0,0) 24d (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) (1/4,x,0;0,0,0) (0,1/4,x;0,0,0) (0,3/4,-x+1/2;0,0,0) (1/4,-x,1/2;0,0,0) (-x,0,3/4;0,0,0) (x+1/2,0,1/4;0,0,0) (3/4,-x,0;0,0,0) (0,3/4,-x;0,0,0) (0,1/4,x+1/2;0,0,0) (3/4,x,1/2;0,0,0) 16c (x,x,x;0,0,0) (x,-x,-x+1/2;0,0,0) (-x+1/2,x,-x;0,0,0) (-x,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) (-x,x,x+1/2;0,0,0) (x+1/2,-x,x;0,0,0) (x,x+1/2,-x;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 206.3.1540 Ia'-3' UNI: 206.39 Ia'-3' BNS: 206.39 Ia'-3' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,0)' (-3-xyz-1|0,1/2,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z|0,0,1/2)' (-3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x;my,-mz,mx) (z,x+1/2,-y;mz,mx,-my) (y,z+1/2,-x;my,mz,-mx) (-z,x,y+1/2;-mz,mx,my) (-y,z,x+1/2;-my,mz,mx) (z+1/2,-x,y;mz,-mx,my) 24d (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;-mx,0,0) (x+1/2,0,1/4;mx,0,0) (3/4,-x,0;0,-mx,0) (0,3/4,-x;0,0,-mx) (0,1/4,x+1/2;0,0,mx) (3/4,x,1/2;0,mx,0) 16c (x,x,x;mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x,x+1/2;-mx,mx,mx) (x+1/2,-x,x;mx,-mx,mx) (x,x+1/2,-x;mx,mx,-mx) 8b (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) ---------- OG: 206.4.1541 I_Pa-3' UNI: 205.36 Pa-3.1'_I[Ia-3] BNS: 205.36 P_Ia-3 OG-BNS transformation: (1/4,3/4,3/4;a,-c,b) Operators (OG): (1|0,0,0) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1,1/2,1/2) (3-xyz-1|1/2,1,1/2) (3x-yz|1/2,1,1/2) (3x-yz-1|1/2,1/2,1) (3xy-z|1/2,1/2,1) (3xy-z-1|1,1/2,1/2) (-1|1/2,1/2,1/2) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (-3xyz|1/2,1/2,1/2) (-3xyz-1|1/2,1/2,1/2) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' (-1|0,0,0)' (mx|1/2,1/2,1)' (my|1,1/2,1/2)' (mz|1/2,1,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1,1/2,1/2)' (-3-xyz-1|1/2,1,1/2)' (-3x-yz|1/2,1,1/2)' (-3x-yz-1|1/2,1/2,1)' (-3xy-z|1/2,1/2,1)' (-3xy-z-1|1,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,0,-1)+ (0,1,0)+ 48e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1,y+1/2;-mz,-mx,my) (-y+1/2,-z+1,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y+1;mz,-mx,-my) (y+1/2,-z+1/2,-x+1;my,-mz,-mx) (-z+1,x+1/2,-y+1/2;-mz,mx,-my) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-z+1/2,-x+1/2,-y+1/2;mz,mx,my) (-y+1/2,-z+1/2,-x+1/2;my,mz,mx) (y+1/2,-z,x;-my,mz,-mx) (z,x+1/2,-y;-mz,-mx,my) (y,z+1/2,-x;-my,-mz,mx) (-z,x,y+1/2;mz,-mx,-my) (-y,z,x+1/2;my,-mz,-mx) (z+1/2,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,y+1/2,z+1;-mx,my,mz) (x+1,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1,-z+1/2;mx,my,-mz) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1,-y+1/2;mz,mx,-my) (y+1/2,z+1,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1;-mz,mx,my) (-y+1/2,z+1/2,x+1;-my,mz,mx) (z+1,-x+1/2,y+1/2;mz,-mx,my) 24d (x,0,1/4;0,my,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (1,3/4,-x+1/2;-my,mz,0) (1/4,-x+1,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,1;mz,0,-my) (1/2,1/4,-x+1;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) (-x+1/2,1/2,1/4;0,my,mz) (-x,0,3/4;0,-my,-mz) (x+1/2,0,1/4;0,my,-mz) (x,1/2,-1/4;0,-my,mz) (1/4,-x+1/2,1/2;mz,0,my) (1/2,1/4,-x+1/2;my,mz,0) (1/2,-1/4,x;-my,mz,0) (1/4,x+1/2,0;-mz,0,my) (0,3/4,-x;-my,-mz,0) (-1/4,x,1/2;mz,0,-my) (0,1/4,x+1/2;my,-mz,0) (3/4,-x,0;-mz,0,-my) 16c (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,-x+1;mx,-mx,-mx) (-x+1,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1,x+1/2;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,x,x+1/2;mx,-mx,-mx) (x+1/2,-x,x;-mx,mx,-mx) (x,x+1/2,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,x+1;-mx,mx,mx) (x+1,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1,-x+1/2;mx,mx,-mx) 8b (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;mx,-mx,-mx) (3/4,3/4,1/4;-mx,mx,-mx) (1/4,3/4,3/4;-mx,-mx,mx) (3/4,3/4,3/4;-mx,-mx,-mx) (1/4,-1/4,1/4;-mx,mx,mx) (1/4,1/4,-1/4;mx,-mx,mx) (-1/4,1/4,1/4;mx,mx,-mx) 8a (0,0,0;0,0,0) (1/2,1/2,1;0,0,0) (1,1/2,1/2;0,0,0) (1/2,1,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) Operators (BNS): (1|0,0,0) (2x|1/2,1/2,0) (2z|1/2,0,1/2) (2y|0,1/2,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (3xy-z|1/2,1/2,0) (3-xyz-1|1/2,0,1/2) (3-xyz|0,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (-1|0,0,0) (mx|1/2,1/2,0) (mz|1/2,0,1/2) (my|0,1/2,1/2) (-3x-yz|1/2,0,1/2) (-3x-yz-1|1/2,1/2,0) (-3xy-z-1|0,1/2,1/2) (-3xy-z|1/2,1/2,0) (-3-xyz-1|1/2,0,1/2) (-3-xyz|0,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (1|1/2,1/2,1/2)' (2x|0,0,1/2)' (2z|0,1/2,0)' (2y|1/2,0,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z-1|1/2,0,0)' (3xy-z|0,0,1/2)' (3-xyz-1|0,1/2,0)' (3-xyz|1/2,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (mx|0,0,1/2)' (mz|0,1/2,0)' (my|1/2,0,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z-1|1/2,0,0)' (-3xy-z|0,0,1/2)' (-3-xyz-1|0,1/2,0)' (-3-xyz|1/2,0,0)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 48e (x,y,z;mx,my,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (-z,x+1/2,-y+1/2;-mz,mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y,z+1/2,-x+1/2;-my,mz,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-x,-y,-z;mx,my,mz) (-x+1/2,y+1/2,z;mx,-my,-mz) (x+1/2,y,-z+1/2;-mx,-my,mz) (x,-y+1/2,z+1/2;-mx,my,-mz) (y+1/2,z,-x+1/2;-my,-mz,mx) (-z+1/2,x+1/2,y;mz,-mx,-my) (z,-x+1/2,y+1/2;-mz,mx,-my) (-y+1/2,z+1/2,x;my,-mz,-mx) (z+1/2,x,-y+1/2;-mz,-mx,my) (y,-z+1/2,x+1/2;-my,mz,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x,-y+1/2,z;mx,my,-mz) (-x+1/2,y,-z;mx,-my,mz) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (-z+1/2,x,-y;mz,-mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y+1/2,z,-x;my,-mz,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,y,z+1/2;-mx,my,mz) (x,y+1/2,-z;mx,my,-mz) (x+1/2,-y,z;mx,-my,mz) (y,z+1/2,-x;my,mz,-mx) (-z,x,y+1/2;-mz,mx,my) (z+1/2,-x,y;mz,-mx,my) (-y,z,x+1/2;-my,mz,mx) (z,x+1/2,-y;mz,mx,-my) (y+1/2,-z,x;my,-mz,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) 24d (x,1/2,1/4;0,my,mz) (x+1/2,0,3/4;0,-my,-mz) (-x+1/2,1/2,3/4;0,-my,mz) (-x,0,1/4;0,my,-mz) (0,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,1/2;mz,0,-my) (3/4,x+1/2,0;-mz,0,-my) (0,1/4,-x;my,-mz,0) (1/4,-x,0;-mz,0,my) (1/2,3/4,-x+1/2;-my,mz,0) (1/4,x,1/2;mz,0,my) (1/2,1/4,x;my,mz,0) (-x,1/2,3/4;0,my,mz) (-x+1/2,0,1/4;0,-my,-mz) (x+1/2,1/2,1/4;0,-my,mz) (x,0,3/4;0,my,-mz) (0,1/4,-x+1/2;-my,-mz,0) (1/4,x+1/2,1/2;mz,0,-my) (1/4,-x+1/2,0;-mz,0,-my) (0,3/4,x;my,-mz,0) (3/4,x,0;-mz,0,my) (1/2,1/4,x+1/2;-my,mz,0) (3/4,-x,1/2;mz,0,my) (1/2,3/4,-x;my,mz,0) 16c (x,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x;-mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x;-mx,mx,mx) (x,x,x;-mx,-mx,-mx) (x+1/2,-x,x;-mx,mx,-mx) (x,x+1/2,-x;-mx,-mx,mx) (-x,x,x+1/2;mx,-mx,-mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 8b (0,1/2,1/2;mx,-mx,mx) (1/2,0,1/2;mx,mx,-mx) (1/2,1/2,0;-mx,mx,mx) (0,0,0;-mx,-mx,-mx) (1/2,0,0;-mx,mx,-mx) (0,1/2,0;-mx,-mx,mx) (0,0,1/2;mx,-mx,-mx) (1/2,1/2,1/2;mx,mx,mx) 8a (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 207.1.1542 P432 UNI: 207.40 P432.1 BNS: 207.40 P432 Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24k (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 12j (1/2,y,y;0,my,my) (1/2,-y,y;0,-my,my) (1/2,y,-y;0,my,-my) (y,y,1/2;my,my,0) (-y,y,1/2;-my,my,0) (-y,1/2,y;-my,0,my) (y,1/2,y;my,0,my) (1/2,-y,-y;0,-my,-my) (y,1/2,-y;my,0,-my) (-y,1/2,-y;-my,0,-my) (y,-y,1/2;my,-my,0) (-y,-y,1/2;-my,-my,0) 12i (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 12h (x,1/2,0;mx,0,0) (x,0,1/2;mx,0,0) (0,1/2,-x;0,0,-mx) (0,1/2,x;0,0,mx) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 8g (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 6f (x,1/2,1/2;mx,0,0) (1/2,1/2,-x;0,0,-mx) (1/2,1/2,x;0,0,mx) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 6e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 207.2.1543 P4321' UNI: 207.41 P432.1' BNS: 207.41 P4321' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24k (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 12j (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 12i (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 12h (x,1/2,0;0,0,0) (x,0,1/2;0,0,0) (0,1/2,-x;0,0,0) (0,1/2,x;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 8g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 207.3.1544 P4'32' UNI: 207.42 P4'32' BNS: 207.42 P4'32' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24k (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 12j (1/2,y,y;mx,my,-my) (1/2,-y,y;-mx,-my,-my) (1/2,y,-y;-mx,my,my) (y,y,1/2;my,-my,mx) (-y,y,1/2;-my,-my,-mx) (-y,1/2,y;my,-mx,my) (y,1/2,y;-my,mx,my) (1/2,-y,-y;mx,-my,my) (y,1/2,-y;-my,-mx,-my) (-y,1/2,-y;my,mx,-my) (y,-y,1/2;my,my,-mx) (-y,-y,1/2;-my,my,mx) 12i (0,y,y;mx,my,-my) (0,-y,y;-mx,-my,-my) (0,y,-y;-mx,my,my) (y,y,0;my,-my,mx) (-y,y,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (y,0,y;-my,mx,my) (0,-y,-y;mx,-my,my) (y,0,-y;-my,-mx,-my) (-y,0,-y;my,mx,-my) (y,-y,0;my,my,-mx) (-y,-y,0;-my,my,mx) 12h (x,1/2,0;mx,0,0) (x,0,1/2;-mx,0,0) (0,1/2,-x;0,0,mx) (0,1/2,x;0,0,-mx) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 8g (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 207.4.1545 P_F432 UNI: 209.51 F432.1'_I[P432] BNS: 209.51 F_S432 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1,1,1)' (4x|1,1,1)' (4x-1|1,1,1)' (4y|1,1,1)' (4y-1|1,1,1)' (4z|1,1,1)' (4z-1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (2xy|1,1,1)' (2-xy|1,1,1)' (2yz|1,1,1)' (2-yz|1,1,1)' (2xz|1,1,1)' (2-xz|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192k (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-z+1,y+1;-mx,mz,-my) (x+1,z+1,-y+1;-mx,-mz,my) (z+1,y+1,-x+1;-mz,-my,mx) (-z+1,y+1,x+1;mz,-my,-mx) (-y+1,x+1,z+1;my,-mx,-mz) (y+1,-x+1,z+1;-my,mx,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (y+1,x+1,-z+1;-my,-mx,mz) (-y+1,-x+1,-z+1;my,mx,mz) (-x+1,z+1,y+1;mx,-mz,-my) (-x+1,-z+1,-y+1;mx,mz,my) (z+1,-y+1,x+1;-mz,my,-mx) (-z+1,-y+1,-x+1;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) 96j (1/2,y,y;mx,my,-my) (1/2,-y,y;mx,my,my) (1/2,y,-y;mx,-my,-my) (y,y,-1/2;-my,my,-mx) (-y,y,1/2;my,my,mx) (-y,1/2,y;-my,mx,-my) (y,-1/2,y;my,-mx,-my) (1/2,-y,-y;mx,-my,my) (-1/2,y,-y;-mx,my,my) (-1/2,-y,y;-mx,-my,-my) (y,1/2,-y;my,mx,my) (-y,-1/2,-y;-my,-mx,my) (-1/2,y,y;-mx,-my,my) (-1/2,-y,-y;-mx,my,-my) (y,-y,1/2;-my,-my,mx) (-y,-y,-1/2;my,-my,-mx) (y,1/2,y;-my,mx,my) (y,y,1/2;my,-my,mx) (-y,y,-1/2;-my,-my,-mx) (-y,-1/2,y;my,-mx,my) (-y,-y,1/2;-my,my,mx) (y,-1/2,-y;-my,-mx,-my) (y,-y,-1/2;my,my,-mx) (-y,1/2,-y;my,mx,-my) 96i (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) (1,y+1,y+1;0,-my,-my) (1,-y+1,y+1;0,my,-my) (1,y+1,-y+1;0,-my,my) (y+1,y+1,1;-my,-my,0) (-y+1,y+1,1;my,-my,0) (-y+1,1,y+1;my,0,-my) (y+1,1,y+1;-my,0,-my) (1,-y+1,-y+1;0,my,my) (y+1,1,-y+1;-my,0,my) (-y+1,1,-y+1;my,0,my) (y+1,-y+1,1;-my,my,0) (-y+1,-y+1,1;my,my,0) 96h (x,1/2,0;0,my,mz) (x,0,1/2;0,-mz,my) (x,0,-1/2;0,mz,-my) (0,1/2,-x;mz,my,0) (0,1/2,x;-mz,my,0) (-1/2,x,0;-my,0,mz) (1/2,-x,0;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1/2,x,0;my,0,-mz) (-1/2,-x,0;-my,0,-mz) (-x,0,1/2;0,mz,my) (-x,0,-1/2;0,-mz,-my) (0,-1/2,x;mz,-my,0) (0,-1/2,-x;-mz,-my,0) (0,x,1/2;mz,0,my) (1/2,0,x;my,mz,0) (-1/2,0,-x;-my,mz,0) (0,-x,1/2;-mz,0,my) (-1/2,0,x;-my,-mz,0) (0,-x,-1/2;mz,0,-my) (1/2,0,-x;my,-mz,0) (0,x,-1/2;-mz,0,-my) 64g (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (x+1,x+1,x+1;-mx,-mx,-mx) (x+1,-x+1,x+1;-mx,mx,-mx) (x+1,x+1,-x+1;-mx,-mx,mx) (-x+1,x+1,x+1;mx,-mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) (-x+1,-x+1,-x+1;mx,mx,mx) 48f (x,1/2,1/2;0,0,0) (x,-1/2,1/2;0,0,0) (-1/2,-1/2,-x;0,0,0) (-1/2,1/2,x;0,0,0) (-1/2,x,1/2;0,0,0) (-1/2,-x,-1/2;0,0,0) (-x,1/2,-1/2;0,0,0) (-x,-1/2,-1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,-1/2,-x;0,0,0) (1/2,-x,-1/2;0,0,0) 48e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1,1,1;-mx,0,0) (1,1,-x+1;0,0,mx) (1,1,x+1;0,0,-mx) (1,x+1,1;0,-mx,0) (1,-x+1,1;0,mx,0) (-x+1,1,1;mx,0,0) 24d (1/2,0,0;mx,0,0) (0,0,-1/2;0,0,-mx) (0,0,1/2;0,0,mx) (0,1/2,0;0,mx,0) (0,-1/2,0;0,-mx,0) (-1/2,0,0;-mx,0,0) 24c (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8b (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192k (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 96j (1/4,y,y;mx,my,-my) (1/4,-y,y;mx,my,my) (1/4,y,-y;mx,-my,-my) (y,y,3/4;-my,my,-mx) (-y,y,1/4;my,my,mx) (-y,1/4,y;-my,mx,-my) (y,3/4,y;my,-mx,-my) (1/4,-y,-y;mx,-my,my) (3/4,y,-y;-mx,my,my) (3/4,-y,y;-mx,-my,-my) (y,1/4,-y;my,mx,my) (-y,3/4,-y;-my,-mx,my) (3/4,y,y;-mx,-my,my) (3/4,-y,-y;-mx,my,-my) (y,-y,1/4;-my,-my,mx) (-y,-y,3/4;my,-my,-mx) (y,1/4,y;-my,mx,my) (y,y,1/4;my,-my,mx) (-y,y,3/4;-my,-my,-mx) (-y,3/4,y;my,-mx,my) (-y,-y,1/4;-my,my,mx) (y,3/4,-y;-my,-mx,-my) (y,-y,3/4;my,my,-mx) (-y,1/4,-y;my,mx,-my) 96i (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) (0,y,y+1/2;0,-my,-my) (1/2,-y+1/2,y+1/2;0,my,-my) (1/2,y+1/2,-y+1/2;0,-my,my) (y+1/2,y+1/2,1/2;-my,-my,0) (-y+1/2,y+1/2,1/2;my,-my,0) (-y+1/2,1/2,y+1/2;my,0,-my) (y+1/2,1/2,y+1/2;-my,0,-my) (1/2,-y+1/2,-y+1/2;0,my,my) (y+1/2,1/2,-y+1/2;-my,0,my) (-y+1/2,1/2,-y+1/2;my,0,my) (y+1/2,-y+1/2,1/2;-my,my,0) (-y+1/2,-y+1/2,1/2;my,my,0) 96h (x,1/4,0;0,my,mz) (x,0,1/4;0,-mz,my) (x,0,3/4;0,mz,-my) (0,1/4,-x;mz,my,0) (0,1/4,x;-mz,my,0) (3/4,x,0;-my,0,mz) (1/4,-x,0;my,0,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) (1/4,x,0;my,0,-mz) (3/4,-x,0;-my,0,-mz) (-x,0,1/4;0,mz,my) (-x,0,3/4;0,-mz,-my) (0,3/4,x;mz,-my,0) (0,3/4,-x;-mz,-my,0) (0,x,1/4;mz,0,my) (1/4,0,x;my,mz,0) (3/4,0,-x;-my,mz,0) (0,-x,1/4;-mz,0,my) (3/4,0,x;-my,-mz,0) (0,-x,3/4;mz,0,-my) (1/4,0,-x;my,-mz,0) (0,x,3/4;-mz,0,-my) 64g (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (x,x,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) 48f (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 48e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x,0,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 24d (1/4,0,0;mx,0,0) (0,0,3/4;0,0,-mx) (0,0,1/4;0,0,mx) (0,1/4,0;0,mx,0) (0,3/4,0;0,-mx,0) (3/4,0,0;-mx,0,0) 24c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 208.1.1546 P4_232 UNI: 208.44 P4_232.1 BNS: 208.44 P4_232 Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 12l (1/4,y,y+1/2;0,my,my) (3/4,-y,y+1/2;0,-my,my) (3/4,y,-y+1/2;0,my,-my) (y,y+1/2,1/4;my,my,0) (-y,y+1/2,3/4;-my,my,0) (-y+1/2,3/4,y;-my,0,my) (y+1/2,1/4,y;my,0,my) (1/4,-y,-y+1/2;0,-my,-my) (y+1/2,3/4,-y;my,0,-my) (-y+1/2,1/4,-y;-my,0,-my) (y,-y+1/2,3/4;my,-my,0) (-y,-y+1/2,1/4;-my,-my,0) 12k (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) 12j (x,1/2,0;mx,0,0) (x+1/2,1/2,0;mx,0,0) (1/2,0,-x+1/2;0,0,-mx) (1/2,0,x+1/2;0,0,mx) (0,x+1/2,1/2;0,mx,0) (0,-x+1/2,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 12i (x,0,1/2;mx,0,0) (x+1/2,0,1/2;mx,0,0) (0,1/2,-x+1/2;0,0,-mx) (0,1/2,x+1/2;0,0,mx) (1/2,x+1/2,0;0,mx,0) (1/2,-x+1/2,0;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 12h (x,0,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,1/2,x+1/2;0,0,mx) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) 6f (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6e (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 208.2.1547 P4_2321' UNI: 208.45 P4_232.1' BNS: 208.45 P4_2321' Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;0,0,0) (x+1/2,-z+1/2,y+1/2;0,0,0) (x+1/2,z+1/2,-y+1/2;0,0,0) (z+1/2,y+1/2,-x+1/2;0,0,0) (-z+1/2,y+1/2,x+1/2;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,z+1/2,y+1/2;0,0,0) (-x+1/2,-z+1/2,-y+1/2;0,0,0) (z+1/2,-y+1/2,x+1/2;0,0,0) (-z+1/2,-y+1/2,-x+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 12l (1/4,y,y+1/2;0,0,0) (3/4,-y,y+1/2;0,0,0) (3/4,y,-y+1/2;0,0,0) (y,y+1/2,1/4;0,0,0) (-y,y+1/2,3/4;0,0,0) (-y+1/2,3/4,y;0,0,0) (y+1/2,1/4,y;0,0,0) (1/4,-y,-y+1/2;0,0,0) (y+1/2,3/4,-y;0,0,0) (-y+1/2,1/4,-y;0,0,0) (y,-y+1/2,3/4;0,0,0) (-y,-y+1/2,1/4;0,0,0) 12k (1/4,y,-y+1/2;0,0,0) (3/4,y,y+1/2;0,0,0) (3/4,-y,-y+1/2;0,0,0) (-y,y+1/2,1/4;0,0,0) (y,y+1/2,3/4;0,0,0) (-y+1/2,3/4,-y;0,0,0) (y+1/2,1/4,-y;0,0,0) (1/4,-y,y+1/2;0,0,0) (y+1/2,3/4,y;0,0,0) (-y+1/2,1/4,y;0,0,0) (-y,-y+1/2,3/4;0,0,0) (y,-y+1/2,1/4;0,0,0) 12j (x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (1/2,0,-x+1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 12i (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12h (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8g (x,x,x;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 6f (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6e (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 4b (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 208.3.1548 P4_2'32' UNI: 208.46 P4_2'32' BNS: 208.46 P4_2'32' Operators: (1|0,0,0) (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24m (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 12l (1/4,y,y+1/2;mx,my,-my) (3/4,-y,y+1/2;-mx,-my,-my) (3/4,y,-y+1/2;-mx,my,my) (y,y+1/2,1/4;my,-my,mx) (-y,y+1/2,3/4;-my,-my,-mx) (-y+1/2,3/4,y;my,-mx,my) (y+1/2,1/4,y;-my,mx,my) (1/4,-y,-y+1/2;mx,-my,my) (y+1/2,3/4,-y;-my,-mx,-my) (-y+1/2,1/4,-y;my,mx,-my) (y,-y+1/2,3/4;my,my,-mx) (-y,-y+1/2,1/4;-my,my,mx) 12k (1/4,y,-y+1/2;mx,my,my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (-y,y+1/2,1/4;-my,-my,mx) (y,y+1/2,3/4;my,-my,-mx) (-y+1/2,3/4,-y;my,-mx,-my) (y+1/2,1/4,-y;-my,mx,-my) (1/4,-y,y+1/2;mx,-my,-my) (y+1/2,3/4,y;-my,-mx,my) (-y+1/2,1/4,y;my,mx,my) (-y,-y+1/2,3/4;-my,my,-mx) (y,-y+1/2,1/4;my,my,mx) 12j (x,1/2,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) (1/2,0,-x+1/2;0,0,mx) (1/2,0,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) (0,-x+1/2,1/2;0,mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 12i (x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (0,1/2,-x+1/2;0,0,mx) (0,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,0;0,-mx,0) (1/2,-x+1/2,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 12h (x,0,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) 6f (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) (0,1/4,1/2;0,mx,0) 6e (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) (0,1/2,1/4;0,0,mx) (0,1/2,3/4;0,0,-mx) (1/2,3/4,0;0,-mx,0) (1/2,1/4,0;0,mx,0) 6d (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 4c (3/4,3/4,3/4;mx,mx,mx) (1/4,3/4,1/4;-mx,mx,-mx) (1/4,1/4,3/4;-mx,-mx,mx) (3/4,1/4,1/4;mx,-mx,-mx) 4b (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 208.4.1549 P_F4_232 UNI: 210.55 F4_132.1'_I[P4_232] BNS: 210.55 F_S4_132 OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1,1,1)' (4x|3/2,3/2,3/2)' (4x-1|3/2,3/2,3/2)' (4y|3/2,3/2,3/2)' (4y-1|3/2,3/2,3/2)' (4z|3/2,3/2,3/2)' (4z-1|3/2,3/2,3/2)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (2xy|3/2,3/2,3/2)' (2-xy|3/2,3/2,3/2)' (2yz|3/2,3/2,3/2)' (2-yz|3/2,3/2,3/2)' (2xz|3/2,3/2,3/2)' (2-xz|3/2,3/2,3/2)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192m (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+3/2,-z+3/2,y+3/2;-mx,mz,-my) (x+3/2,z+3/2,-y+3/2;-mx,-mz,my) (z+3/2,y+3/2,-x+3/2;-mz,-my,mx) (-z+3/2,y+3/2,x+3/2;mz,-my,-mx) (-y+3/2,x+3/2,z+3/2;my,-mx,-mz) (y+3/2,-x+3/2,z+3/2;-my,mx,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (y+3/2,x+3/2,-z+3/2;-my,-mx,mz) (-y+3/2,-x+3/2,-z+3/2;my,mx,mz) (-x+3/2,z+3/2,y+3/2;mx,-mz,-my) (-x+3/2,-z+3/2,-y+3/2;mx,mz,my) (z+3/2,-y+3/2,x+3/2;-mz,my,-mx) (-z+3/2,-y+3/2,-x+3/2;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) 96l (1/4,y,y+1/2;mx,my,-my) (3/4,-y,y+1/2;mx,my,my) (3/4,y+1,-y+1/2;mx,-my,-my) (y+1,y+1/2,1/4;-my,my,-mx) (-y,y+1/2,3/4;my,my,mx) (-y+1/2,3/4,y+1;-my,mx,-my) (y+1/2,1/4,y+1;my,-mx,-my) (1/4,-y,-y-1/2;mx,-my,my) (-1/4,y,-y-1/2;-mx,my,my) (-1/4,-y,y+1/2;-mx,-my,-my) (y+1/2,3/4,-y;my,mx,my) (-y+1/2,1/4,-y;-my,-mx,my) (1/4,y+1,y+1/2;-mx,-my,my) (1/4,-y,-y+1/2;-mx,my,-my) (y+1,-y+1/2,3/4;-my,-my,mx) (-y,-y+1/2,1/4;my,-my,-mx) (y+1/2,1/4,y;-my,mx,my) (y,y+1/2,1/4;my,-my,mx) (-y,y+1/2,-1/4;-my,-my,-mx) (-y-1/2,-1/4,y;my,-mx,my) (-y,-y-1/2,1/4;-my,my,mx) (y+1/2,-1/4,-y;-my,-mx,-my) (y,-y-1/2,-1/4;my,my,-mx) (-y-1/2,1/4,-y;my,mx,-my) 96k (1/4,y,-y+1/2;0,my,-my) (-1/4,y,y-1/2;0,my,my) (-1/4,-y,-y+1/2;0,-my,-my) (-y,y-1/2,1/4;-my,my,0) (y,y-1/2,-1/4;my,my,0) (-y+1/2,-1/4,-y;-my,0,-my) (y-1/2,1/4,-y;my,0,-my) (1/4,-y,y-1/2;0,-my,my) (y-1/2,-1/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,-1/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (5/4,y+1,-y+3/2;0,-my,my) (3/4,y+1,y+1/2;0,-my,-my) (3/4,-y+1,-y+3/2;0,my,my) (-y+1,y+1/2,5/4;my,-my,0) (y+1,y+1/2,3/4;-my,-my,0) (-y+3/2,3/4,-y+1;my,0,my) (y+1/2,5/4,-y+1;-my,0,my) (5/4,-y+1,y+1/2;0,my,-my) (y+1/2,3/4,y+1;-my,0,-my) (-y+3/2,5/4,y+1;my,0,-my) (-y+1,-y+3/2,3/4;my,my,0) (y+1,-y+3/2,5/4;-my,my,0) 96j (x,1/2,0;0,my,mz) (x+1/2,1/2,1;0,-mz,my) (x+1/2,1/2,0;0,mz,-my) (1/2,1,-x+1/2;mz,my,0) (1/2,1,x+1/2;-mz,my,0) (0,x+1/2,1/2;-my,0,mz) (1,-x+1/2,1/2;my,0,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (1,x+1/2,1/2;my,0,-mz) (0,-x+1/2,1/2;-my,0,-mz) (-x+1/2,1/2,1;0,mz,my) (-x+1/2,1/2,0;0,-mz,-my) (1/2,0,x+1/2;mz,-my,0) (1/2,0,-x+1/2;-mz,-my,0) (0,x,1/2;mz,0,my) (1/2,0,x;my,mz,0) (-1/2,0,-x;-my,mz,0) (0,-x,1/2;-mz,0,my) (-1/2,0,x;-my,-mz,0) (0,-x,-1/2;mz,0,-my) (1/2,0,-x;my,-mz,0) (0,x,-1/2;-mz,0,-my) 96i (x,0,1/2;0,my,mz) (x+1/2,0,1/2;0,-mz,my) (x+1/2,1,1/2;0,mz,-my) (1,1/2,-x+1/2;mz,my,0) (0,1/2,x+1/2;-mz,my,0) (1/2,x+1/2,1;-my,0,mz) (1/2,-x+1/2,1;my,0,mz) (x,0,-1/2;0,-my,-mz) (-x,0,-1/2;0,my,-mz) (-x,0,1/2;0,-my,mz) (1/2,x+1/2,0;my,0,-mz) (1/2,-x+1/2,0;-my,0,-mz) (-x+1/2,1,1/2;0,mz,my) (-x+1/2,0,1/2;0,-mz,-my) (1,1/2,x+1/2;mz,-my,0) (0,1/2,-x+1/2;-mz,-my,0) (1/2,x,0;mz,0,my) (0,1/2,x;my,mz,0) (0,1/2,-x;-my,mz,0) (-1/2,-x,0;-mz,0,my) (0,-1/2,x;-my,-mz,0) (1/2,-x,0;mz,0,-my) (0,-1/2,-x;my,-mz,0) (-1/2,x,0;-mz,0,-my) 96h (x,0,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,1/2,x+1/2;0,0,mx) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x+1,1,1;-mx,0,0) (x+3/2,3/2,3/2;-mx,0,0) (3/2,3/2,-x+3/2;0,0,mx) (3/2,3/2,x+3/2;0,0,-mx) (3/2,x+3/2,3/2;0,-mx,0) (3/2,-x+3/2,3/2;0,mx,0) (-x+1,1,1;mx,0,0) (-x+3/2,3/2,3/2;mx,0,0) (1,x+1,1;0,-mx,0) (1,1,x+1;0,0,-mx) (1,1,-x+1;0,0,mx) (1,-x+1,1;0,mx,0) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (x+1,x+1,x+1;-mx,-mx,-mx) (x+3/2,-x+3/2,x+3/2;-mx,mx,-mx) (x+3/2,x+3/2,-x+3/2;-mx,-mx,mx) (-x+3/2,x+3/2,x+3/2;mx,-mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) (-x+3/2,-x+3/2,-x+3/2;mx,mx,mx) 48f (1/4,1/2,0;0,my,-my) (-1/4,1/2,0;0,my,my) (-1/4,-1/2,0;0,-my,-my) (-1/2,0,1/4;-my,my,0) (1/2,0,-1/4;my,my,0) (0,-1/4,-1/2;-my,0,-my) (0,1/4,-1/2;my,0,-my) (1/4,-1/2,0;0,-my,my) (0,-1/4,1/2;my,0,my) (0,1/4,1/2;-my,0,my) (-1/2,0,-1/4;-my,-my,0) (1/2,0,1/4;my,-my,0) 48e (1/4,0,1/2;0,my,-my) (-1/4,0,-1/2;0,my,my) (-1/4,0,1/2;0,-my,-my) (0,-1/2,1/4;-my,my,0) (0,-1/2,-1/4;my,my,0) (1/2,-1/4,0;-my,0,-my) (-1/2,1/4,0;my,0,-my) (1/4,0,-1/2;0,-my,my) (-1/2,-1/4,0;my,0,my) (1/2,1/4,0;-my,0,my) (0,1/2,-1/4;-my,-my,0) (0,1/2,1/4;my,-my,0) 48d (0,1/2,1/2;mx,0,0) (1/2,0,1;mx,0,0) (0,0,1/2;0,0,-mx) (0,1,1/2;0,0,mx) (0,1/2,1;0,mx,0) (0,1/2,0;0,-mx,0) (0,1/2,-1/2;-mx,0,0) (1/2,0,0;-mx,0,0) (1/2,0,1/2;0,mx,0) (1/2,1/2,0;0,0,mx) (1/2,-1/2,0;0,0,-mx) (1/2,0,-1/2;0,-mx,0) 32c (3/4,3/4,3/4;mx,mx,mx) (5/4,-1/4,5/4;mx,-mx,mx) (5/4,5/4,-1/4;mx,mx,-mx) (-1/4,5/4,5/4;-mx,mx,mx) (3/4,-3/4,-3/4;mx,-mx,-mx) (-3/4,3/4,-3/4;-mx,mx,-mx) (-3/4,-3/4,3/4;-mx,-mx,mx) (-1/4,-1/4,-1/4;-mx,-mx,-mx) 32b (1/4,1/4,1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (5/4,5/4,5/4;0,0,0) (3/4,5/4,3/4;0,0,0) (3/4,3/4,5/4;0,0,0) (5/4,3/4,3/4;0,0,0) 16a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) (1,1,1;0,0,0) (3/2,3/2,3/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/4,1/4,1/4) (4x-1|1/4,1/4,1/4) (4y|1/4,1/4,1/4) (4y-1|1/4,1/4,1/4) (4z|1/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,1/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,1/2)' (4x|3/4,3/4,3/4)' (4x-1|3/4,3/4,3/4)' (4y|3/4,3/4,3/4)' (4y-1|3/4,3/4,3/4)' (4z|3/4,3/4,3/4)' (4z-1|3/4,3/4,3/4)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|3/4,3/4,3/4)' (2-xy|3/4,3/4,3/4)' (2yz|3/4,3/4,3/4)' (2-yz|3/4,3/4,3/4)' (2xz|3/4,3/4,3/4)' (2-xz|3/4,3/4,3/4)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192m (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y+1/4;mx,mz,-my) (z+1/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+1/4,x+1/4;-mz,my,mx) (-y+1/4,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+1/4;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+1/4,z+1/4,y+1/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+1/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+3/4,-z+3/4,y+3/4;-mx,mz,-my) (x+3/4,z+3/4,-y+3/4;-mx,-mz,my) (z+3/4,y+3/4,-x+3/4;-mz,-my,mx) (-z+3/4,y+3/4,x+3/4;mz,-my,-mx) (-y+3/4,x+3/4,z+3/4;my,-mx,-mz) (y+3/4,-x+3/4,z+3/4;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+3/4,x+3/4,-z+3/4;-my,-mx,mz) (-y+3/4,-x+3/4,-z+3/4;my,mx,mz) (-x+3/4,z+3/4,y+3/4;mx,-mz,-my) (-x+3/4,-z+3/4,-y+3/4;mx,mz,my) (z+3/4,-y+3/4,x+3/4;-mz,my,-mx) (-z+3/4,-y+3/4,-x+3/4;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 96l (1/8,y,y+1/4;mx,my,-my) (3/8,-y,y+1/4;mx,my,my) (3/8,y+1/2,-y+1/4;mx,-my,-my) (y+1/2,y+1/4,1/8;-my,my,-mx) (-y,y+1/4,3/8;my,my,mx) (-y+1/4,3/8,y+1/2;-my,mx,-my) (y+1/4,1/8,y+1/2;my,-mx,-my) (1/8,-y,-y+3/4;mx,-my,my) (7/8,y,-y+3/4;-mx,my,my) (7/8,-y,y+1/4;-mx,-my,-my) (y+1/4,3/8,-y;my,mx,my) (-y+1/4,1/8,-y;-my,-mx,my) (1/8,y+1/2,y+1/4;-mx,-my,my) (1/8,-y,-y+1/4;-mx,my,-my) (y+1/2,-y+1/4,3/8;-my,-my,mx) (-y,-y+1/4,1/8;my,-my,-mx) (y+1/4,1/8,y;-my,mx,my) (y,y+1/4,1/8;my,-my,mx) (-y,y+1/4,7/8;-my,-my,-mx) (-y+3/4,7/8,y;my,-mx,my) (-y,-y+3/4,1/8;-my,my,mx) (y+1/4,7/8,-y;-my,-mx,-my) (y,-y+3/4,7/8;my,my,-mx) (-y+3/4,1/8,-y;my,mx,-my) 96k (1/8,y,-y+1/4;0,my,-my) (7/8,y,y+3/4;0,my,my) (7/8,-y,-y+1/4;0,-my,-my) (-y,y+3/4,1/8;-my,my,0) (y,y+3/4,7/8;my,my,0) (-y+1/4,7/8,-y;-my,0,-my) (y+3/4,1/8,-y;my,0,-my) (1/8,-y,y+3/4;0,-my,my) (y+3/4,7/8,y;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y,-y+1/4,7/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) (1/8,y,-y+3/4;0,-my,my) (3/8,y+1/2,y+1/4;0,-my,-my) (3/8,-y+1/2,-y+3/4;0,my,my) (-y+1/2,y+1/4,5/8;my,-my,0) (y+1/2,y+1/4,3/8;-my,-my,0) (-y+3/4,3/8,-y+1/2;my,0,my) (y+1/4,5/8,-y+1/2;-my,0,my) (5/8,-y+1/2,y+1/4;0,my,-my) (y+1/4,3/8,y+1/2;-my,0,-my) (-y+3/4,5/8,y+1/2;my,0,-my) (-y+1/2,-y+3/4,3/8;my,my,0) (y+1/2,-y+3/4,5/8;-my,my,0) 96j (x,1/4,0;0,my,mz) (x+1/4,1/4,1/2;0,-mz,my) (x+1/4,1/4,0;0,mz,-my) (1/4,1/2,-x+1/4;mz,my,0) (1/4,1/2,x+1/4;-mz,my,0) (0,x+1/4,1/4;-my,0,mz) (1/2,-x+1/4,1/4;my,0,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) (1/2,x+1/4,1/4;my,0,-mz) (0,-x+1/4,1/4;-my,0,-mz) (-x+1/4,1/4,1/2;0,mz,my) (-x+1/4,1/4,0;0,-mz,-my) (1/4,0,x+1/4;mz,-my,0) (1/4,0,-x+1/4;-mz,-my,0) (0,x,1/4;mz,0,my) (1/4,0,x;my,mz,0) (3/4,0,-x;-my,mz,0) (0,-x,1/4;-mz,0,my) (3/4,0,x;-my,-mz,0) (0,-x,3/4;mz,0,-my) (1/4,0,-x;my,-mz,0) (0,x,3/4;-mz,0,-my) 96i (x,0,1/4;0,my,mz) (x+1/4,0,1/4;0,-mz,my) (x+1/4,1/2,1/4;0,mz,-my) (1/2,1/4,-x+1/4;mz,my,0) (0,1/4,x+1/4;-mz,my,0) (1/4,x+1/4,1/2;-my,0,mz) (1/4,-x+1/4,1/2;my,0,mz) (x,0,3/4;0,-my,-mz) (-x,0,3/4;0,my,-mz) (-x,0,1/4;0,-my,mz) (1/4,x+1/4,0;my,0,-mz) (1/4,-x+1/4,0;-my,0,-mz) (-x+1/4,1/2,1/4;0,mz,my) (-x+1/4,0,1/4;0,-mz,-my) (1/2,1/4,x+1/4;mz,-my,0) (0,1/4,-x+1/4;-mz,-my,0) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (0,1/4,-x;-my,mz,0) (3/4,-x,0;-mz,0,my) (0,3/4,x;-my,-mz,0) (1/4,-x,0;mz,0,-my) (0,3/4,-x;my,-mz,0) (3/4,x,0;-mz,0,-my) 96h (x,0,0;mx,0,0) (x+1/4,1/4,1/4;mx,0,0) (1/4,1/4,-x+1/4;0,0,-mx) (1/4,1/4,x+1/4;0,0,mx) (1/4,x+1/4,1/4;0,mx,0) (1/4,-x+1/4,1/4;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/4,1/4,1/4;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (x+3/4,3/4,3/4;-mx,0,0) (3/4,3/4,-x+3/4;0,0,mx) (3/4,3/4,x+3/4;0,0,-mx) (3/4,x+3/4,3/4;0,-mx,0) (3/4,-x+3/4,3/4;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) (-x+3/4,3/4,3/4;mx,0,0) (1/2,x+1/2,1/2;0,-mx,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) 64g (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+1/4,x+1/4;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (x,x,x+1/2;-mx,-mx,-mx) (x+3/4,-x+3/4,x+3/4;-mx,mx,-mx) (x+3/4,x+3/4,-x+3/4;-mx,-mx,mx) (-x+3/4,x+3/4,x+3/4;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+3/4,-x+3/4,-x+3/4;mx,mx,mx) 48f (1/8,1/4,0;0,my,-my) (7/8,1/4,0;0,my,my) (7/8,3/4,0;0,-my,-my) (3/4,0,1/8;-my,my,0) (1/4,0,7/8;my,my,0) (0,7/8,3/4;-my,0,-my) (0,1/8,3/4;my,0,-my) (1/8,3/4,0;0,-my,my) (0,7/8,1/4;my,0,my) (0,1/8,1/4;-my,0,my) (3/4,0,7/8;-my,-my,0) (1/4,0,1/8;my,-my,0) 48e (1/8,0,1/4;0,my,-my) (7/8,0,3/4;0,my,my) (7/8,0,1/4;0,-my,-my) (0,3/4,1/8;-my,my,0) (0,3/4,7/8;my,my,0) (1/4,7/8,0;-my,0,-my) (3/4,1/8,0;my,0,-my) (1/8,0,3/4;0,-my,my) (3/4,7/8,0;my,0,my) (1/4,1/8,0;-my,0,my) (0,1/4,7/8;-my,-my,0) (0,1/4,1/8;my,-my,0) 48d (0,1/4,1/4;mx,0,0) (1/4,0,1/2;mx,0,0) (0,0,1/4;0,0,-mx) (0,1/2,1/4;0,0,mx) (0,1/4,1/2;0,mx,0) (0,1/4,0;0,-mx,0) (0,1/4,3/4;-mx,0,0) (1/4,0,0;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 32c (3/8,3/8,3/8;mx,mx,mx) (5/8,7/8,5/8;mx,-mx,mx) (5/8,5/8,7/8;mx,mx,-mx) (7/8,5/8,5/8;-mx,mx,mx) (3/8,5/8,5/8;mx,-mx,-mx) (5/8,3/8,5/8;-mx,mx,-mx) (5/8,5/8,3/8;-mx,-mx,mx) (7/8,7/8,7/8;-mx,-mx,-mx) 32b (1/8,1/8,1/8;0,0,0) (7/8,1/8,7/8;0,0,0) (7/8,7/8,1/8;0,0,0) (1/8,7/8,7/8;0,0,0) (1/8,1/8,5/8;0,0,0) (3/8,5/8,3/8;0,0,0) (3/8,3/8,5/8;0,0,0) (5/8,3/8,3/8;0,0,0) 16a (0,0,0;0,0,0) (1/4,1/4,1/4;0,0,0) (0,0,1/2;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 209.1.1550 F432 UNI: 209.48 F432.1 BNS: 209.48 F432 Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96j (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 48i (x,1/4,1/4;mx,0,0) (x,3/4,1/4;mx,0,0) (3/4,3/4,-x;0,0,-mx) (3/4,1/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) (3/4,-x,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 48h (1/2,y,y;0,my,my) (1/2,-y,y;0,-my,my) (1/2,y,-y;0,my,-my) (y,y,1/2;my,my,0) (-y,y,1/2;-my,my,0) (-y,1/2,y;-my,0,my) (y,1/2,y;my,0,my) (1/2,-y,-y;0,-my,-my) (y,1/2,-y;my,0,-my) (-y,1/2,-y;-my,0,-my) (y,-y,1/2;my,-my,0) (-y,-y,1/2;-my,-my,0) 48g (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 32f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 24e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 209.2.1551 F4321' UNI: 209.49 F432.1' BNS: 209.49 F4321' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96j (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 48i (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 48h (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 48g (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 32f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 209.3.1552 F4'32' UNI: 209.50 F4'32' BNS: 209.50 F4'32' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96j (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 48i (x,1/4,1/4;mx,0,0) (x,3/4,1/4;-mx,0,0) (3/4,3/4,-x;0,0,mx) (3/4,1/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) (3/4,-x,3/4;0,mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 48h (1/2,y,y;mx,my,-my) (1/2,-y,y;-mx,-my,-my) (1/2,y,-y;-mx,my,my) (y,y,1/2;my,-my,mx) (-y,y,1/2;-my,-my,-mx) (-y,1/2,y;my,-mx,my) (y,1/2,y;-my,mx,my) (1/2,-y,-y;mx,-my,my) (y,1/2,-y;-my,-mx,-my) (-y,1/2,-y;my,mx,-my) (y,-y,1/2;my,my,-mx) (-y,-y,1/2;-my,my,mx) 48g (0,y,y;mx,my,-my) (0,-y,y;-mx,-my,-my) (0,y,-y;-mx,my,my) (y,y,0;my,-my,mx) (-y,y,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (y,0,y;-my,mx,my) (0,-y,-y;mx,-my,my) (y,0,-y;-my,-mx,-my) (-y,0,-y;my,mx,-my) (y,-y,0;my,my,-mx) (-y,-y,0;-my,my,mx) 32f (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) (1/4,0,1/4;0,mx,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 210.1.1553 F4_132 UNI: 210.52 F4_132.1 BNS: 210.52 F4_132 Operators: (1|0,0,0) (4x|1/4,1/4,1/4) (4x-1|1/4,1/4,1/4) (4y|1/4,1/4,1/4) (4y-1|1/4,1/4,1/4) (4z|1/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,1/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y+1/4;mx,mz,-my) (z+1/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+1/4,x+1/4;-mz,my,mx) (-y+1/4,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+1/4;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+1/4,z+1/4,y+1/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+1/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 48g (1/8,y,-y+1/4;0,my,-my) (7/8,y,y+3/4;0,my,my) (7/8,-y,-y+1/4;0,-my,-my) (-y,y+3/4,1/8;-my,my,0) (y,y+3/4,7/8;my,my,0) (-y+1/4,7/8,-y;-my,0,-my) (y+3/4,1/8,-y;my,0,-my) (1/8,-y,y+3/4;0,-my,my) (y+3/4,7/8,y;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y,-y+1/4,7/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) 48f (x,0,0;mx,0,0) (x+1/4,1/4,1/4;mx,0,0) (1/4,1/4,-x+1/4;0,0,-mx) (1/4,1/4,x+1/4;0,0,mx) (1/4,x+1/4,1/4;0,mx,0) (1/4,-x+1/4,1/4;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/4,1/4,1/4;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+1/4,x+1/4;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) 16d (5/8,5/8,5/8;0,0,0) (3/8,5/8,3/8;0,0,0) (3/8,3/8,5/8;0,0,0) (5/8,3/8,3/8;0,0,0) 16c (1/8,1/8,1/8;0,0,0) (7/8,1/8,7/8;0,0,0) (7/8,7/8,1/8;0,0,0) (1/8,7/8,7/8;0,0,0) 8b (1/2,1/2,1/2;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 210.2.1554 F4_1321' UNI: 210.53 F4_132.1' BNS: 210.53 F4_1321' Operators: (1|0,0,0) (4x|1/4,1/4,1/4) (4x-1|1/4,1/4,1/4) (4y|1/4,1/4,1/4) (4y-1|1/4,1/4,1/4) (4z|1/4,1/4,1/4) (4z-1|1/4,1/4,1/4) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,1/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (4x|1/4,1/4,1/4)' (4x-1|1/4,1/4,1/4)' (4y|1/4,1/4,1/4)' (4y-1|1/4,1/4,1/4)' (4z|1/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|1/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,1/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,1/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;0,0,0) (x+1/4,-z+1/4,y+1/4;0,0,0) (x+1/4,z+1/4,-y+1/4;0,0,0) (z+1/4,y+1/4,-x+1/4;0,0,0) (-z+1/4,y+1/4,x+1/4;0,0,0) (-y+1/4,x+1/4,z+1/4;0,0,0) (y+1/4,-x+1/4,z+1/4;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/4,x+1/4,-z+1/4;0,0,0) (-y+1/4,-x+1/4,-z+1/4;0,0,0) (-x+1/4,z+1/4,y+1/4;0,0,0) (-x+1/4,-z+1/4,-y+1/4;0,0,0) (z+1/4,-y+1/4,x+1/4;0,0,0) (-z+1/4,-y+1/4,-x+1/4;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 48g (1/8,y,-y+1/4;0,0,0) (7/8,y,y+3/4;0,0,0) (7/8,-y,-y+1/4;0,0,0) (-y,y+3/4,1/8;0,0,0) (y,y+3/4,7/8;0,0,0) (-y+1/4,7/8,-y;0,0,0) (y+3/4,1/8,-y;0,0,0) (1/8,-y,y+3/4;0,0,0) (y+3/4,7/8,y;0,0,0) (-y+1/4,1/8,y;0,0,0) (-y,-y+1/4,7/8;0,0,0) (y,-y+1/4,1/8;0,0,0) 48f (x,0,0;0,0,0) (x+1/4,1/4,1/4;0,0,0) (1/4,1/4,-x+1/4;0,0,0) (1/4,1/4,x+1/4;0,0,0) (1/4,x+1/4,1/4;0,0,0) (1/4,-x+1/4,1/4;0,0,0) (-x,0,0;0,0,0) (-x+1/4,1/4,1/4;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 32e (x,x,x;0,0,0) (x+1/4,-x+1/4,x+1/4;0,0,0) (x+1/4,x+1/4,-x+1/4;0,0,0) (-x+1/4,x+1/4,x+1/4;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/4,-x+1/4,-x+1/4;0,0,0) 16d (5/8,5/8,5/8;0,0,0) (3/8,5/8,3/8;0,0,0) (3/8,3/8,5/8;0,0,0) (5/8,3/8,3/8;0,0,0) 16c (1/8,1/8,1/8;0,0,0) (7/8,1/8,7/8;0,0,0) (7/8,7/8,1/8;0,0,0) (1/8,7/8,7/8;0,0,0) 8b (1/2,1/2,1/2;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 210.3.1555 F4_1'32' UNI: 210.54 F4_1'32' BNS: 210.54 F4_1'32' Operators: (1|0,0,0) (4x|1/4,1/4,1/4)' (4x-1|1/4,1/4,1/4)' (4y|1/4,1/4,1/4)' (4y-1|1/4,1/4,1/4)' (4z|1/4,1/4,1/4)' (4z-1|1/4,1/4,1/4)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,1/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,1/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y+1/4;-mx,-mz,my) (z+1/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+1/4,x+1/4;mz,-my,-mx) (-y+1/4,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+1/4;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+1/4,z+1/4,y+1/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+1/4,-y+1/4,x+1/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 48g (1/8,y,-y+1/4;mx,my,my) (7/8,y,y+3/4;-mx,my,-my) (7/8,-y,-y+1/4;-mx,-my,my) (-y,y+3/4,1/8;-my,-my,mx) (y,y+3/4,7/8;my,-my,-mx) (-y+1/4,7/8,-y;my,-mx,-my) (y+3/4,1/8,-y;-my,mx,-my) (1/8,-y,y+3/4;mx,-my,-my) (y+3/4,7/8,y;-my,-mx,my) (-y+1/4,1/8,y;my,mx,my) (-y,-y+1/4,7/8;-my,my,-mx) (y,-y+1/4,1/8;my,my,mx) 48f (x,0,0;mx,0,0) (x+1/4,1/4,1/4;-mx,0,0) (1/4,1/4,-x+1/4;0,0,mx) (1/4,1/4,x+1/4;0,0,-mx) (1/4,x+1/4,1/4;0,-mx,0) (1/4,-x+1/4,1/4;0,mx,0) (-x,0,0;-mx,0,0) (-x+1/4,1/4,1/4;mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+1/4,x+1/4;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) 16d (5/8,5/8,5/8;mx,mx,mx) (3/8,5/8,3/8;-mx,mx,-mx) (3/8,3/8,5/8;-mx,-mx,mx) (5/8,3/8,3/8;mx,-mx,-mx) 16c (1/8,1/8,1/8;mx,mx,mx) (7/8,1/8,7/8;-mx,mx,-mx) (7/8,7/8,1/8;-mx,-mx,mx) (1/8,7/8,7/8;mx,-mx,-mx) 8b (1/2,1/2,1/2;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 211.1.1556 I432 UNI: 211.56 I432.1 BNS: 211.56 I432 Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48j (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 24i (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) 24h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 24g (x,1/2,0;mx,0,0) (x,0,1/2;mx,0,0) (0,1/2,-x;0,0,-mx) (0,1/2,x;0,0,mx) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 12e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 211.2.1557 I4321' UNI: 211.57 I432.1' BNS: 211.57 I4321' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48j (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) 24i (1/4,y,-y+1/2;0,0,0) (3/4,y,y+1/2;0,0,0) (3/4,-y,-y+1/2;0,0,0) (-y,y+1/2,1/4;0,0,0) (y,y+1/2,3/4;0,0,0) (-y+1/2,3/4,-y;0,0,0) (y+1/2,1/4,-y;0,0,0) (1/4,-y,y+1/2;0,0,0) (y+1/2,3/4,y;0,0,0) (-y+1/2,1/4,y;0,0,0) (-y,-y+1/2,3/4;0,0,0) (y,-y+1/2,1/4;0,0,0) 24h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 24g (x,1/2,0;0,0,0) (x,0,1/2;0,0,0) (0,1/2,-x;0,0,0) (0,1/2,x;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 211.3.1558 I4'32' UNI: 211.58 I4'32' BNS: 211.58 I4'32' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48j (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) 24i (1/4,y,-y+1/2;mx,my,my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (-y,y+1/2,1/4;-my,-my,mx) (y,y+1/2,3/4;my,-my,-mx) (-y+1/2,3/4,-y;my,-mx,-my) (y+1/2,1/4,-y;-my,mx,-my) (1/4,-y,y+1/2;mx,-my,-my) (y+1/2,3/4,y;-my,-mx,my) (-y+1/2,1/4,y;my,mx,my) (-y,-y+1/2,3/4;-my,my,-mx) (y,-y+1/2,1/4;my,my,mx) 24h (0,y,y;mx,my,-my) (0,-y,y;-mx,-my,-my) (0,y,-y;-mx,my,my) (y,y,0;my,-my,mx) (-y,y,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (y,0,y;-my,mx,my) (0,-y,-y;mx,-my,my) (y,0,-y;-my,-mx,-my) (-y,0,-y;my,mx,-my) (y,-y,0;my,my,-mx) (-y,-y,0;-my,my,mx) 24g (x,1/2,0;mx,0,0) (x,0,1/2;-mx,0,0) (0,1/2,-x;0,0,mx) (0,1/2,x;0,0,-mx) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) (0,1/4,1/2;0,mx,0) 8c (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 211.4.1559 I_P432 UNI: 207.43 P432.1'_I[I432] BNS: 207.43 P_I432 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48j (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 24i (1/4,y,-y+1/2;mx,my,my) (1/4,y-1/2,y;mx,-my,my) (1/4,-y+1/2,-y;mx,my,-my) (-y+1/2,y,-1/4;my,my,-mx) (y-1/2,y,1/4;-my,my,mx) (-y,1/4,-y+1/2;-my,mx,my) (y,-1/4,-y+1/2;my,-mx,my) (1/4,-y,y-1/2;mx,-my,-my) (-1/4,y,y-1/2;-mx,my,-my) (-1/4,-y,-y+1/2;-mx,-my,my) (y,1/4,y-1/2;my,mx,-my) (-y,-1/4,y-1/2;-my,-mx,-my) (-1/4,-y+1/2,y;-mx,my,my) (-1/4,y-1/2,-y;-mx,-my,-my) (-y+1/2,-y,1/4;my,-my,mx) (y-1/2,-y,-1/4;-my,-my,-mx) (-y+1/2,1/4,y;my,mx,my) (y,-y+1/2,1/4;my,my,mx) (-y,-y+1/2,-1/4;-my,my,-mx) (y-1/2,-1/4,y;-my,-mx,my) (-y,y-1/2,1/4;-my,-my,mx) (-y+1/2,-1/4,-y;my,-mx,-my) (y,y-1/2,-1/4;my,-my,-mx) (y-1/2,1/4,-y;-my,mx,-my) 24h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) (1/2,y+1/2,y+1/2;0,-my,-my) (1/2,-y+1/2,y+1/2;0,my,-my) (1/2,y+1/2,-y+1/2;0,-my,my) (y+1/2,y+1/2,1/2;-my,-my,0) (-y+1/2,y+1/2,1/2;my,-my,0) (-y+1/2,1/2,y+1/2;my,0,-my) (y+1/2,1/2,y+1/2;-my,0,-my) (1/2,-y+1/2,-y+1/2;0,my,my) (y+1/2,1/2,-y+1/2;-my,0,my) (-y+1/2,1/2,-y+1/2;my,0,my) (y+1/2,-y+1/2,1/2;-my,my,0) (-y+1/2,-y+1/2,1/2;my,my,0) 24g (x,1/2,0;mx,0,0) (x,0,1/2;mx,0,0) (0,-1/2,-x;0,0,-mx) (0,1/2,x;0,0,mx) (-1/2,x,0;0,mx,0) (-1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,-1/2;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,-1/2;0,-mx,0) (x+1/2,1,1/2;-mx,0,0) (x+1/2,1/2,1;-mx,0,0) (1/2,0,-x+1/2;0,0,mx) (1/2,1,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) (0,-x+1/2,1/2;0,mx,0) (-x+1/2,1,1/2;mx,0,0) (-x+1/2,1/2,0;mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) 12e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 12d (1/4,1/2,0;mx,0,0) (1/4,0,1/2;mx,0,0) (0,-1/2,-1/4;0,0,-mx) (0,1/2,1/4;0,0,mx) (-1/2,1/4,0;0,mx,0) (-1/2,-1/4,0;0,-mx,0) (-1/4,1/2,0;-mx,0,0) (-1/4,0,-1/2;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,-1/4;0,0,-mx) (0,-1/4,-1/2;0,-mx,0) 8c (1/4,1/4,1/4;mx,mx,mx) (1/4,-1/4,1/4;mx,-mx,mx) (1/4,1/4,-1/4;mx,mx,-mx) (-1/4,1/4,1/4;-mx,mx,mx) (1/4,-1/4,-1/4;mx,-mx,-mx) (-1/4,1/4,-1/4;-mx,mx,-mx) (-1/4,-1/4,1/4;-mx,-mx,mx) (-1/4,-1/4,-1/4;-mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1,1;0,0,0) (1,1,1/2;0,0,0) (1,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 48j (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 24i (1/4,y,-y+1/2;mx,my,my) (1/4,y+1/2,y;mx,-my,my) (1/4,-y+1/2,-y;mx,my,-my) (-y+1/2,y,3/4;my,my,-mx) (y+1/2,y,1/4;-my,my,mx) (-y,1/4,-y+1/2;-my,mx,my) (y,3/4,-y+1/2;my,-mx,my) (1/4,-y,y+1/2;mx,-my,-my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (y,1/4,y+1/2;my,mx,-my) (-y,3/4,y+1/2;-my,-mx,-my) (3/4,-y+1/2,y;-mx,my,my) (3/4,y+1/2,-y;-mx,-my,-my) (-y+1/2,-y,1/4;my,-my,mx) (y+1/2,-y,3/4;-my,-my,-mx) (-y+1/2,1/4,y;my,mx,my) (y,-y+1/2,1/4;my,my,mx) (-y,-y+1/2,3/4;-my,my,-mx) (y+1/2,3/4,y;-my,-mx,my) (-y,y+1/2,1/4;-my,-my,mx) (-y+1/2,3/4,-y;my,-mx,-my) (y,y+1/2,3/4;my,-my,-mx) (y+1/2,1/4,-y;-my,mx,-my) 24h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) (1/2,y+1/2,y+1/2;0,-my,-my) (1/2,-y+1/2,y+1/2;0,my,-my) (1/2,y+1/2,-y+1/2;0,-my,my) (y+1/2,y+1/2,1/2;-my,-my,0) (-y+1/2,y+1/2,1/2;my,-my,0) (-y+1/2,1/2,y+1/2;my,0,-my) (y+1/2,1/2,y+1/2;-my,0,-my) (1/2,-y+1/2,-y+1/2;0,my,my) (y+1/2,1/2,-y+1/2;-my,0,my) (-y+1/2,1/2,-y+1/2;my,0,my) (y+1/2,-y+1/2,1/2;-my,my,0) (-y+1/2,-y+1/2,1/2;my,my,0) 24g (x,1/2,0;mx,0,0) (x,0,1/2;mx,0,0) (0,1/2,-x;0,0,-mx) (0,1/2,x;0,0,mx) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) (x+1/2,1/2,0;-mx,0,0) (1/2,0,-x+1/2;0,0,mx) (1/2,0,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) (0,-x+1/2,1/2;0,mx,0) (-x+1/2,0,1/2;mx,0,0) (-x+1/2,1/2,0;mx,0,0) (1/2,x+1/2,0;0,-mx,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) 12e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x+1/2,1/2,1/2;mx,0,0) 12d (1/4,1/2,0;mx,0,0) (1/4,0,1/2;mx,0,0) (0,1/2,3/4;0,0,-mx) (0,1/2,1/4;0,0,mx) (1/2,1/4,0;0,mx,0) (1/2,3/4,0;0,-mx,0) (3/4,1/2,0;-mx,0,0) (3/4,0,1/2;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) 8c (1/4,1/4,1/4;mx,mx,mx) (1/4,3/4,1/4;mx,-mx,mx) (1/4,1/4,3/4;mx,mx,-mx) (3/4,1/4,1/4;-mx,mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (3/4,3/4,3/4;-mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 211.5.1560 I_P4'32' UNI: 208.47 P4_232.1'_I[I432] BNS: 208.47 P_I4_232 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 24i (1/4,y,-y+1/2;0,my,-my) (-1/4,y,y-1/2;0,my,my) (-1/4,-y,-y+1/2;0,-my,-my) (-y,y-1/2,1/4;-my,my,0) (y,y-1/2,-1/4;my,my,0) (-y+1/2,-1/4,-y;-my,0,-my) (y-1/2,1/4,-y;my,0,-my) (1/4,-y,y-1/2;0,-my,my) (y-1/2,-1/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,-1/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (3/4,y+1/2,-y+1;0,-my,my) (1/4,y+1/2,y;0,-my,-my) (1/4,-y+1/2,-y+1;0,my,my) (-y+1/2,y,3/4;my,-my,0) (y+1/2,y,1/4;-my,-my,0) (-y+1,1/4,-y+1/2;my,0,my) (y,3/4,-y+1/2;-my,0,my) (3/4,-y+1/2,y;0,my,-my) (y,1/4,y+1/2;-my,0,-my) (-y+1,3/4,y+1/2;my,0,-my) (-y+1/2,-y+1,1/4;my,my,0) (y+1/2,-y+1,3/4;-my,my,0) 24h (0,y,y;mx,my,-my) (1/2,-y+1/2,y+1/2;mx,my,my) (1/2,y+1/2,-y+1/2;mx,-my,-my) (y+1/2,y+1/2,1/2;-my,my,-mx) (-y+1/2,y+1/2,1/2;my,my,mx) (-y+1/2,1/2,y+1/2;-my,mx,-my) (y+1/2,1/2,y+1/2;my,-mx,-my) (0,-y,-y;mx,-my,my) (0,y,-y;-mx,my,my) (0,-y,y;-mx,-my,-my) (y+1/2,1/2,-y+1/2;my,mx,my) (-y+1/2,1/2,-y+1/2;-my,-mx,my) (1/2,y+1/2,y+1/2;-mx,-my,my) (1/2,-y+1/2,-y+1/2;-mx,my,-my) (y+1/2,-y+1/2,1/2;-my,-my,mx) (-y+1/2,-y+1/2,1/2;my,-my,-mx) (y,0,y;-my,mx,my) (y,y,0;my,-my,mx) (-y,y,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (-y,-y,0;-my,my,mx) (y,0,-y;-my,-mx,-my) (y,-y,0;my,my,-mx) (-y,0,-y;my,mx,-my) 24g (x,1/2,0;mx,0,0) (x+1/2,1/2,1;mx,0,0) (1/2,0,-x+1/2;0,0,-mx) (1/2,1,x+1/2;0,0,mx) (0,x+1/2,1/2;0,mx,0) (0,-x+1/2,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,-1/2;0,-mx,0) (x+1/2,1,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (0,-1/2,-x;0,0,mx) (0,1/2,x;0,0,-mx) (-1/2,x,0;0,-mx,0) (-1/2,-x,0;0,mx,0) (-x+1/2,1,1/2;mx,0,0) (-x,0,-1/2;mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 16f (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x,-x,-x;mx,mx,mx) 12e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,1/2,0;0,0,0) (-1/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (0,-1/4,-1/2;0,0,0) (0,1/4,1/2;0,0,0) (3/4,1,1/2;0,0,0) (1/4,1,1/2;0,0,0) (1,1/2,3/4;0,0,0) (1,1/2,1/4;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,1;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 48j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) 24i (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (3/4,y+1/2,-y;0,-my,my) (1/4,y+1/2,y;0,-my,-my) (1/4,-y+1/2,-y;0,my,my) (-y+1/2,y,3/4;my,-my,0) (y+1/2,y,1/4;-my,-my,0) (-y,1/4,-y+1/2;my,0,my) (y,3/4,-y+1/2;-my,0,my) (3/4,-y+1/2,y;0,my,-my) (y,1/4,y+1/2;-my,0,-my) (-y,3/4,y+1/2;my,0,-my) (-y+1/2,-y,1/4;my,my,0) (y+1/2,-y,3/4;-my,my,0) 24h (0,y,y;mx,my,-my) (1/2,-y+1/2,y+1/2;mx,my,my) (1/2,y+1/2,-y+1/2;mx,-my,-my) (y+1/2,y+1/2,1/2;-my,my,-mx) (-y+1/2,y+1/2,1/2;my,my,mx) (-y+1/2,1/2,y+1/2;-my,mx,-my) (y+1/2,1/2,y+1/2;my,-mx,-my) (0,-y,-y;mx,-my,my) (0,y,-y;-mx,my,my) (0,-y,y;-mx,-my,-my) (y+1/2,1/2,-y+1/2;my,mx,my) (-y+1/2,1/2,-y+1/2;-my,-mx,my) (1/2,y+1/2,y+1/2;-mx,-my,my) (1/2,-y+1/2,-y+1/2;-mx,my,-my) (y+1/2,-y+1/2,1/2;-my,-my,mx) (-y+1/2,-y+1/2,1/2;my,-my,-mx) (y,0,y;-my,mx,my) (y,y,0;my,-my,mx) (-y,y,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (-y,-y,0;-my,my,mx) (y,0,-y;-my,-mx,-my) (y,-y,0;my,my,-mx) (-y,0,-y;my,mx,-my) 24g (x,1/2,0;mx,0,0) (x+1/2,1/2,0;mx,0,0) (1/2,0,-x+1/2;0,0,-mx) (1/2,0,x+1/2;0,0,mx) (0,x+1/2,1/2;0,mx,0) (0,-x+1/2,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) (x,0,1/2;-mx,0,0) (0,1/2,-x;0,0,mx) (0,1/2,x;0,0,-mx) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x+1/2,0,1/2;mx,0,0) (-x,0,1/2;mx,0,0) (1/2,x+1/2,0;0,-mx,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) 16f (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (-x,-x,-x;mx,mx,mx) 12e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/4,0,1/2;0,0,0) (0,1/2,3/4;0,0,0) (0,1/2,1/4;0,0,0) (1/2,1/4,0;0,0,0) (1/2,3/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 212.1.1561 P4_332 UNI: 212.59 P4_332.1 BNS: 212.59 P4_332 Operators: (1|0,0,0) (4x|3/4,3/4,1/4) (4x-1|1/4,3/4,3/4) (4y|1/4,3/4,3/4) (4y-1|3/4,1/4,3/4) (4z|3/4,1/4,3/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|1/4,3/4,3/4) (2-xy|1/4,1/4,1/4) (2yz|3/4,1/4,3/4) (2-yz|1/4,1/4,1/4) (2xz|3/4,3/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;mx,my,mz) (x+3/4,-z+3/4,y+1/4;mx,-mz,my) (x+1/4,z+3/4,-y+3/4;mx,mz,-my) (z+1/4,y+3/4,-x+3/4;mz,my,-mx) (-z+3/4,y+1/4,x+3/4;-mz,my,mx) (-y+3/4,x+1/4,z+3/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+1/4,x+3/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+3/4,z+1/4,y+3/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+3/4,-y+3/4,x+1/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) 12d (1/8,y,-y+1/4;0,my,-my) (7/8,y+1/2,y+1/4;0,my,my) (3/8,-y,-y+3/4;0,-my,-my) (-y+1/2,y+3/4,5/8;-my,my,0) (y+1/2,y+1/4,7/8;my,my,0) (-y+3/4,3/8,-y;-my,0,-my) (y+3/4,5/8,-y+1/2;my,0,-my) (5/8,-y+1/2,y+3/4;0,-my,my) (y+1/4,7/8,y+1/2;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y,-y+3/4,3/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) 8c (x,x,x;mx,mx,mx) (x+3/4,-x+3/4,x+1/4;mx,-mx,mx) (x+1/4,x+3/4,-x+3/4;mx,mx,-mx) (-x+3/4,x+1/4,x+3/4;-mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) 4b (5/8,5/8,5/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) 4a (1/8,1/8,1/8;0,0,0) (7/8,5/8,3/8;0,0,0) (3/8,7/8,5/8;0,0,0) (5/8,3/8,7/8;0,0,0) ---------- OG: 212.2.1562 P4_3321' UNI: 212.60 P4_332.1' BNS: 212.60 P4_3321' Operators: (1|0,0,0) (4x|3/4,3/4,1/4) (4x-1|1/4,3/4,3/4) (4y|1/4,3/4,3/4) (4y-1|3/4,1/4,3/4) (4z|3/4,1/4,3/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|1/4,3/4,3/4) (2-xy|1/4,1/4,1/4) (2yz|3/4,1/4,3/4) (2-yz|1/4,1/4,1/4) (2xz|3/4,3/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|0,0,0)' (4x|3/4,3/4,1/4)' (4x-1|1/4,3/4,3/4)' (4y|1/4,3/4,3/4)' (4y-1|3/4,1/4,3/4)' (4z|3/4,1/4,3/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (2xy|1/4,3/4,3/4)' (2-xy|1/4,1/4,1/4)' (2yz|3/4,1/4,3/4)' (2-yz|1/4,1/4,1/4)' (2xz|3/4,3/4,1/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,1/2,1/2)' (3-xyz-1|1/2,0,1/2)' (3x-yz|1/2,0,1/2)' (3x-yz-1|1/2,1/2,0)' (3xy-z|1/2,1/2,0)' (3xy-z-1|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;0,0,0) (x+3/4,-z+3/4,y+1/4;0,0,0) (x+1/4,z+3/4,-y+3/4;0,0,0) (z+1/4,y+3/4,-x+3/4;0,0,0) (-z+3/4,y+1/4,x+3/4;0,0,0) (-y+3/4,x+1/4,z+3/4;0,0,0) (y+3/4,-x+3/4,z+1/4;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (y+1/4,x+3/4,-z+3/4;0,0,0) (-y+1/4,-x+1/4,-z+1/4;0,0,0) (-x+3/4,z+1/4,y+3/4;0,0,0) (-x+1/4,-z+1/4,-y+1/4;0,0,0) (z+3/4,-y+3/4,x+1/4;0,0,0) (-z+1/4,-y+1/4,-x+1/4;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z+1/2,-x+1/2;0,0,0) (-z+1/2,-x,y+1/2;0,0,0) (-y+1/2,-z,x+1/2;0,0,0) (z+1/2,-x+1/2,-y;0,0,0) (y+1/2,-z+1/2,-x;0,0,0) (-z,x+1/2,-y+1/2;0,0,0) 12d (1/8,y,-y+1/4;0,0,0) (7/8,y+1/2,y+1/4;0,0,0) (3/8,-y,-y+3/4;0,0,0) (-y+1/2,y+3/4,5/8;0,0,0) (y+1/2,y+1/4,7/8;0,0,0) (-y+3/4,3/8,-y;0,0,0) (y+3/4,5/8,-y+1/2;0,0,0) (5/8,-y+1/2,y+3/4;0,0,0) (y+1/4,7/8,y+1/2;0,0,0) (-y+1/4,1/8,y;0,0,0) (-y,-y+3/4,3/8;0,0,0) (y,-y+1/4,1/8;0,0,0) 8c (x,x,x;0,0,0) (x+3/4,-x+3/4,x+1/4;0,0,0) (x+1/4,x+3/4,-x+3/4;0,0,0) (-x+3/4,x+1/4,x+3/4;0,0,0) (x+1/2,-x+1/2,-x;0,0,0) (-x,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x,x+1/2;0,0,0) (-x+1/4,-x+1/4,-x+1/4;0,0,0) 4b (5/8,5/8,5/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) 4a (1/8,1/8,1/8;0,0,0) (7/8,5/8,3/8;0,0,0) (3/8,7/8,5/8;0,0,0) (5/8,3/8,7/8;0,0,0) ---------- OG: 212.3.1563 P4_3'32' UNI: 212.61 P4_3'32' BNS: 212.61 P4_3'32' Operators: (1|0,0,0) (4x|3/4,3/4,1/4)' (4x-1|1/4,3/4,3/4)' (4y|1/4,3/4,3/4)' (4y-1|3/4,1/4,3/4)' (4z|3/4,1/4,3/4)' (4z-1|3/4,3/4,1/4)' (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|1/4,3/4,3/4)' (2-xy|1/4,1/4,1/4)' (2yz|3/4,1/4,3/4)' (2-yz|1/4,1/4,1/4)' (2xz|3/4,3/4,1/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;mx,my,mz) (x+3/4,-z+3/4,y+1/4;-mx,mz,-my) (x+1/4,z+3/4,-y+3/4;-mx,-mz,my) (z+1/4,y+3/4,-x+3/4;-mz,-my,mx) (-z+3/4,y+1/4,x+3/4;mz,-my,-mx) (-y+3/4,x+1/4,z+3/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+1/4,x+3/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+3/4,z+1/4,y+3/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+3/4,-y+3/4,x+1/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) 12d (1/8,y,-y+1/4;mx,my,my) (7/8,y+1/2,y+1/4;-mx,my,-my) (3/8,-y,-y+3/4;-mx,-my,my) (-y+1/2,y+3/4,5/8;-my,-my,mx) (y+1/2,y+1/4,7/8;my,-my,-mx) (-y+3/4,3/8,-y;my,-mx,-my) (y+3/4,5/8,-y+1/2;-my,mx,-my) (5/8,-y+1/2,y+3/4;mx,-my,-my) (y+1/4,7/8,y+1/2;-my,-mx,my) (-y+1/4,1/8,y;my,mx,my) (-y,-y+3/4,3/8;-my,my,-mx) (y,-y+1/4,1/8;my,my,mx) 8c (x,x,x;mx,mx,mx) (x+3/4,-x+3/4,x+1/4;-mx,mx,-mx) (x+1/4,x+3/4,-x+3/4;-mx,-mx,mx) (-x+3/4,x+1/4,x+3/4;mx,-mx,-mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) 4b (5/8,5/8,5/8;mx,mx,mx) (3/8,1/8,7/8;-mx,mx,-mx) (7/8,3/8,1/8;-mx,-mx,mx) (1/8,7/8,3/8;mx,-mx,-mx) 4a (1/8,1/8,1/8;mx,mx,mx) (7/8,5/8,3/8;-mx,mx,-mx) (3/8,7/8,5/8;-mx,-mx,mx) (5/8,3/8,7/8;mx,-mx,-mx) ---------- OG: 213.1.1564 P4_132 UNI: 213.63 P4_132.1 BNS: 213.63 P4_132 Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|3/4,1/4,1/4) (2-xy|3/4,3/4,3/4) (2yz|1/4,3/4,1/4) (2-yz|3/4,3/4,3/4) (2xz|1/4,1/4,3/4) (2-xz|3/4,3/4,3/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+3/4,-x+3/4,-z+3/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+3/4,-z+3/4,-y+3/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+3/4,-y+3/4,-x+3/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) 12d (1/8,y,y+1/4;0,my,my) (3/8,-y,y+3/4;0,-my,my) (7/8,y+1/2,-y+1/4;0,my,-my) (y,y+1/4,1/8;my,my,0) (-y,y+3/4,3/8;-my,my,0) (-y+1/4,7/8,y+1/2;-my,0,my) (y+1/4,1/8,y;my,0,my) (5/8,-y+1/2,-y+3/4;0,-my,-my) (y+3/4,3/8,-y;my,0,-my) (-y+3/4,5/8,-y+1/2;-my,0,-my) (y+1/2,-y+1/4,7/8;my,-my,0) (-y+1/2,-y+3/4,5/8;-my,-my,0) 8c (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+3/4,-x+3/4,-x+3/4;-mx,-mx,-mx) 4b (7/8,7/8,7/8;0,0,0) (1/8,3/8,5/8;0,0,0) (5/8,1/8,3/8;0,0,0) (3/8,5/8,1/8;0,0,0) 4a (3/8,3/8,3/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) ---------- OG: 213.2.1565 P4_1321' UNI: 213.64 P4_132.1' BNS: 213.64 P4_1321' Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|3/4,1/4,1/4) (2-xy|3/4,3/4,3/4) (2yz|1/4,3/4,1/4) (2-yz|3/4,3/4,3/4) (2xz|1/4,1/4,3/4) (2-xz|3/4,3/4,3/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|0,0,0)' (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|1/2,1/2,0)' (2y|0,1/2,1/2)' (2z|1/2,0,1/2)' (2xy|3/4,1/4,1/4)' (2-xy|3/4,3/4,3/4)' (2yz|1/4,3/4,1/4)' (2-yz|3/4,3/4,3/4)' (2xz|1/4,1/4,3/4)' (2-xz|3/4,3/4,3/4)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,1/2,1/2)' (3-xyz-1|1/2,0,1/2)' (3x-yz|1/2,0,1/2)' (3x-yz-1|1/2,1/2,0)' (3xy-z|1/2,1/2,0)' (3xy-z-1|0,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;0,0,0) (x+1/4,-z+1/4,y+3/4;0,0,0) (x+3/4,z+1/4,-y+1/4;0,0,0) (z+3/4,y+1/4,-x+1/4;0,0,0) (-z+1/4,y+3/4,x+1/4;0,0,0) (-y+1/4,x+3/4,z+1/4;0,0,0) (y+1/4,-x+1/4,z+3/4;0,0,0) (x+1/2,-y+1/2,-z;0,0,0) (-x,y+1/2,-z+1/2;0,0,0) (-x+1/2,-y,z+1/2;0,0,0) (y+3/4,x+1/4,-z+1/4;0,0,0) (-y+3/4,-x+3/4,-z+3/4;0,0,0) (-x+1/4,z+3/4,y+1/4;0,0,0) (-x+3/4,-z+3/4,-y+3/4;0,0,0) (z+1/4,-y+1/4,x+3/4;0,0,0) (-z+3/4,-y+3/4,-x+3/4;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z+1/2,-x+1/2;0,0,0) (-z+1/2,-x,y+1/2;0,0,0) (-y+1/2,-z,x+1/2;0,0,0) (z+1/2,-x+1/2,-y;0,0,0) (y+1/2,-z+1/2,-x;0,0,0) (-z,x+1/2,-y+1/2;0,0,0) 12d (1/8,y,y+1/4;0,0,0) (3/8,-y,y+3/4;0,0,0) (7/8,y+1/2,-y+1/4;0,0,0) (y,y+1/4,1/8;0,0,0) (-y,y+3/4,3/8;0,0,0) (-y+1/4,7/8,y+1/2;0,0,0) (y+1/4,1/8,y;0,0,0) (5/8,-y+1/2,-y+3/4;0,0,0) (y+3/4,3/8,-y;0,0,0) (-y+3/4,5/8,-y+1/2;0,0,0) (y+1/2,-y+1/4,7/8;0,0,0) (-y+1/2,-y+3/4,5/8;0,0,0) 8c (x,x,x;0,0,0) (x+1/4,-x+1/4,x+3/4;0,0,0) (x+3/4,x+1/4,-x+1/4;0,0,0) (-x+1/4,x+3/4,x+1/4;0,0,0) (x+1/2,-x+1/2,-x;0,0,0) (-x,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x,x+1/2;0,0,0) (-x+3/4,-x+3/4,-x+3/4;0,0,0) 4b (7/8,7/8,7/8;0,0,0) (1/8,3/8,5/8;0,0,0) (5/8,1/8,3/8;0,0,0) (3/8,5/8,1/8;0,0,0) 4a (3/8,3/8,3/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) ---------- OG: 213.3.1566 P4_1'32' UNI: 213.65 P4_1'32' BNS: 213.65 P4_1'32' Operators: (1|0,0,0) (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|3/4,1/4,1/4)' (2-xy|3/4,3/4,3/4)' (2yz|1/4,3/4,1/4)' (2-yz|3/4,3/4,3/4)' (2xz|1/4,1/4,3/4)' (2-xz|3/4,3/4,3/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24e (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+3/4,-x+3/4,-z+3/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+3/4,-z+3/4,-y+3/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+3/4,-y+3/4,-x+3/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) 12d (1/8,y,y+1/4;mx,my,-my) (3/8,-y,y+3/4;-mx,-my,-my) (7/8,y+1/2,-y+1/4;-mx,my,my) (y,y+1/4,1/8;my,-my,mx) (-y,y+3/4,3/8;-my,-my,-mx) (-y+1/4,7/8,y+1/2;my,-mx,my) (y+1/4,1/8,y;-my,mx,my) (5/8,-y+1/2,-y+3/4;mx,-my,my) (y+3/4,3/8,-y;-my,-mx,-my) (-y+3/4,5/8,-y+1/2;my,mx,-my) (y+1/2,-y+1/4,7/8;my,my,-mx) (-y+1/2,-y+3/4,5/8;-my,my,mx) 8c (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+3/4,-x+3/4,-x+3/4;mx,mx,mx) 4b (7/8,7/8,7/8;mx,mx,mx) (1/8,3/8,5/8;-mx,mx,-mx) (5/8,1/8,3/8;-mx,-mx,mx) (3/8,5/8,1/8;mx,-mx,-mx) 4a (3/8,3/8,3/8;mx,mx,mx) (5/8,7/8,1/8;-mx,mx,-mx) (1/8,5/8,7/8;-mx,-mx,mx) (7/8,1/8,5/8;mx,-mx,-mx) ---------- OG: 214.1.1567 I4_132 UNI: 214.67 I4_132.1 BNS: 214.67 I4_132 Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,3/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,3/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48i (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) 24h (1/8,y,-y+1/4;0,my,-my) (3/8,y,y+3/4;0,my,my) (7/8,-y+1/2,-y+1/4;0,-my,-my) (-y,y+1/4,1/8;-my,my,0) (y,y+3/4,3/8;my,my,0) (-y+1/4,7/8,-y+1/2;-my,0,-my) (y+1/4,1/8,-y;my,0,-my) (1/8,-y,y+1/4;0,-my,my) (y+3/4,3/8,y;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y+1/2,-y+1/4,7/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) 24g (1/8,y,y+1/4;0,my,my) (7/8,-y+1/2,y+1/4;0,-my,my) (3/8,y,-y+3/4;0,my,-my) (y,y+1/4,1/8;my,my,0) (-y+1/2,y+1/4,7/8;-my,my,0) (-y+3/4,3/8,y;-my,0,my) (y+1/4,1/8,y;my,0,my) (1/8,-y,-y+1/4;0,-my,-my) (y+1/4,7/8,-y+1/2;my,0,-my) (-y+1/4,1/8,-y;-my,0,-my) (y,-y+3/4,3/8;my,-my,0) (-y,-y+1/4,1/8;-my,-my,0) 24f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;mx,0,0) (0,1/4,-x+1/4;0,0,-mx) (0,3/4,x+1/4;0,0,mx) (1/4,x+3/4,1/2;0,mx,0) (1/4,-x+1/4,0;0,-mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) 16e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) 12d (5/8,0,1/4;0,0,0) (7/8,0,3/4;0,0,0) (0,1/4,5/8;0,0,0) (0,3/4,7/8;0,0,0) (1/4,3/8,1/2;0,0,0) (1/4,5/8,0;0,0,0) 12c (1/8,0,1/4;0,0,0) (3/8,0,3/4;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) (1/4,7/8,1/2;0,0,0) (1/4,1/8,0;0,0,0) 8b (7/8,7/8,7/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) ---------- OG: 214.2.1568 I4_1321' UNI: 214.68 I4_132.1' BNS: 214.68 I4_1321' Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,3/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,3/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (1|0,0,0)' (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,3/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,3/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48i (x,y,z;0,0,0) (x+1/4,-z+1/4,y+3/4;0,0,0) (x+3/4,z+1/4,-y+1/4;0,0,0) (z+3/4,y+1/4,-x+1/4;0,0,0) (-z+1/4,y+3/4,x+1/4;0,0,0) (-y+1/4,x+3/4,z+1/4;0,0,0) (y+1/4,-x+1/4,z+3/4;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (y+3/4,x+1/4,-z+1/4;0,0,0) (-y+1/4,-x+1/4,-z+1/4;0,0,0) (-x+1/4,z+3/4,y+1/4;0,0,0) (-x+1/4,-z+1/4,-y+1/4;0,0,0) (z+1/4,-y+1/4,x+3/4;0,0,0) (-z+1/4,-y+1/4,-x+1/4;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x;0,0,0) (-z,-x+1/2,y;0,0,0) (-y,-z+1/2,x;0,0,0) (z,-x,-y+1/2;0,0,0) (y,-z,-x+1/2;0,0,0) (-z+1/2,x,-y;0,0,0) 24h (1/8,y,-y+1/4;0,0,0) (3/8,y,y+3/4;0,0,0) (7/8,-y+1/2,-y+1/4;0,0,0) (-y,y+1/4,1/8;0,0,0) (y,y+3/4,3/8;0,0,0) (-y+1/4,7/8,-y+1/2;0,0,0) (y+1/4,1/8,-y;0,0,0) (1/8,-y,y+1/4;0,0,0) (y+3/4,3/8,y;0,0,0) (-y+1/4,1/8,y;0,0,0) (-y+1/2,-y+1/4,7/8;0,0,0) (y,-y+1/4,1/8;0,0,0) 24g (1/8,y,y+1/4;0,0,0) (7/8,-y+1/2,y+1/4;0,0,0) (3/8,y,-y+3/4;0,0,0) (y,y+1/4,1/8;0,0,0) (-y+1/2,y+1/4,7/8;0,0,0) (-y+3/4,3/8,y;0,0,0) (y+1/4,1/8,y;0,0,0) (1/8,-y,-y+1/4;0,0,0) (y+1/4,7/8,-y+1/2;0,0,0) (-y+1/4,1/8,-y;0,0,0) (y,-y+3/4,3/8;0,0,0) (-y,-y+1/4,1/8;0,0,0) 24f (x,0,1/4;0,0,0) (x+1/4,0,3/4;0,0,0) (0,1/4,-x+1/4;0,0,0) (0,3/4,x+1/4;0,0,0) (1/4,x+3/4,1/2;0,0,0) (1/4,-x+1/4,0;0,0,0) (-x+1/2,0,3/4;0,0,0) (-x+1/4,0,1/4;0,0,0) (1/4,x,0;0,0,0) (0,1/4,x;0,0,0) (0,3/4,-x+1/2;0,0,0) (1/4,-x,1/2;0,0,0) 16e (x,x,x;0,0,0) (x+1/4,-x+1/4,x+3/4;0,0,0) (x+3/4,x+1/4,-x+1/4;0,0,0) (-x+1/4,x+3/4,x+1/4;0,0,0) (x,-x,-x+1/2;0,0,0) (-x+1/2,x,-x;0,0,0) (-x,-x+1/2,x;0,0,0) (-x+1/4,-x+1/4,-x+1/4;0,0,0) 12d (5/8,0,1/4;0,0,0) (7/8,0,3/4;0,0,0) (0,1/4,5/8;0,0,0) (0,3/4,7/8;0,0,0) (1/4,3/8,1/2;0,0,0) (1/4,5/8,0;0,0,0) 12c (1/8,0,1/4;0,0,0) (3/8,0,3/4;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) (1/4,7/8,1/2;0,0,0) (1/4,1/8,0;0,0,0) 8b (7/8,7/8,7/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) ---------- OG: 214.3.1569 I4_1'32' UNI: 214.69 I4_1'32' BNS: 214.69 I4_1'32' Operators: (1|0,0,0) (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,3/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,3/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48i (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) 24h (1/8,y,-y+1/4;mx,my,my) (3/8,y,y+3/4;-mx,my,-my) (7/8,-y+1/2,-y+1/4;-mx,-my,my) (-y,y+1/4,1/8;-my,-my,mx) (y,y+3/4,3/8;my,-my,-mx) (-y+1/4,7/8,-y+1/2;my,-mx,-my) (y+1/4,1/8,-y;-my,mx,-my) (1/8,-y,y+1/4;mx,-my,-my) (y+3/4,3/8,y;-my,-mx,my) (-y+1/4,1/8,y;my,mx,my) (-y+1/2,-y+1/4,7/8;-my,my,-mx) (y,-y+1/4,1/8;my,my,mx) 24g (1/8,y,y+1/4;mx,my,-my) (7/8,-y+1/2,y+1/4;-mx,-my,-my) (3/8,y,-y+3/4;-mx,my,my) (y,y+1/4,1/8;my,-my,mx) (-y+1/2,y+1/4,7/8;-my,-my,-mx) (-y+3/4,3/8,y;my,-mx,my) (y+1/4,1/8,y;-my,mx,my) (1/8,-y,-y+1/4;mx,-my,my) (y+1/4,7/8,-y+1/2;-my,-mx,-my) (-y+1/4,1/8,-y;my,mx,-my) (y,-y+3/4,3/8;my,my,-mx) (-y,-y+1/4,1/8;-my,my,mx) 24f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;-mx,0,0) (0,1/4,-x+1/4;0,0,mx) (0,3/4,x+1/4;0,0,-mx) (1/4,x+3/4,1/2;0,-mx,0) (1/4,-x+1/4,0;0,mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) 16e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) 12d (5/8,0,1/4;mx,0,0) (7/8,0,3/4;-mx,0,0) (0,1/4,5/8;0,0,mx) (0,3/4,7/8;0,0,-mx) (1/4,3/8,1/2;0,-mx,0) (1/4,5/8,0;0,mx,0) 12c (1/8,0,1/4;mx,0,0) (3/8,0,3/4;-mx,0,0) (0,1/4,1/8;0,0,mx) (0,3/4,3/8;0,0,-mx) (1/4,7/8,1/2;0,-mx,0) (1/4,1/8,0;0,mx,0) 8b (7/8,7/8,7/8;mx,mx,mx) (5/8,7/8,1/8;-mx,mx,-mx) (1/8,5/8,7/8;-mx,-mx,mx) (7/8,1/8,5/8;mx,-mx,-mx) 8a (1/8,1/8,1/8;mx,mx,mx) (3/8,1/8,7/8;-mx,mx,-mx) (7/8,3/8,1/8;-mx,-mx,mx) (1/8,7/8,3/8;mx,-mx,-mx) ---------- OG: 214.4.1570 I_P4_132 UNI: 212.62 P4_332.1'_I[I4_132] BNS: 212.62 P_I4_332 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|3/4,3/4,5/4) (4x-1|5/4,3/4,3/4) (4y|5/4,3/4,3/4) (4y-1|3/4,5/4,3/4) (4z|3/4,5/4,3/4) (4z-1|3/4,3/4,5/4) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (2xy|5/4,3/4,3/4) (2-xy|1/4,1/4,1/4) (2yz|3/4,5/4,3/4) (2-yz|1/4,1/4,1/4) (2xz|3/4,3/4,5/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1,1/2,1/2) (3-xyz-1|1/2,1,1/2) (3x-yz|1/2,1,1/2) (3x-yz-1|1/2,1/2,1) (3xy-z|1/2,1/2,1) (3xy-z-1|1,1/2,1/2) (1|1/2,1/2,1/2)' (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,1/4)' (2-xy|3/4,3/4,3/4)' (2yz|1/4,3/4,1/4)' (2-yz|3/4,3/4,3/4)' (2xz|1/4,1/4,3/4)' (2-xz|3/4,3/4,3/4)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x+3/4,-z+3/4,y+5/4;mx,-mz,my) (x+5/4,z+3/4,-y+3/4;mx,mz,-my) (z+5/4,y+3/4,-x+3/4;mz,my,-mx) (-z+3/4,y+5/4,x+3/4;-mz,my,mx) (-y+3/4,x+5/4,z+3/4;-my,mx,mz) (y+3/4,-x+3/4,z+5/4;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (y+5/4,x+3/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+3/4,z+5/4,y+3/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+3/4,-y+3/4,x+5/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1,y+1/2;-mz,-mx,my) (-y+1/2,-z+1,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y+1;mz,-mx,-my) (y+1/2,-z+1/2,-x+1;my,-mz,-mx) (-z+1,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+3/4,-x+3/4,-z+3/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+3/4,-z+3/4,-y+3/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+3/4,-y+3/4,-x+3/4;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 24h (1/8,y,-y+1/4;0,my,-my) (7/8,y+1/2,y+1/4;0,my,my) (3/8,-y+1,-y+3/4;0,-my,-my) (-y+1/2,y+3/4,5/8;-my,my,0) (y+1/2,y+1/4,7/8;my,my,0) (-y+3/4,3/8,-y+1;-my,0,-my) (y+3/4,5/8,-y+1/2;my,0,-my) (5/8,-y+1/2,y+3/4;0,-my,my) (y+1/4,7/8,y+1/2;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y+1,-y+3/4,3/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) (5/8,y+1/2,-y+3/4;0,-my,my) (3/8,y,y-1/4;0,-my,-my) (-1/8,-y+1/2,-y+1/4;0,my,my) (-y,y+1/4,1/8;my,-my,0) (y,y-1/4,3/8;-my,-my,0) (-y+1/4,-1/8,-y+1/2;my,0,my) (y+1/4,1/8,-y;-my,0,my) (1/8,-y,y+1/4;0,my,-my) (y-1/4,3/8,y;-my,0,-my) (-y+3/4,5/8,y+1/2;my,0,-my) (-y+1/2,-y+1/4,-1/8;my,my,0) (y+1/2,-y+3/4,5/8;-my,my,0) 24g (1/8,y,y+1/4;mx,my,-my) (7/8,-y+1/2,y+5/4;mx,my,my) (11/8,y+1,-y+3/4;mx,-my,-my) (y+3/2,y+3/4,5/8;-my,my,-mx) (-y+1/2,y+5/4,7/8;my,my,mx) (-y+3/4,11/8,y+1;-my,mx,-my) (y+3/4,5/8,y+3/2;my,-mx,-my) (5/8,-y+1/2,-y+3/4;mx,-my,my) (7/8,y+1/2,-y+1/4;-mx,my,my) (3/8,-y+1,y+3/4;-mx,-my,-my) (y+5/4,7/8,-y+1/2;my,mx,my) (-y+1/4,1/8,-y;-my,-mx,my) (5/8,y+3/2,y+3/4;-mx,-my,my) (1/8,-y,-y+1/4;-mx,my,-my) (y+1,-y+3/4,11/8;-my,-my,mx) (-y,-y+1/4,1/8;my,-my,-mx) (y+1/4,1/8,y;-my,mx,my) (y,y+1/4,1/8;my,-my,mx) (-y+1,y+3/4,3/8;-my,-my,-mx) (-y+1/4,7/8,y+1/2;my,-mx,my) (-y+1/2,-y+3/4,5/8;-my,my,mx) (y+3/4,3/8,-y+1;-my,-mx,-my) (y+1/2,-y+1/4,7/8;my,my,-mx) (-y+3/4,5/8,-y+1/2;my,mx,-my) 24f (x,0,1/4;0,my,mz) (x+3/4,1/2,5/4;0,-mz,my) (x+5/4,1,3/4;0,mz,-my) (3/2,3/4,-x+3/4;mz,my,0) (1/2,5/4,x+3/4;-mz,my,0) (3/4,x+5/4,1;-my,0,mz) (3/4,-x+3/4,3/2;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) (5/4,x+3/4,1/2;my,0,-mz) (1/4,-x+1/4,0;-my,0,-mz) (-x+3/4,3/2,3/4;0,mz,my) (-x+1/4,0,1/4;0,-mz,-my) (1,3/4,x+5/4;mz,-my,0) (0,1/4,-x+1/4;-mz,-my,0) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (1,3/4,-x+1/2;-my,mz,0) (1/4,-x+1,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,1;mz,0,-my) (1/2,1/4,-x+1;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 16e (x,x,x;mx,mx,mx) (x+3/4,-x+3/4,x+5/4;mx,-mx,mx) (x+5/4,x+3/4,-x+3/4;mx,mx,-mx) (-x+3/4,x+5/4,x+3/4;-mx,mx,mx) (x+1/2,-x+1/2,-x+1;mx,-mx,-mx) (-x+1,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1,x+1/2;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) (-x+3/4,-x+3/4,-x+3/4;mx,mx,mx) 12d (5/8,0,1/4;0,my,-my) (3/8,1/2,1/4;0,my,my) (-1/8,1,3/4;0,-my,-my) (1/2,3/4,9/8;-my,my,0) (1/2,1/4,3/8;my,my,0) (3/4,-1/8,1;-my,0,-my) (3/4,9/8,1/2;my,0,-my) (9/8,1/2,3/4;0,-my,my) (1/4,3/8,1/2;my,0,my) (1/4,5/8,0;-my,0,my) (1,3/4,-1/8;-my,-my,0) (0,1/4,5/8;my,-my,0) 12c (1/8,0,1/4;0,my,-my) (7/8,1/2,1/4;0,my,my) (3/8,1,3/4;0,-my,-my) (1/2,3/4,5/8;-my,my,0) (1/2,1/4,7/8;my,my,0) (3/4,3/8,1;-my,0,-my) (3/4,5/8,1/2;my,0,-my) (5/8,1/2,3/4;0,-my,my) (1/4,7/8,1/2;my,0,my) (1/4,1/8,0;-my,0,my) (1,3/4,3/8;-my,-my,0) (0,1/4,1/8;my,-my,0) 8b (7/8,7/8,7/8;mx,mx,mx) (13/8,-1/8,17/8;mx,-mx,mx) (17/8,13/8,-1/8;mx,mx,-mx) (-1/8,17/8,13/8;-mx,mx,mx) (11/8,-3/8,1/8;mx,-mx,-mx) (1/8,11/8,-3/8;-mx,mx,-mx) (-3/8,1/8,11/8;-mx,-mx,mx) (-5/8,-5/8,-5/8;-mx,-mx,-mx) 8a (1/8,1/8,1/8;0,0,0) (7/8,5/8,3/8;0,0,0) (3/8,7/8,5/8;0,0,0) (5/8,3/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) (3/8,1/8,-1/8;0,0,0) (-1/8,3/8,1/8;0,0,0) (1/8,-1/8,3/8;0,0,0) Operators (BNS): (1|0,0,0) (4x|3/4,3/4,1/4) (4x-1|1/4,3/4,3/4) (4y|1/4,3/4,3/4) (4y-1|3/4,1/4,3/4) (4z|3/4,1/4,3/4) (4z-1|3/4,3/4,1/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|1/4,3/4,3/4) (2-xy|1/4,1/4,1/4) (2yz|3/4,1/4,3/4) (2-yz|1/4,1/4,1/4) (2xz|3/4,3/4,1/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|1/2,1/2,1/2)' (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,1/4)' (2-xy|3/4,3/4,3/4)' (2yz|1/4,3/4,1/4)' (2-yz|3/4,3/4,3/4)' (2xz|1/4,1/4,3/4)' (2-xz|3/4,3/4,3/4)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (BNS): 48i (x,y,z;mx,my,mz) (x+3/4,-z+3/4,y+1/4;mx,-mz,my) (x+1/4,z+3/4,-y+3/4;mx,mz,-my) (z+1/4,y+3/4,-x+3/4;mz,my,-mx) (-z+3/4,y+1/4,x+3/4;-mz,my,mx) (-y+3/4,x+1/4,z+3/4;-my,mx,mz) (y+3/4,-x+3/4,z+1/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+1/4,x+3/4,-z+3/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+3/4,z+1/4,y+3/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+3/4,-y+3/4,x+1/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+3/4,-x+3/4,-z+3/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+3/4,-z+3/4,-y+3/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+3/4,-y+3/4,-x+3/4;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 24h (1/8,y,-y+1/4;0,my,-my) (7/8,y+1/2,y+1/4;0,my,my) (3/8,-y,-y+3/4;0,-my,-my) (-y+1/2,y+3/4,5/8;-my,my,0) (y+1/2,y+1/4,7/8;my,my,0) (-y+3/4,3/8,-y;-my,0,-my) (y+3/4,5/8,-y+1/2;my,0,-my) (5/8,-y+1/2,y+3/4;0,-my,my) (y+1/4,7/8,y+1/2;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y,-y+3/4,3/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) (5/8,y+1/2,-y+3/4;0,-my,my) (3/8,y,y+3/4;0,-my,-my) (7/8,-y+1/2,-y+1/4;0,my,my) (-y,y+1/4,1/8;my,-my,0) (y,y+3/4,3/8;-my,-my,0) (-y+1/4,7/8,-y+1/2;my,0,my) (y+1/4,1/8,-y;-my,0,my) (1/8,-y,y+1/4;0,my,-my) (y+3/4,3/8,y;-my,0,-my) (-y+3/4,5/8,y+1/2;my,0,-my) (-y+1/2,-y+1/4,7/8;my,my,0) (y+1/2,-y+3/4,5/8;-my,my,0) 24g (1/8,y,y+1/4;mx,my,-my) (7/8,-y+1/2,y+1/4;mx,my,my) (3/8,y,-y+3/4;mx,-my,-my) (y+1/2,y+3/4,5/8;-my,my,-mx) (-y+1/2,y+1/4,7/8;my,my,mx) (-y+3/4,3/8,y;-my,mx,-my) (y+3/4,5/8,y+1/2;my,-mx,-my) (5/8,-y+1/2,-y+3/4;mx,-my,my) (7/8,y+1/2,-y+1/4;-mx,my,my) (3/8,-y,y+3/4;-mx,-my,-my) (y+1/4,7/8,-y+1/2;my,mx,my) (-y+1/4,1/8,-y;-my,-mx,my) (5/8,y+1/2,y+3/4;-mx,-my,my) (1/8,-y,-y+1/4;-mx,my,-my) (y,-y+3/4,3/8;-my,-my,mx) (-y,-y+1/4,1/8;my,-my,-mx) (y+1/4,1/8,y;-my,mx,my) (y,y+1/4,1/8;my,-my,mx) (-y,y+3/4,3/8;-my,-my,-mx) (-y+1/4,7/8,y+1/2;my,-mx,my) (-y+1/2,-y+3/4,5/8;-my,my,mx) (y+3/4,3/8,-y;-my,-mx,-my) (y+1/2,-y+1/4,7/8;my,my,-mx) (-y+3/4,5/8,-y+1/2;my,mx,-my) 24f (x,0,1/4;0,my,mz) (x+3/4,1/2,1/4;0,-mz,my) (x+1/4,0,3/4;0,mz,-my) (1/2,3/4,-x+3/4;mz,my,0) (1/2,1/4,x+3/4;-mz,my,0) (3/4,x+1/4,0;-my,0,mz) (3/4,-x+3/4,1/2;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (1/4,x+3/4,1/2;my,0,-mz) (1/4,-x+1/4,0;-my,0,-mz) (-x+3/4,1/2,3/4;0,mz,my) (-x+1/4,0,1/4;0,-mz,-my) (0,3/4,x+1/4;mz,-my,0) (0,1/4,-x+1/4;-mz,-my,0) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (0,3/4,-x+1/2;-my,mz,0) (1/4,-x,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,0;mz,0,-my) (1/2,1/4,-x;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 16e (x,x,x;mx,mx,mx) (x+3/4,-x+3/4,x+1/4;mx,-mx,mx) (x+1/4,x+3/4,-x+3/4;mx,mx,-mx) (-x+3/4,x+1/4,x+3/4;-mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) (-x+3/4,-x+3/4,-x+3/4;mx,mx,mx) 12d (5/8,0,1/4;0,my,-my) (3/8,1/2,1/4;0,my,my) (7/8,0,3/4;0,-my,-my) (1/2,3/4,1/8;-my,my,0) (1/2,1/4,3/8;my,my,0) (3/4,7/8,0;-my,0,-my) (3/4,1/8,1/2;my,0,-my) (1/8,1/2,3/4;0,-my,my) (1/4,3/8,1/2;my,0,my) (1/4,5/8,0;-my,0,my) (0,3/4,7/8;-my,-my,0) (0,1/4,5/8;my,-my,0) 12c (1/8,0,1/4;0,my,-my) (7/8,1/2,1/4;0,my,my) (3/8,0,3/4;0,-my,-my) (1/2,3/4,5/8;-my,my,0) (1/2,1/4,7/8;my,my,0) (3/4,3/8,0;-my,0,-my) (3/4,5/8,1/2;my,0,-my) (5/8,1/2,3/4;0,-my,my) (1/4,7/8,1/2;my,0,my) (1/4,1/8,0;-my,0,my) (0,3/4,3/8;-my,-my,0) (0,1/4,1/8;my,-my,0) 8b (7/8,7/8,7/8;mx,mx,mx) (5/8,7/8,1/8;mx,-mx,mx) (1/8,5/8,7/8;mx,mx,-mx) (7/8,1/8,5/8;-mx,mx,mx) (3/8,5/8,1/8;mx,-mx,-mx) (1/8,3/8,5/8;-mx,mx,-mx) (5/8,1/8,3/8;-mx,-mx,mx) (3/8,3/8,3/8;-mx,-mx,-mx) 8a (1/8,1/8,1/8;0,0,0) (7/8,5/8,3/8;0,0,0) (3/8,7/8,5/8;0,0,0) (5/8,3/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) ---------- OG: 214.5.1571 I_P4_1'32' UNI: 213.66 P4_132.1'_I[I4_132] BNS: 213.66 P_I4_132 OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|1/2,1/2,1) (2y|1,1/2,1/2) (2z|1/2,1,1/2) (2xy|3/4,1/4,1/4) (2-xy|3/4,3/4,3/4) (2yz|1/4,3/4,1/4) (2-yz|3/4,3/4,3/4) (2xz|1/4,1/4,3/4) (2-xz|3/4,3/4,3/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1,1/2,1/2) (3-xyz-1|1/2,1,1/2) (3x-yz|1/2,1,1/2) (3x-yz-1|1/2,1/2,1) (3xy-z|1/2,1/2,1) (3xy-z-1|1,1/2,1/2) (1|1/2,1/2,1/2)' (4x|3/4,3/4,5/4)' (4x-1|5/4,3/4,3/4)' (4y|5/4,3/4,3/4)' (4y-1|3/4,5/4,3/4)' (4z|3/4,5/4,3/4)' (4z-1|3/4,3/4,5/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|5/4,3/4,3/4)' (2-xy|1/4,1/4,1/4)' (2yz|3/4,5/4,3/4)' (2-yz|1/4,1/4,1/4)' (2xz|3/4,3/4,5/4)' (2-xz|1/4,1/4,1/4)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z+1;mx,-my,-mz) (-x+1,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1,z+1/2;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+3/4,-x+3/4,-z+3/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+3/4,-z+3/4,-y+3/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+3/4,-y+3/4,-x+3/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1,y+1/2;-mz,-mx,my) (-y+1/2,-z+1,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y+1;mz,-mx,-my) (y+1/2,-z+1/2,-x+1;my,-mz,-mx) (-z+1,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+3/4,-z+3/4,y+5/4;-mx,mz,-my) (x+5/4,z+3/4,-y+3/4;-mx,-mz,my) (z+5/4,y+3/4,-x+3/4;-mz,-my,mx) (-z+3/4,y+5/4,x+3/4;mz,-my,-mx) (-y+3/4,x+5/4,z+3/4;my,-mx,-mz) (y+3/4,-x+3/4,z+5/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (y+5/4,x+3/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+3/4,z+5/4,y+3/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+3/4,-y+3/4,x+5/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 24h (1/8,y,-y+1/4;mx,my,my) (3/8,y,y+3/4;mx,-my,my) (7/8,-y+1/2,-y+1/4;mx,my,-my) (-y+1,y+1/4,1/8;my,my,-mx) (y,y+3/4,3/8;-my,my,mx) (-y+1/4,7/8,-y+1/2;-my,mx,my) (y+1/4,1/8,-y+1;my,-mx,my) (5/8,-y+1/2,y+3/4;mx,-my,-my) (7/8,y+1/2,y+1/4;-mx,my,-my) (3/8,-y+1,-y+3/4;-mx,-my,my) (y+3/4,3/8,y;my,mx,-my) (-y+3/4,5/8,y+1/2;-my,-mx,-my) (1/8,-y+1,y+1/4;-mx,my,my) (5/8,y+1/2,-y+3/4;-mx,-my,-my) (-y+1/2,-y+1/4,7/8;my,-my,mx) (y+1/2,-y+3/4,5/8;-my,-my,-mx) (-y+1/4,1/8,y;my,mx,my) (y,-y+1/4,1/8;my,my,mx) (-y+1,-y+3/4,3/8;-my,my,-mx) (y+1/4,7/8,y+1/2;-my,-mx,my) (-y+1/2,y+3/4,5/8;-my,-my,mx) (-y+3/4,3/8,-y+1;my,-mx,-my) (y+1/2,y+1/4,7/8;my,-my,-mx) (y+3/4,5/8,-y+1/2;-my,mx,-my) 24g (1/8,y,y+1/4;0,my,my) (3/8,-y+1,y+3/4;0,-my,my) (7/8,y+1/2,-y+1/4;0,my,-my) (y,y+1/4,1/8;my,my,0) (-y+1,y+3/4,3/8;-my,my,0) (-y+1/4,7/8,y+1/2;-my,0,my) (y+1/4,1/8,y;my,0,my) (5/8,-y+1/2,-y+3/4;0,-my,-my) (y+3/4,3/8,-y+1;my,0,-my) (-y+3/4,5/8,-y+1/2;-my,0,-my) (y+1/2,-y+1/4,7/8;my,-my,0) (-y+1/2,-y+3/4,5/8;-my,-my,0) (5/8,y+1/2,y+3/4;0,-my,-my) (-1/8,-y+1/2,y+1/4;0,my,-my) (3/8,y,-y-1/4;0,-my,my) (y+1/2,y+3/4,5/8;-my,-my,0) (-y+1/2,y+1/4,-1/8;my,-my,0) (-y-1/4,3/8,y;my,0,-my) (y+3/4,5/8,y+1/2;-my,0,-my) (1/8,-y,-y+1/4;0,my,my) (y+1/4,-1/8,-y+1/2;-my,0,my) (-y+1/4,1/8,-y;my,0,my) (y,-y-1/4,3/8;-my,my,0) (-y,-y+1/4,1/8;my,my,0) 24f (x,0,1/4;0,my,mz) (x+1/4,0,3/4;0,-mz,my) (x+3/4,1/2,1/4;0,mz,-my) (1,1/4,-x+1/4;mz,my,0) (0,3/4,x+1/4;-mz,my,0) (1/4,x+3/4,1/2;-my,0,mz) (1/4,-x+1/4,1;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x+1,1/2,1/4;0,my,-mz) (-x+1/2,1,3/4;0,-my,mz) (3/4,x+1/4,0;my,0,-mz) (3/4,-x+3/4,1/2;-my,0,-mz) (-x+1/4,1,1/4;0,mz,my) (-x+3/4,1/2,3/4;0,-mz,-my) (1/2,1/4,x+3/4;mz,-my,0) (1/2,3/4,-x+3/4;-mz,-my,0) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (1,3/4,-x+1/2;-my,mz,0) (1/4,-x+1,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,1;mz,0,-my) (1/2,1/4,-x+1;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 16e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x+1/2,-x+1/2,-x+1;mx,-mx,-mx) (-x+1,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1,x+1/2;-mx,-mx,mx) (-x+3/4,-x+3/4,-x+3/4;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+3/4,-x+3/4,x+5/4;-mx,mx,-mx) (x+5/4,x+3/4,-x+3/4;-mx,-mx,mx) (-x+3/4,x+5/4,x+3/4;mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) 12d (5/8,0,1/4;0,my,my) (-1/8,1,3/4;0,-my,my) (3/8,1/2,1/4;0,my,-my) (0,1/4,5/8;my,my,0) (1,3/4,-1/8;-my,my,0) (1/4,3/8,1/2;-my,0,my) (1/4,5/8,0;my,0,my) (9/8,1/2,3/4;0,-my,-my) (3/4,-1/8,1;my,0,-my) (3/4,9/8,1/2;-my,0,-my) (1/2,1/4,3/8;my,-my,0) (1/2,3/4,9/8;-my,-my,0) 12c (1/8,0,1/4;0,my,my) (3/8,1,3/4;0,-my,my) (7/8,1/2,1/4;0,my,-my) (0,1/4,1/8;my,my,0) (1,3/4,3/8;-my,my,0) (1/4,7/8,1/2;-my,0,my) (1/4,1/8,0;my,0,my) (5/8,1/2,3/4;0,-my,-my) (3/4,3/8,1;my,0,-my) (3/4,5/8,1/2;-my,0,-my) (1/2,1/4,7/8;my,-my,0) (1/2,3/4,5/8;-my,-my,0) 8b (7/8,7/8,7/8;0,0,0) (1/8,11/8,-3/8;0,0,0) (-3/8,1/8,11/8;0,0,0) (11/8,-3/8,1/8;0,0,0) (11/8,11/8,11/8;0,0,0) (-3/8,7/8,-7/8;0,0,0) (-7/8,-3/8,7/8;0,0,0) (7/8,-7/8,-3/8;0,0,0) 8a (1/8,1/8,1/8;mx,mx,mx) (3/8,1/8,7/8;mx,-mx,mx) (7/8,3/8,1/8;mx,mx,-mx) (1/8,7/8,3/8;-mx,mx,mx) (5/8,3/8,7/8;mx,-mx,-mx) (7/8,5/8,3/8;-mx,mx,-mx) (3/8,7/8,5/8;-mx,-mx,mx) (5/8,5/8,5/8;-mx,-mx,-mx) Operators (BNS): (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|1/2,1/2,0) (2y|0,1/2,1/2) (2z|1/2,0,1/2) (2xy|3/4,1/4,1/4) (2-xy|3/4,3/4,3/4) (2yz|1/4,3/4,1/4) (2-yz|3/4,3/4,3/4) (2xz|1/4,1/4,3/4) (2-xz|3/4,3/4,3/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,1/2,1/2) (3-xyz-1|1/2,0,1/2) (3x-yz|1/2,0,1/2) (3x-yz-1|1/2,1/2,0) (3xy-z|1/2,1/2,0) (3xy-z-1|0,1/2,1/2) (1|1/2,1/2,1/2)' (4x|3/4,3/4,1/4)' (4x-1|1/4,3/4,3/4)' (4y|1/4,3/4,3/4)' (4y-1|3/4,1/4,3/4)' (4z|3/4,1/4,3/4)' (4z-1|3/4,3/4,1/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|1/4,3/4,3/4)' (2-xy|1/4,1/4,1/4)' (2yz|3/4,1/4,3/4)' (2-yz|1/4,1/4,1/4)' (2xz|3/4,3/4,1/4)' (2-xz|1/4,1/4,1/4)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' Wyckoff positions (BNS): 48i (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x+1/2,-y+1/2,-z;mx,-my,-mz) (-x,y+1/2,-z+1/2;-mx,my,-mz) (-x+1/2,-y,z+1/2;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+3/4,-x+3/4,-z+3/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+3/4,-z+3/4,-y+3/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+3/4,-y+3/4,-x+3/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z+1/2,-x+1/2;-my,mz,-mx) (-z+1/2,-x,y+1/2;-mz,-mx,my) (-y+1/2,-z,x+1/2;-my,-mz,mx) (z+1/2,-x+1/2,-y;mz,-mx,-my) (y+1/2,-z+1/2,-x;my,-mz,-mx) (-z,x+1/2,-y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+3/4,-z+3/4,y+1/4;-mx,mz,-my) (x+1/4,z+3/4,-y+3/4;-mx,-mz,my) (z+1/4,y+3/4,-x+3/4;-mz,-my,mx) (-z+3/4,y+1/4,x+3/4;mz,-my,-mx) (-y+3/4,x+1/4,z+3/4;my,-mx,-mz) (y+3/4,-x+3/4,z+1/4;-my,mx,-mz) (x,-y,-z+1/2;-mx,my,mz) (-x+1/2,y,-z;mx,-my,mz) (-x,-y+1/2,z;mx,my,-mz) (y+1/4,x+3/4,-z+3/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+3/4,z+1/4,y+3/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+3/4,-y+3/4,x+1/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z,-x;my,-mz,mx) (-z,-x+1/2,y;mz,mx,-my) (-y,-z+1/2,x;my,mz,-mx) (z,-x,-y+1/2;-mz,mx,my) (y,-z,-x+1/2;-my,mz,mx) (-z+1/2,x,-y;mz,-mx,my) 24h (1/8,y,-y+1/4;mx,my,my) (3/8,y,y+3/4;mx,-my,my) (7/8,-y+1/2,-y+1/4;mx,my,-my) (-y,y+1/4,1/8;my,my,-mx) (y,y+3/4,3/8;-my,my,mx) (-y+1/4,7/8,-y+1/2;-my,mx,my) (y+1/4,1/8,-y;my,-mx,my) (5/8,-y+1/2,y+3/4;mx,-my,-my) (7/8,y+1/2,y+1/4;-mx,my,-my) (3/8,-y,-y+3/4;-mx,-my,my) (y+3/4,3/8,y;my,mx,-my) (-y+3/4,5/8,y+1/2;-my,-mx,-my) (1/8,-y,y+1/4;-mx,my,my) (5/8,y+1/2,-y+3/4;-mx,-my,-my) (-y+1/2,-y+1/4,7/8;my,-my,mx) (y+1/2,-y+3/4,5/8;-my,-my,-mx) (-y+1/4,1/8,y;my,mx,my) (y,-y+1/4,1/8;my,my,mx) (-y,-y+3/4,3/8;-my,my,-mx) (y+1/4,7/8,y+1/2;-my,-mx,my) (-y+1/2,y+3/4,5/8;-my,-my,mx) (-y+3/4,3/8,-y;my,-mx,-my) (y+1/2,y+1/4,7/8;my,-my,-mx) (y+3/4,5/8,-y+1/2;-my,mx,-my) 24g (1/8,y,y+1/4;0,my,my) (3/8,-y,y+3/4;0,-my,my) (7/8,y+1/2,-y+1/4;0,my,-my) (y,y+1/4,1/8;my,my,0) (-y,y+3/4,3/8;-my,my,0) (-y+1/4,7/8,y+1/2;-my,0,my) (y+1/4,1/8,y;my,0,my) (5/8,-y+1/2,-y+3/4;0,-my,-my) (y+3/4,3/8,-y;my,0,-my) (-y+3/4,5/8,-y+1/2;-my,0,-my) (y+1/2,-y+1/4,7/8;my,-my,0) (-y+1/2,-y+3/4,5/8;-my,-my,0) (5/8,y+1/2,y+3/4;0,-my,-my) (7/8,-y+1/2,y+1/4;0,my,-my) (3/8,y,-y+3/4;0,-my,my) (y+1/2,y+3/4,5/8;-my,-my,0) (-y+1/2,y+1/4,7/8;my,-my,0) (-y+3/4,3/8,y;my,0,-my) (y+3/4,5/8,y+1/2;-my,0,-my) (1/8,-y,-y+1/4;0,my,my) (y+1/4,7/8,-y+1/2;-my,0,my) (-y+1/4,1/8,-y;my,0,my) (y,-y+3/4,3/8;-my,my,0) (-y,-y+1/4,1/8;my,my,0) 24f (x,0,1/4;0,my,mz) (x+1/4,0,3/4;0,-mz,my) (x+3/4,1/2,1/4;0,mz,-my) (0,1/4,-x+1/4;mz,my,0) (0,3/4,x+1/4;-mz,my,0) (1/4,x+3/4,1/2;-my,0,mz) (1/4,-x+1/4,0;my,0,mz) (x+1/2,1/2,3/4;0,-my,-mz) (-x,1/2,1/4;0,my,-mz) (-x+1/2,0,3/4;0,-my,mz) (3/4,x+1/4,0;my,0,-mz) (3/4,-x+3/4,1/2;-my,0,-mz) (-x+1/4,0,1/4;0,mz,my) (-x+3/4,1/2,3/4;0,-mz,-my) (1/2,1/4,x+3/4;mz,-my,0) (1/2,3/4,-x+3/4;-mz,-my,0) (1/4,x,0;mz,0,my) (0,1/4,x;my,mz,0) (0,3/4,-x+1/2;-my,mz,0) (1/4,-x,1/2;-mz,0,my) (1/2,3/4,x+1/2;-my,-mz,0) (3/4,-x+1/2,0;mz,0,-my) (1/2,1/4,-x;my,-mz,0) (3/4,x+1/2,1/2;-mz,0,-my) 16e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x+1/2,-x+1/2,-x;mx,-mx,-mx) (-x,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x,x+1/2;-mx,-mx,mx) (-x+3/4,-x+3/4,-x+3/4;-mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) (x+3/4,-x+3/4,x+1/4;-mx,mx,-mx) (x+1/4,x+3/4,-x+3/4;-mx,-mx,mx) (-x+3/4,x+1/4,x+3/4;mx,-mx,-mx) (x,-x,-x+1/2;-mx,mx,mx) (-x+1/2,x,-x;mx,-mx,mx) (-x,-x+1/2,x;mx,mx,-mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) 12d (5/8,0,1/4;0,my,my) (7/8,0,3/4;0,-my,my) (3/8,1/2,1/4;0,my,-my) (0,1/4,5/8;my,my,0) (0,3/4,7/8;-my,my,0) (1/4,3/8,1/2;-my,0,my) (1/4,5/8,0;my,0,my) (1/8,1/2,3/4;0,-my,-my) (3/4,7/8,0;my,0,-my) (3/4,1/8,1/2;-my,0,-my) (1/2,1/4,3/8;my,-my,0) (1/2,3/4,1/8;-my,-my,0) 12c (1/8,0,1/4;0,my,my) (3/8,0,3/4;0,-my,my) (7/8,1/2,1/4;0,my,-my) (0,1/4,1/8;my,my,0) (0,3/4,3/8;-my,my,0) (1/4,7/8,1/2;-my,0,my) (1/4,1/8,0;my,0,my) (5/8,1/2,3/4;0,-my,-my) (3/4,3/8,0;my,0,-my) (3/4,5/8,1/2;-my,0,-my) (1/2,1/4,7/8;my,-my,0) (1/2,3/4,5/8;-my,-my,0) 8b (7/8,7/8,7/8;0,0,0) (1/8,3/8,5/8;0,0,0) (5/8,1/8,3/8;0,0,0) (3/8,5/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 8a (1/8,1/8,1/8;mx,mx,mx) (3/8,1/8,7/8;mx,-mx,mx) (7/8,3/8,1/8;mx,mx,-mx) (1/8,7/8,3/8;-mx,mx,mx) (5/8,3/8,7/8;mx,-mx,-mx) (7/8,5/8,3/8;-mx,mx,-mx) (3/8,7/8,5/8;-mx,-mx,mx) (5/8,5/8,5/8;-mx,-mx,-mx) ---------- OG: 215.1.1572 P-43m UNI: 215.70 P-43m.1 BNS: 215.70 P-43m Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) 12i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 12h (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x,0,1/2;mx,0,0) (0,1/2,x;0,0,-mx) (0,1/2,-x;0,0,mx) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,0,1/2;-mx,0,0) 6g (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,-x,1/2;0,0,0) 6f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 4e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 215.2.1573 P-43m1' UNI: 215.71 P-43m.1' BNS: 215.71 P-43m1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24j (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) 12i (x,x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 12h (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (1/2,x,0;0,0,0) (x,0,1/2;0,0,0) 6g (x,1/2,1/2;0,0,0) (-x,1/2,1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,-x,1/2;0,0,0) 6f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 4e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 215.3.1574 P-4'3m' UNI: 215.72 P-4'3m' BNS: 215.72 P-4'3m' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 12i (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 12h (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (1/2,x,0;0,mx,0) (x,0,1/2;mx,0,0) 6g (x,1/2,1/2;mx,0,0) (-x,1/2,1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,1/2,-x;0,0,-mx) (1/2,-x,1/2;0,-mx,0) 6f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 4e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 3d (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 215.4.1575 P_F-43m UNI: 216.77 F-43m.1'_I[P-43m] BNS: 216.77 F_S-43m OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' (-4x|1,1,1)' (-4x-1|1,1,1)' (-4y|1,1,1)' (-4y-1|1,1,1)' (-4z|1,1,1)' (-4z-1|1,1,1)' (mxy|1,1,1)' (m-xy|1,1,1)' (myz|1,1,1)' (m-yz|1,1,1)' (mxz|1,1,1)' (m-xz|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) (-x+1,z+1,-y+1;-mx,mz,-my) (-x+1,-z+1,y+1;-mx,-mz,my) (-z+1,-y+1,x+1;-mz,-my,mx) (z+1,-y+1,-x+1;mz,-my,-mx) (y+1,-x+1,-z+1;my,-mx,-mz) (-y+1,x+1,-z+1;-my,mx,-mz) (-y+1,-x+1,z+1;-my,-mx,mz) (y+1,x+1,z+1;my,mx,mz) (x+1,-z+1,-y+1;mx,-mz,-my) (x+1,z+1,y+1;mx,mz,my) (-z+1,y+1,-x+1;-mz,my,-mx) (z+1,y+1,x+1;mz,my,mx) 96i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1,x+1,z+1;-mx,mx,0) (x+1,-x+1,-z+1;-mx,-mx,0) (-x+1,x+1,-z+1;mx,mx,0) (-x+1,-x+1,z+1;mx,-mx,0) (z+1,x+1,x+1;0,-mx,mx) (x+1,z+1,x+1;mx,0,-mx) (-x+1,z+1,-x+1;-mx,0,mx) (-z+1,-x+1,x+1;0,mx,mx) (-x+1,-z+1,x+1;-mx,0,-mx) (z+1,-x+1,-x+1;0,mx,-mx) (x+1,-z+1,-x+1;mx,0,mx) (-z+1,x+1,-x+1;0,-mx,-mx) 96h (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (0,x,1/2;mz,0,my) (1/2,0,x;my,mz,0) (-1/2,0,-x;-my,mz,0) (0,-x,1/2;-mz,0,my) (-1/2,0,x;-my,-mz,0) (0,-x,-1/2;mz,0,-my) (1/2,0,-x;my,-mz,0) (0,x,-1/2;-mz,0,-my) (-x,0,-1/2;0,-mz,my) (-x,0,1/2;0,mz,-my) (0,-1/2,x;mz,my,0) (0,-1/2,-x;-mz,my,0) (1/2,-x,0;-my,0,mz) (-1/2,x,0;my,0,mz) (-1/2,-x,0;my,0,-mz) (1/2,x,0;-my,0,-mz) (x,0,-1/2;0,mz,my) (x,0,1/2;0,-mz,-my) (0,1/2,-x;mz,-my,0) (0,1/2,x;-mz,-my,0) 48g (x,1/2,1/2;0,0,0) (-x,1/2,-1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,-1/2,-x;0,0,0) (1/2,-x,-1/2;0,0,0) (x+1,3/2,3/2;0,0,0) (-x+1,3/2,1/2;0,0,0) (3/2,x+1,3/2;0,0,0) (3/2,3/2,x+1;0,0,0) (3/2,1/2,-x+1;0,0,0) (3/2,-x+1,1/2;0,0,0) 48f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1,1,1;0,0,0) (-x+1,1,1;0,0,0) (1,x+1,1;0,0,0) (1,1,x+1;0,0,0) (1,1,-x+1;0,0,0) (1,-x+1,1;0,0,0) 32e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (x+1,x+1,x+1;0,0,0) (x+1,-x+1,-x+1;0,0,0) (-x+1,x+1,-x+1;0,0,0) (-x+1,-x+1,x+1;0,0,0) 24d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,-1/2,0;0,0,0) 24c (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,0,-1/2;0,0,0) 8b (1/2,1/2,1/2;0,0,0) (3/2,3/2,3/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) 96i (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x,x,z+1/2;-mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 96h (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) (0,x,1/4;mz,0,my) (1/4,0,x;my,mz,0) (3/4,0,-x;-my,mz,0) (0,-x,1/4;-mz,0,my) (3/4,0,x;-my,-mz,0) (0,-x,3/4;mz,0,-my) (1/4,0,-x;my,-mz,0) (0,x,3/4;-mz,0,-my) (-x,0,3/4;0,-mz,my) (-x,0,1/4;0,mz,-my) (0,3/4,x;mz,my,0) (0,3/4,-x;-mz,my,0) (1/4,-x,0;-my,0,mz) (3/4,x,0;my,0,mz) (3/4,-x,0;my,0,-mz) (1/4,x,0;-my,0,-mz) (x,0,3/4;0,mz,my) (x,0,1/4;0,-mz,-my) (0,1/4,-x;mz,-my,0) (0,1/4,x;-mz,-my,0) 48g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) (x,1/4,3/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (3/4,-x+1/2,1/4;0,0,0) 48f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x,0,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 32e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (x,x,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) 24d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) 24c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 215.5.1576 P_F-4'3m' UNI: 219.88 F-43c.1'_I[P-43m] BNS: 219.88 F_S-43c OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1,1,1) (-4x-1|1,1,1) (-4y|1,1,1) (-4y-1|1,1,1) (-4z|1,1,1) (-4z-1|1,1,1) (mxy|1,1,1) (m-xy|1,1,1) (myz|1,1,1) (m-yz|1,1,1) (mxz|1,1,1) (m-xz|1,1,1) (1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 192j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1,z+1,-y+1;mx,-mz,my) (-x+1,-z+1,y+1;mx,mz,-my) (-z+1,-y+1,x+1;mz,my,-mx) (z+1,-y+1,-x+1;-mz,my,mx) (y+1,-x+1,-z+1;-my,mx,mz) (-y+1,x+1,-z+1;my,-mx,mz) (-y+1,-x+1,z+1;my,mx,-mz) (y+1,x+1,z+1;-my,-mx,-mz) (x+1,-z+1,-y+1;-mx,mz,my) (x+1,z+1,y+1;-mx,-mz,-my) (-z+1,y+1,-x+1;mz,-my,mx) (z+1,y+1,x+1;-mz,-my,-mx) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 96i (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x+1,z+1,-x+1;mx,-mz,mx) (-x+1,-z+1,x+1;mx,mz,-mx) (-z+1,-x+1,x+1;mz,mx,-mx) (z+1,-x+1,-x+1;-mz,mx,mx) (x+1,-x+1,-z+1;-mx,mx,mz) (-x+1,x+1,-z+1;mx,-mx,mz) (-x+1,-x+1,z+1;mx,mx,-mz) (x+1,x+1,z+1;-mx,-mx,-mz) (x+1,-z+1,-x+1;-mx,mz,mx) (x+1,z+1,x+1;-mx,-mz,-mx) (-z+1,x+1,-x+1;mz,-mx,mx) (z+1,x+1,x+1;-mz,-mx,-mx) 96h (x,1/2,0;0,my,mz) (x,-1/2,0;0,-my,-mz) (-x,1/2,0;0,my,-mz) (-x,-1/2,0;0,-my,mz) (0,x,1/2;mz,0,my) (1/2,0,x;my,mz,0) (-1/2,0,-x;-my,mz,0) (0,-x,1/2;-mz,0,my) (-1/2,0,x;-my,-mz,0) (0,-x,-1/2;mz,0,-my) (1/2,0,-x;my,-mz,0) (0,x,-1/2;-mz,0,-my) (-x+1,1,1/2;0,-mz,my) (-x+1,1,3/2;0,mz,-my) (1,1/2,x+1;mz,my,0) (1,1/2,-x+1;-mz,my,0) (3/2,-x+1,1;-my,0,mz) (1/2,x+1,1;my,0,mz) (1/2,-x+1,1;my,0,-mz) (3/2,x+1,1;-my,0,-mz) (x+1,1,1/2;0,mz,my) (x+1,1,3/2;0,-mz,-my) (1,3/2,-x+1;mz,-my,0) (1,3/2,x+1;-mz,-my,0) 48g (x,1/2,1/2;mx,0,0) (-x,1/2,-1/2;-mx,0,0) (1/2,x,1/2;0,mx,0) (1/2,1/2,x;0,0,mx) (1/2,-1/2,-x;0,0,-mx) (1/2,-x,-1/2;0,-mx,0) (-x+1,3/2,1/2;mx,0,0) (3/2,3/2,x+1;0,0,-mx) (3/2,1/2,-x+1;0,0,mx) (3/2,-x+1,1/2;0,mx,0) (3/2,x+1,3/2;0,-mx,0) (x+1,3/2,3/2;-mx,0,0) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1,1,1;mx,0,0) (1,1,x+1;0,0,-mx) (1,1,-x+1;0,0,mx) (1,-x+1,1;0,mx,0) (1,x+1,1;0,-mx,0) (x+1,1,1;-mx,0,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) 24d (1/2,0,0;mx,0,0) (-1/2,0,0;-mx,0,0) (0,1/2,0;0,mx,0) (0,0,1/2;0,0,mx) (0,0,-1/2;0,0,-mx) (0,-1/2,0;0,-mx,0) 24c (0,1/2,1/2;mx,0,0) (0,1/2,-1/2;-mx,0,0) (1/2,0,1/2;0,mx,0) (1/2,1/2,0;0,0,mx) (1/2,-1/2,0;0,0,-mx) (1/2,0,-1/2;0,-mx,0) 8b (1/2,1/2,1/2;0,0,0) (3/2,3/2,3/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (1|0,0,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 96i (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) 96h (x,1/4,0;0,my,mz) (x,3/4,0;0,-my,-mz) (-x,1/4,0;0,my,-mz) (-x,3/4,0;0,-my,mz) (0,x,1/4;mz,0,my) (1/4,0,x;my,mz,0) (3/4,0,-x;-my,mz,0) (0,-x,1/4;-mz,0,my) (3/4,0,x;-my,-mz,0) (0,-x,3/4;mz,0,-my) (1/4,0,-x;my,-mz,0) (0,x,3/4;-mz,0,-my) (-x+1/2,1/2,1/4;0,-mz,my) (-x+1/2,1/2,3/4;0,mz,-my) (1/2,1/4,x+1/2;mz,my,0) (1/2,1/4,-x+1/2;-mz,my,0) (3/4,-x+1/2,1/2;-my,0,mz) (1/4,x+1/2,1/2;my,0,mz) (1/4,-x+1/2,1/2;my,0,-mz) (3/4,x+1/2,1/2;-my,0,-mz) (x+1/2,1/2,1/4;0,mz,my) (x+1/2,1/2,3/4;0,-mz,-my) (1/2,3/4,-x+1/2;mz,-my,0) (1/2,3/4,x+1/2;-mz,-my,0) 48g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x+1/2,3/4,1/4;mx,0,0) (3/4,3/4,x+1/2;0,0,-mx) (3/4,1/4,-x+1/2;0,0,mx) (3/4,-x+1/2,1/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,3/4;-mx,0,0) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 24d (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) (0,1/4,0;0,mx,0) (0,0,1/4;0,0,mx) (0,0,3/4;0,0,-mx) (0,3/4,0;0,-mx,0) 24c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 216.1.1577 F-43m UNI: 216.74 F-43m.1 BNS: 216.74 F-43m Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) 48h (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 24g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 24f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 16e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 4d (3/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 216.2.1578 F-43m1' UNI: 216.75 F-43m.1' BNS: 216.75 F-43m1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) 48h (x,x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 24g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 24f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 16e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 4d (3/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 216.3.1579 F-4'3m' UNI: 216.76 F-4'3m' BNS: 216.76 F-4'3m' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 48h (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 24g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 24f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 16e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 4d (3/4,3/4,3/4;0,0,0) 4c (1/4,1/4,1/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 217.1.1580 I-43m UNI: 217.78 I-43m.1 BNS: 217.78 I-43m Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) 24g (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x,0,1/2;mx,0,0) (0,1/2,x;0,0,-mx) (0,1/2,-x;0,0,mx) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,0,1/2;-mx,0,0) 12e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) 8c (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 217.2.1581 I-43m1' UNI: 217.79 I-43m.1' BNS: 217.79 I-43m1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) 24g (x,x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 24f (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (1/2,x,0;0,0,0) (x,0,1/2;0,0,0) 12e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) 8c (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 217.3.1582 I-4'3m' UNI: 217.80 I-4'3m' BNS: 217.80 I-4'3m' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 24g (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (1/2,x,0;0,mx,0) (x,0,1/2;mx,0,0) 12e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 217.4.1583 I_P-43m UNI: 215.73 P-43m.1'_I[I-43m] BNS: 215.73 P_I-43m OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) 24g (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,-1/2;0,-mx,0) (-x,0,-1/2;mx,0,0) (0,1/2,x;0,0,-mx) (0,-1/2,-x;0,0,mx) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (x+1/2,1,1/2;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (-x+1/2,1/2,0;-mx,0,0) (1/2,1,x+1/2;0,0,mx) (1/2,0,-x+1/2;0,0,-mx) (1,-x+1/2,1/2;0,-mx,0) (1,x+1/2,1/2;0,mx,0) (x+1/2,1/2,1;mx,0,0) 12e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 12d (1/4,1/2,0;0,0,0) (-1/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,-1/4;0,0,0) (0,-1/4,-1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,-1/4,0;0,0,0) (1/2,1/4,0;0,0,0) (1/4,0,1/2;0,0,0) 8c (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1,1;0,0,0) (1,1/2,1;0,0,0) (1,1,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions (BNS): 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) 24g (x,x,z;mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x,0,1/2;mx,0,0) (0,1/2,x;0,0,-mx) (0,1/2,-x;0,0,mx) (1/2,-x,0;0,mx,0) (1/2,x,0;0,-mx,0) (x,0,1/2;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,x+1/2,0;0,-mx,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (-x+1/2,1/2,0;-mx,0,0) (1/2,0,x+1/2;0,0,mx) (1/2,0,-x+1/2;0,0,-mx) (0,-x+1/2,1/2;0,-mx,0) (0,x+1/2,1/2;0,mx,0) (x+1/2,1/2,0;mx,0,0) 12e (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) 12d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) (1/4,0,1/2;0,0,0) 8c (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 217.5.1584 I_P-4'3m' UNI: 218.84 P-43n.1'_I[I-43m] BNS: 218.84 P_I-43n OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 24g (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,-1/2;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (1/2,1,x+1/2;0,0,-mx) (1/2,0,-x+1/2;0,0,mx) (1,-x+1/2,1/2;0,mx,0) (1,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1;-mx,0,0) (x+1/2,1,1/2;-mx,0,0) (-x+1/2,1,1/2;mx,0,0) (1/2,x+1/2,1;0,-mx,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (-x,0,-1/2;-mx,0,0) (0,1/2,x;0,0,mx) (0,-1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (1/2,x,0;0,mx,0) (x,0,1/2;mx,0,0) 12e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 12d (1/4,1/2,0;mx,0,0) (-1/4,1/2,0;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,-1/4;0,0,-mx) (0,-1/4,-1/2;0,-mx,0) (3/4,1,1/2;-mx,0,0) (1/4,1,1/2;mx,0,0) (1/2,3/4,1;0,-mx,0) (1,1/2,3/4;0,0,-mx) (1,1/2,1/4;0,0,mx) (1/2,1/4,0;0,mx,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1,1;0,0,0) (1,1,1/2;0,0,0) (1,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' Wyckoff positions (BNS): 48h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) 24g (x,x,z;mx,mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) 24f (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (1/2,0,x+1/2;0,0,-mx) (1/2,0,-x+1/2;0,0,mx) (0,-x+1/2,1/2;0,mx,0) (0,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,0;-mx,0,0) (x+1/2,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,x+1/2,0;0,-mx,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (-x,0,1/2;-mx,0,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (1/2,x,0;0,mx,0) (x,0,1/2;mx,0,0) 12e (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 12d (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) (3/4,0,1/2;-mx,0,0) (1/4,0,1/2;mx,0,0) (1/2,3/4,0;0,-mx,0) (0,1/2,3/4;0,0,-mx) (0,1/2,1/4;0,0,mx) (1/2,1/4,0;0,mx,0) 8c (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 218.1.1585 P-43n UNI: 218.81 P-43n.1 BNS: 218.81 P-43n Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) 12h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (-x+1/2,0,1/2;mx,0,0) (0,1/2,x+1/2;0,0,-mx) (0,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (1/2,x+1/2,0;0,-mx,0) (x+1/2,0,1/2;-mx,0,0) 12g (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (1/2,0,x+1/2;0,0,-mx) (1/2,0,-x+1/2;0,0,mx) (0,-x+1/2,1/2;0,mx,0) (0,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,0;-mx,0,0) 12f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 8e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 6d (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) (1/2,1/4,0;0,mx,0) (0,1/2,1/4;0,0,mx) (0,1/2,3/4;0,0,-mx) (1/2,3/4,0;0,-mx,0) 6c (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (0,1/4,1/2;0,mx,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 218.2.1586 P-43n1' UNI: 218.82 P-43n.1' BNS: 218.82 P-43n1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24i (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x+1/2,z+1/2,-y+1/2;0,0,0) (-x+1/2,-z+1/2,y+1/2;0,0,0) (-z+1/2,-y+1/2,x+1/2;0,0,0) (z+1/2,-y+1/2,-x+1/2;0,0,0) (y+1/2,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z+1/2,-y+1/2;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z+1/2,y+1/2,-x+1/2;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) 12h (x,0,1/2;0,0,0) (-x,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,0;0,0,0) (1/2,x+1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) 12g (x,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) (-x+1/2,1/2,0;0,0,0) (1/2,0,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (x+1/2,1/2,0;0,0,0) 12f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) 8e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 6d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) 6c (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 218.3.1587 P-4'3n' UNI: 218.83 P-4'3n' BNS: 218.83 P-4'3n' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 24i (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) 12h (x,0,1/2;mx,0,0) (-x,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (-x+1/2,0,1/2;-mx,0,0) (0,1/2,x+1/2;0,0,mx) (0,1/2,-x+1/2;0,0,-mx) (1/2,-x+1/2,0;0,-mx,0) (1/2,x+1/2,0;0,mx,0) (x+1/2,0,1/2;mx,0,0) 12g (x,1/2,0;mx,0,0) (-x,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) (-x+1/2,1/2,0;-mx,0,0) (1/2,0,x+1/2;0,0,mx) (1/2,0,-x+1/2;0,0,-mx) (0,-x+1/2,1/2;0,-mx,0) (0,x+1/2,1/2;0,mx,0) (x+1/2,1/2,0;mx,0,0) 12f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,x+1/2;0,0,mx) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,-x+1/2,1/2;0,-mx,0) (1/2,x+1/2,1/2;0,mx,0) (x+1/2,1/2,1/2;mx,0,0) 8e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 6d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (1/2,1/4,0;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) 6c (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (0,1/4,1/2;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 219.1.1588 F-43c UNI: 219.85 F-43c.1 BNS: 219.85 F-43c Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) 48g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x+1/2,3/4,1/4;mx,0,0) (3/4,3/4,x+1/2;0,0,-mx) (3/4,1/4,-x+1/2;0,0,mx) (3/4,-x+1/2,1/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,3/4;-mx,0,0) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 24d (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) (0,1/4,0;0,mx,0) (0,0,1/4;0,0,mx) (0,0,3/4;0,0,-mx) (0,3/4,0;0,-mx,0) 24c (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,0,1/4;0,mx,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 219.2.1589 F-43c1' UNI: 219.86 F-43c.1' BNS: 219.86 F-43c1' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x+1/2,z+1/2,-y+1/2;0,0,0) (-x+1/2,-z+1/2,y+1/2;0,0,0) (-z+1/2,-y+1/2,x+1/2;0,0,0) (z+1/2,-y+1/2,-x+1/2;0,0,0) (y+1/2,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z+1/2,-y+1/2;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z+1/2,y+1/2,-x+1/2;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) 48g (x,1/4,1/4;0,0,0) (-x,1/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (3/4,-x+1/2,1/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 48f (x,0,0;0,0,0) (-x,0,0;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (x+1/2,1/2,1/2;0,0,0) 32e (x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 24d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) 24c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 219.3.1590 F-4'3c' UNI: 219.87 F-4'3c' BNS: 219.87 F-4'3c' Operators: (1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 96h (x,y,z;mx,my,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) 48g (x,1/4,1/4;mx,0,0) (-x,1/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (3/4,3/4,x+1/2;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,1/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 48f (x,0,0;mx,0,0) (-x,0,0;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) (-x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,x+1/2;0,0,mx) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,-x+1/2,1/2;0,-mx,0) (1/2,x+1/2,1/2;0,mx,0) (x+1/2,1/2,1/2;mx,0,0) 32e (x,x,x;mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 24d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) 24c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 220.1.1591 I-43d UNI: 220.89 I-43d.1 BNS: 220.89 I-43d Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-4x|1/4,1/4,3/4) (-4x-1|3/4,1/4,1/4) (-4y|3/4,1/4,1/4) (-4y-1|1/4,3/4,1/4) (-4z|1/4,3/4,1/4) (-4z-1|1/4,1/4,3/4) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (myz|1/4,3/4,1/4) (m-yz|1/4,1/4,1/4) (mxz|1/4,1/4,3/4) (m-xz|1/4,1/4,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x+1/4,z+1/4,-y+3/4;mx,-mz,my) (-x+3/4,-z+1/4,y+1/4;mx,mz,-my) (-z+3/4,-y+1/4,x+1/4;mz,my,-mx) (z+1/4,-y+3/4,-x+1/4;-mz,my,mx) (y+1/4,-x+3/4,-z+1/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) (x+1/4,-z+3/4,-y+1/4;-mx,mz,my) (x+1/4,z+1/4,y+1/4;-mx,-mz,-my) (-z+1/4,y+1/4,-x+3/4;mz,-my,mx) (z+1/4,y+1/4,x+1/4;-mz,-my,-mx) 24d (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x+1/4,1/2,3/4;mx,0,0) (1/2,1/4,x+1/4;0,0,-mx) (1/2,3/4,-x+1/4;0,0,mx) (1/4,-x+3/4,0;0,mx,0) (1/4,x+1/4,1/2;0,-mx,0) (x+1/4,1/2,1/4;-mx,0,0) 16c (x,x,x;mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,x+1/4,-x+3/4;mx,-mx,mx) (-x+3/4,-x+1/4,x+1/4;mx,mx,-mx) (x+1/4,-x+3/4,-x+1/4;-mx,mx,mx) (x+1/4,x+1/4,x+1/4;-mx,-mx,-mx) 12b (7/8,0,1/4;mx,0,0) (5/8,0,3/4;-mx,0,0) (1/4,7/8,0;0,mx,0) (0,1/4,7/8;0,0,mx) (0,3/4,5/8;0,0,-mx) (1/4,1/8,1/2;0,-mx,0) 12a (3/8,0,1/4;mx,0,0) (1/8,0,3/4;-mx,0,0) (1/4,3/8,0;0,mx,0) (0,1/4,3/8;0,0,mx) (0,3/4,1/8;0,0,-mx) (1/4,5/8,1/2;0,-mx,0) ---------- OG: 220.2.1592 I-43d1' UNI: 220.90 I-43d.1' BNS: 220.90 I-43d1' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-4x|1/4,1/4,3/4) (-4x-1|3/4,1/4,1/4) (-4y|3/4,1/4,1/4) (-4y-1|1/4,3/4,1/4) (-4z|1/4,3/4,1/4) (-4z-1|1/4,1/4,3/4) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (myz|1/4,3/4,1/4) (m-yz|1/4,1/4,1/4) (mxz|1/4,1/4,3/4) (m-xz|1/4,1/4,1/4) (1|0,0,0)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' (-4x|1/4,1/4,3/4)' (-4x-1|3/4,1/4,1/4)' (-4y|3/4,1/4,1/4)' (-4y-1|1/4,3/4,1/4)' (-4z|1/4,3/4,1/4)' (-4z-1|1/4,1/4,3/4)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (myz|1/4,3/4,1/4)' (m-yz|1/4,1/4,1/4)' (mxz|1/4,1/4,3/4)' (m-xz|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x;0,0,0) (-z,-x+1/2,y;0,0,0) (-y,-z+1/2,x;0,0,0) (z,-x,-y+1/2;0,0,0) (y,-z,-x+1/2;0,0,0) (-z+1/2,x,-y;0,0,0) (-x+1/4,z+1/4,-y+3/4;0,0,0) (-x+3/4,-z+1/4,y+1/4;0,0,0) (-z+3/4,-y+1/4,x+1/4;0,0,0) (z+1/4,-y+3/4,-x+1/4;0,0,0) (y+1/4,-x+3/4,-z+1/4;0,0,0) (-y+1/4,x+1/4,-z+3/4;0,0,0) (-y+3/4,-x+1/4,z+1/4;0,0,0) (y+1/4,x+1/4,z+1/4;0,0,0) (x+1/4,-z+3/4,-y+1/4;0,0,0) (x+1/4,z+1/4,y+1/4;0,0,0) (-z+1/4,y+1/4,-x+3/4;0,0,0) (z+1/4,y+1/4,x+1/4;0,0,0) 24d (x,0,1/4;0,0,0) (-x+1/2,0,3/4;0,0,0) (1/4,x,0;0,0,0) (0,1/4,x;0,0,0) (0,3/4,-x+1/2;0,0,0) (1/4,-x,1/2;0,0,0) (-x+1/4,1/2,3/4;0,0,0) (1/2,1/4,x+1/4;0,0,0) (1/2,3/4,-x+1/4;0,0,0) (1/4,-x+3/4,0;0,0,0) (1/4,x+1/4,1/2;0,0,0) (x+1/4,1/2,1/4;0,0,0) 16c (x,x,x;0,0,0) (x,-x,-x+1/2;0,0,0) (-x+1/2,x,-x;0,0,0) (-x,-x+1/2,x;0,0,0) (-x+1/4,x+1/4,-x+3/4;0,0,0) (-x+3/4,-x+1/4,x+1/4;0,0,0) (x+1/4,-x+3/4,-x+1/4;0,0,0) (x+1/4,x+1/4,x+1/4;0,0,0) 12b (7/8,0,1/4;0,0,0) (5/8,0,3/4;0,0,0) (1/4,7/8,0;0,0,0) (0,1/4,7/8;0,0,0) (0,3/4,5/8;0,0,0) (1/4,1/8,1/2;0,0,0) 12a (3/8,0,1/4;0,0,0) (1/8,0,3/4;0,0,0) (1/4,3/8,0;0,0,0) (0,1/4,3/8;0,0,0) (0,3/4,1/8;0,0,0) (1/4,5/8,1/2;0,0,0) ---------- OG: 220.3.1593 I-4'3d' UNI: 220.91 I-4'3d' BNS: 220.91 I-4'3d' Operators: (1|0,0,0) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-4x|1/4,1/4,3/4)' (-4x-1|3/4,1/4,1/4)' (-4y|3/4,1/4,1/4)' (-4y-1|1/4,3/4,1/4)' (-4z|1/4,3/4,1/4)' (-4z-1|1/4,1/4,3/4)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (myz|1/4,3/4,1/4)' (m-yz|1/4,1/4,1/4)' (mxz|1/4,1/4,3/4)' (m-xz|1/4,1/4,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 48e (x,y,z;mx,my,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x+1/4,z+1/4,-y+3/4;-mx,mz,-my) (-x+3/4,-z+1/4,y+1/4;-mx,-mz,my) (-z+3/4,-y+1/4,x+1/4;-mz,-my,mx) (z+1/4,-y+3/4,-x+1/4;mz,-my,-mx) (y+1/4,-x+3/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) (x+1/4,-z+3/4,-y+1/4;mx,-mz,-my) (x+1/4,z+1/4,y+1/4;mx,mz,my) (-z+1/4,y+1/4,-x+3/4;-mz,my,-mx) (z+1/4,y+1/4,x+1/4;mz,my,mx) 24d (x,0,1/4;mx,0,0) (-x+1/2,0,3/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x+1/4,1/2,3/4;-mx,0,0) (1/2,1/4,x+1/4;0,0,mx) (1/2,3/4,-x+1/4;0,0,-mx) (1/4,-x+3/4,0;0,-mx,0) (1/4,x+1/4,1/2;0,mx,0) (x+1/4,1/2,1/4;mx,0,0) 16c (x,x,x;mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,x+1/4,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+1/4,x+1/4;-mx,-mx,mx) (x+1/4,-x+3/4,-x+1/4;mx,-mx,-mx) (x+1/4,x+1/4,x+1/4;mx,mx,mx) 12b (7/8,0,1/4;0,0,0) (5/8,0,3/4;0,0,0) (1/4,7/8,0;0,0,0) (0,1/4,7/8;0,0,0) (0,3/4,5/8;0,0,0) (1/4,1/8,1/2;0,0,0) 12a (3/8,0,1/4;0,0,0) (1/8,0,3/4;0,0,0) (1/4,3/8,0;0,0,0) (0,1/4,3/8;0,0,0) (0,3/4,1/8;0,0,0) (1/4,5/8,1/2;0,0,0) ---------- OG: 221.1.1594 Pm-3m UNI: 221.92 Pm-3m.1 BNS: 221.92 Pm-3m Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48n (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 24m (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 24l (1/2,y,z;mx,0,0) (1/2,-z,y;mx,0,0) (1/2,z,-y;mx,0,0) (z,y,1/2;0,0,-mx) (-z,y,1/2;0,0,mx) (-y,1/2,z;0,mx,0) (y,1/2,z;0,-mx,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z;0,mx,0) (-y,1/2,-z;0,-mx,0) (1/2,z,y;-mx,0,0) (1/2,-z,-y;-mx,0,0) (z,-y,1/2;0,0,mx) (-z,-y,1/2;0,0,-mx) (z,1/2,y;0,mx,0) (y,z,1/2;0,0,mx) (-y,z,1/2;0,0,-mx) (-z,1/2,y;0,-mx,0) (-y,-z,1/2;0,0,mx) (z,1/2,-y;0,-mx,0) (y,-z,1/2;0,0,-mx) (-z,1/2,-y;0,mx,0) 24k (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 12j (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 12i (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 12h (x,1/2,0;0,0,0) (x,0,1/2;0,0,0) (0,1/2,-x;0,0,0) (0,1/2,x;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 8g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 221.2.1595 Pm-3m1' UNI: 221.93 Pm-3m.1' BNS: 221.93 Pm-3m1' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48n (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 24m (x,x,z;0,0,0) (x,-z,x;0,0,0) (x,z,-x;0,0,0) (z,x,-x;0,0,0) (-z,x,x;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) (-x,z,x;0,0,0) (-x,-z,-x;0,0,0) (z,-x,x;0,0,0) (-z,-x,-x;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 24l (1/2,y,z;0,0,0) (1/2,-z,y;0,0,0) (1/2,z,-y;0,0,0) (z,y,1/2;0,0,0) (-z,y,1/2;0,0,0) (-y,1/2,z;0,0,0) (y,1/2,z;0,0,0) (1/2,-y,-z;0,0,0) (1/2,y,-z;0,0,0) (1/2,-y,z;0,0,0) (y,1/2,-z;0,0,0) (-y,1/2,-z;0,0,0) (1/2,z,y;0,0,0) (1/2,-z,-y;0,0,0) (z,-y,1/2;0,0,0) (-z,-y,1/2;0,0,0) (z,1/2,y;0,0,0) (y,z,1/2;0,0,0) (-y,z,1/2;0,0,0) (-z,1/2,y;0,0,0) (-y,-z,1/2;0,0,0) (z,1/2,-y;0,0,0) (y,-z,1/2;0,0,0) (-z,1/2,-y;0,0,0) 24k (0,y,z;0,0,0) (0,-z,y;0,0,0) (0,z,-y;0,0,0) (z,y,0;0,0,0) (-z,y,0;0,0,0) (-y,0,z;0,0,0) (y,0,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y,0,-z;0,0,0) (-y,0,-z;0,0,0) (0,z,y;0,0,0) (0,-z,-y;0,0,0) (z,-y,0;0,0,0) (-z,-y,0;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 12j (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 12i (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 12h (x,1/2,0;0,0,0) (x,0,1/2;0,0,0) (0,1/2,-x;0,0,0) (0,1/2,x;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 8g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 221.3.1596 Pm'-3'm UNI: 221.94 Pm'-3'm BNS: 221.94 Pm'-3'm Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48n (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24m (x,x,z;mx,-mx,0) (x,-z,x;-mx,0,mx) (x,z,-x;-mx,0,-mx) (z,x,-x;0,mx,mx) (-z,x,x;0,mx,-mx) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z,x;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z,-x,x;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 24l (1/2,y,z;0,my,mz) (1/2,-z,y;0,mz,-my) (1/2,z,-y;0,-mz,my) (z,y,1/2;-mz,-my,0) (-z,y,1/2;mz,-my,0) (-y,1/2,z;my,0,-mz) (y,1/2,z;-my,0,-mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z;-my,0,mz) (-y,1/2,-z;my,0,mz) (1/2,z,y;0,-mz,-my) (1/2,-z,-y;0,mz,my) (z,-y,1/2;-mz,my,0) (-z,-y,1/2;mz,my,0) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,1/2;-my,mz,0) (-z,1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,1/2,-y;mz,0,-my) (y,-z,1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) 24k (0,y,z;0,my,mz) (0,-z,y;0,mz,-my) (0,z,-y;0,-mz,my) (z,y,0;-mz,-my,0) (-z,y,0;mz,-my,0) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (0,z,y;0,-mz,-my) (0,-z,-y;0,mz,my) (z,-y,0;-mz,my,0) (-z,-y,0;mz,my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 12j (1/2,y,y;0,my,-my) (1/2,-y,y;0,-my,-my) (1/2,y,-y;0,my,my) (y,y,1/2;my,-my,0) (-y,y,1/2;-my,-my,0) (-y,1/2,y;my,0,my) (y,1/2,y;-my,0,my) (1/2,-y,-y;0,-my,my) (y,1/2,-y;-my,0,-my) (-y,1/2,-y;my,0,-my) (y,-y,1/2;my,my,0) (-y,-y,1/2;-my,my,0) 12i (0,y,y;0,my,-my) (0,-y,y;0,-my,-my) (0,y,-y;0,my,my) (y,y,0;my,-my,0) (-y,y,0;-my,-my,0) (-y,0,y;my,0,my) (y,0,y;-my,0,my) (0,-y,-y;0,-my,my) (y,0,-y;-my,0,-my) (-y,0,-y;my,0,-my) (y,-y,0;my,my,0) (-y,-y,0;-my,my,0) 12h (x,1/2,0;mx,0,0) (x,0,1/2;-mx,0,0) (0,1/2,-x;0,0,mx) (0,1/2,x;0,0,-mx) (1/2,x,0;0,-mx,0) (1/2,-x,0;0,mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 8g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 221.4.1597 Pm-3m' UNI: 221.95 Pm-3m' BNS: 221.95 Pm-3m' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48n (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 24m (x,x,z;mx,mx,mz) (x,-z,x;-mx,mz,-mx) (x,z,-x;-mx,-mz,mx) (z,x,-x;-mz,-mx,mx) (-z,x,x;mz,-mx,-mx) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) (-x,z,x;mx,-mz,-mx) (-x,-z,-x;mx,mz,mx) (z,-x,x;-mz,mx,-mx) (-z,-x,-x;mz,mx,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 24l (1/2,y,z;mx,0,0) (1/2,-z,y;-mx,0,0) (1/2,z,-y;-mx,0,0) (z,y,1/2;0,0,mx) (-z,y,1/2;0,0,-mx) (-y,1/2,z;0,-mx,0) (y,1/2,z;0,mx,0) (1/2,-y,-z;mx,0,0) (1/2,y,-z;-mx,0,0) (1/2,-y,z;-mx,0,0) (y,1/2,-z;0,-mx,0) (-y,1/2,-z;0,mx,0) (1/2,z,y;mx,0,0) (1/2,-z,-y;mx,0,0) (z,-y,1/2;0,0,-mx) (-z,-y,1/2;0,0,mx) (z,1/2,y;0,mx,0) (y,z,1/2;0,0,mx) (-y,z,1/2;0,0,-mx) (-z,1/2,y;0,-mx,0) (-y,-z,1/2;0,0,mx) (z,1/2,-y;0,-mx,0) (y,-z,1/2;0,0,-mx) (-z,1/2,-y;0,mx,0) 24k (0,y,z;mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 12j (1/2,y,y;mx,0,0) (1/2,-y,y;-mx,0,0) (1/2,y,-y;-mx,0,0) (y,y,1/2;0,0,mx) (-y,y,1/2;0,0,-mx) (-y,1/2,y;0,-mx,0) (y,1/2,y;0,mx,0) (1/2,-y,-y;mx,0,0) (y,1/2,-y;0,-mx,0) (-y,1/2,-y;0,mx,0) (y,-y,1/2;0,0,-mx) (-y,-y,1/2;0,0,mx) 12i (0,y,y;mx,0,0) (0,-y,y;-mx,0,0) (0,y,-y;-mx,0,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (y,0,y;0,mx,0) (0,-y,-y;mx,0,0) (y,0,-y;0,-mx,0) (-y,0,-y;0,mx,0) (y,-y,0;0,0,-mx) (-y,-y,0;0,0,mx) 12h (x,1/2,0;0,0,0) (x,0,1/2;0,0,0) (0,1/2,-x;0,0,0) (0,1/2,x;0,0,0) (1/2,x,0;0,0,0) (1/2,-x,0;0,0,0) (-x,1/2,0;0,0,0) (-x,0,1/2;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 8g (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 6f (x,1/2,1/2;0,0,0) (1/2,1/2,-x;0,0,0) (1/2,1/2,x;0,0,0) (1/2,x,1/2;0,0,0) (1/2,-x,1/2;0,0,0) (-x,1/2,1/2;0,0,0) 6e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 221.5.1598 Pm'-3'm' UNI: 221.96 Pm'-3'm' BNS: 221.96 Pm'-3'm' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48n (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24m (x,x,z;mx,mx,mz) (x,-z,x;mx,-mz,mx) (x,z,-x;mx,mz,-mx) (z,x,-x;mz,mx,-mx) (-z,x,x;-mz,mx,mx) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z,x;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z,-x,x;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 24l (1/2,y,z;0,my,mz) (1/2,-z,y;0,-mz,my) (1/2,z,-y;0,mz,-my) (z,y,1/2;mz,my,0) (-z,y,1/2;-mz,my,0) (-y,1/2,z;-my,0,mz) (y,1/2,z;my,0,mz) (1/2,-y,-z;0,-my,-mz) (1/2,y,-z;0,my,-mz) (1/2,-y,z;0,-my,mz) (y,1/2,-z;my,0,-mz) (-y,1/2,-z;-my,0,-mz) (1/2,z,y;0,mz,my) (1/2,-z,-y;0,-mz,-my) (z,-y,1/2;mz,-my,0) (-z,-y,1/2;-mz,-my,0) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,1/2;-my,mz,0) (-z,1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,1/2,-y;mz,0,-my) (y,-z,1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) 24k (0,y,z;0,my,mz) (0,-z,y;0,-mz,my) (0,z,-y;0,mz,-my) (z,y,0;mz,my,0) (-z,y,0;-mz,my,0) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,z,y;0,mz,my) (0,-z,-y;0,-mz,-my) (z,-y,0;mz,-my,0) (-z,-y,0;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 12j (1/2,y,y;0,my,my) (1/2,-y,y;0,-my,my) (1/2,y,-y;0,my,-my) (y,y,1/2;my,my,0) (-y,y,1/2;-my,my,0) (-y,1/2,y;-my,0,my) (y,1/2,y;my,0,my) (1/2,-y,-y;0,-my,-my) (y,1/2,-y;my,0,-my) (-y,1/2,-y;-my,0,-my) (y,-y,1/2;my,-my,0) (-y,-y,1/2;-my,-my,0) 12i (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 12h (x,1/2,0;mx,0,0) (x,0,1/2;mx,0,0) (0,1/2,-x;0,0,-mx) (0,1/2,x;0,0,mx) (1/2,x,0;0,mx,0) (1/2,-x,0;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x,0,1/2;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 8g (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 6f (x,1/2,1/2;mx,0,0) (1/2,1/2,-x;0,0,-mx) (1/2,1/2,x;0,0,mx) (1/2,x,1/2;0,mx,0) (1/2,-x,1/2;0,-mx,0) (-x,1/2,1/2;-mx,0,0) 6e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 3d (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 3c (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 1b (1/2,1/2,1/2;0,0,0) 1a (0,0,0;0,0,0) ---------- OG: 221.6.1599 P_Fm-3m UNI: 225.121 Fm-3m.1'_I[Pm-3m] BNS: 225.121 F_Sm-3m OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1,1,1)' (4x|1,1,1)' (4x-1|1,1,1)' (4y|1,1,1)' (4y-1|1,1,1)' (4z|1,1,1)' (4z-1|1,1,1)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (2xy|1,1,1)' (2-xy|1,1,1)' (2yz|1,1,1)' (2-yz|1,1,1)' (2xz|1,1,1)' (2-xz|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' (-1|1,1,1)' (-4x|1,1,1)' (-4x-1|1,1,1)' (-4y|1,1,1)' (-4y-1|1,1,1)' (-4z|1,1,1)' (-4z-1|1,1,1)' (mx|1,1,1)' (my|1,1,1)' (mz|1,1,1)' (mxy|1,1,1)' (m-xy|1,1,1)' (myz|1,1,1)' (m-yz|1,1,1)' (mxz|1,1,1)' (m-xz|1,1,1)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|1,1,1)' (-3-xyz-1|1,1,1)' (-3x-yz|1,1,1)' (-3x-yz-1|1,1,1)' (-3xy-z|1,1,1)' (-3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 384n (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1,-z+1,y+1;-mx,mz,-my) (x+1,z+1,-y+1;-mx,-mz,my) (z+1,y+1,-x+1;-mz,-my,mx) (-z+1,y+1,x+1;mz,-my,-mx) (-y+1,x+1,z+1;my,-mx,-mz) (y+1,-x+1,z+1;-my,mx,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (y+1,x+1,-z+1;-my,-mx,mz) (-y+1,-x+1,-z+1;my,mx,mz) (-x+1,z+1,y+1;mx,-mz,-my) (-x+1,-z+1,-y+1;mx,mz,my) (z+1,-y+1,x+1;-mz,my,-mx) (-z+1,-y+1,-x+1;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1,z+1,-y+1;-mx,mz,-my) (-x+1,-z+1,y+1;-mx,-mz,my) (-z+1,-y+1,x+1;-mz,-my,mx) (z+1,-y+1,-x+1;mz,-my,-mx) (y+1,-x+1,-z+1;my,-mx,-mz) (-y+1,x+1,-z+1;-my,mx,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) (x+1,y+1,-z+1;mx,my,-mz) (-y+1,-x+1,z+1;-my,-mx,mz) (y+1,x+1,z+1;my,mx,mz) (x+1,-z+1,-y+1;mx,-mz,-my) (x+1,z+1,y+1;mx,mz,my) (-z+1,y+1,-x+1;-mz,my,-mx) (z+1,y+1,x+1;mz,my,mx) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+1,-z+1,x+1;my,-mz,mx) (z+1,x+1,-y+1;mz,mx,-my) (y+1,z+1,-x+1;my,mz,-mx) (-z+1,x+1,y+1;-mz,mx,my) (-y+1,z+1,x+1;-my,mz,mx) (z+1,-x+1,y+1;mz,-mx,my) 192m (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1,x+1,z+1;-mx,mx,0) (x+1,-z+1,x+1;-mx,0,mx) (x+1,z+1,-x+1;-mx,0,-mx) (z+1,x+1,-x+1;0,mx,mx) (-z+1,x+1,x+1;0,mx,-mx) (-x+1,x+1,z+1;-mx,-mx,0) (x+1,-x+1,z+1;mx,mx,0) (x+1,-x+1,-z+1;-mx,-mx,0) (-x+1,x+1,-z+1;mx,mx,0) (-x+1,-x+1,z+1;mx,-mx,0) (x+1,x+1,-z+1;mx,-mx,0) (-x+1,-x+1,-z+1;-mx,mx,0) (-x+1,z+1,x+1;mx,0,mx) (-x+1,-z+1,-x+1;mx,0,-mx) (z+1,-x+1,x+1;0,-mx,-mx) (-z+1,-x+1,-x+1;0,-mx,mx) (z+1,x+1,x+1;0,-mx,mx) (x+1,z+1,x+1;mx,0,-mx) (-x+1,z+1,-x+1;-mx,0,mx) (-z+1,-x+1,x+1;0,mx,mx) (-x+1,-z+1,x+1;-mx,0,-mx) (z+1,-x+1,-x+1;0,mx,-mx) (x+1,-z+1,-x+1;mx,0,mx) (-z+1,x+1,-x+1;0,-mx,-mx) 192l (1/2,y,z;0,my,mz) (1/2,-z,y;0,-mz,my) (1/2,z,-y;0,mz,-my) (z,y,-1/2;mz,my,0) (-z,y,1/2;-mz,my,0) (-y,1/2,z;-my,0,mz) (y,-1/2,z;my,0,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (y,1/2,-z;my,0,-mz) (-y,-1/2,-z;-my,0,-mz) (-1/2,z,y;0,mz,my) (-1/2,-z,-y;0,-mz,-my) (z,-y,1/2;mz,-my,0) (-z,-y,-1/2;-mz,-my,0) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,-1/2;-my,mz,0) (-z,-1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,-1/2,-y;mz,0,-my) (y,-z,-1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) (-1/2,-y,-z;0,my,mz) (-1/2,z,-y;0,-mz,my) (-1/2,-z,y;0,mz,-my) (-z,-y,1/2;mz,my,0) (z,-y,-1/2;-mz,my,0) (y,-1/2,-z;-my,0,mz) (-y,1/2,-z;my,0,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) (-y,-1/2,z;my,0,-mz) (y,1/2,z;-my,0,-mz) (1/2,-z,-y;0,mz,my) (1/2,z,y;0,-mz,-my) (-z,y,-1/2;mz,-my,0) (z,y,1/2;-mz,-my,0) (-z,-1/2,-y;mz,0,my) (-y,-z,-1/2;my,mz,0) (y,-z,1/2;-my,mz,0) (z,1/2,-y;-mz,0,my) (y,z,-1/2;-my,-mz,0) (-z,1/2,y;mz,0,-my) (-y,z,1/2;my,-mz,0) (z,-1/2,y;-mz,0,-my) 192k (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1,y+1,z+1;-mx,0,0) (1,-z+1,y+1;-mx,0,0) (1,z+1,-y+1;-mx,0,0) (z+1,y+1,1;0,0,mx) (-z+1,y+1,1;0,0,-mx) (-y+1,1,z+1;0,-mx,0) (y+1,1,z+1;0,mx,0) (1,-y+1,-z+1;-mx,0,0) (1,y+1,-z+1;mx,0,0) (1,-y+1,z+1;mx,0,0) (y+1,1,-z+1;0,-mx,0) (-y+1,1,-z+1;0,mx,0) (1,z+1,y+1;mx,0,0) (1,-z+1,-y+1;mx,0,0) (z+1,-y+1,1;0,0,-mx) (-z+1,-y+1,1;0,0,mx) (z+1,1,y+1;0,-mx,0) (y+1,z+1,1;0,0,-mx) (-y+1,z+1,1;0,0,mx) (-z+1,1,y+1;0,mx,0) (-y+1,-z+1,1;0,0,-mx) (z+1,1,-y+1;0,mx,0) (y+1,-z+1,1;0,0,mx) (-z+1,1,-y+1;0,-mx,0) 96j (1/2,y,y;0,my,-my) (1/2,-y,y;0,my,my) (1/2,y,-y;0,-my,-my) (y,y,-1/2;-my,my,0) (-y,y,1/2;my,my,0) (-y,1/2,y;-my,0,-my) (y,-1/2,y;my,0,-my) (1/2,-y,-y;0,-my,my) (-1/2,y,-y;0,my,my) (-1/2,-y,y;0,-my,-my) (y,1/2,-y;my,0,my) (-y,-1/2,-y;-my,0,my) (-1/2,y,y;0,-my,my) (-1/2,-y,-y;0,my,-my) (y,-y,1/2;-my,-my,0) (-y,-y,-1/2;my,-my,0) (y,1/2,y;-my,0,my) (y,y,1/2;my,-my,0) (-y,y,-1/2;-my,-my,0) (-y,-1/2,y;my,0,my) (-y,-y,1/2;-my,my,0) (y,-1/2,-y;-my,0,-my) (y,-y,-1/2;my,my,0) (-y,1/2,-y;my,0,-my) 96i (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) (1,y+1,y+1;0,0,0) (1,-y+1,y+1;0,0,0) (1,y+1,-y+1;0,0,0) (y+1,y+1,1;0,0,0) (-y+1,y+1,1;0,0,0) (-y+1,1,y+1;0,0,0) (y+1,1,y+1;0,0,0) (1,-y+1,-y+1;0,0,0) (y+1,1,-y+1;0,0,0) (-y+1,1,-y+1;0,0,0) (y+1,-y+1,1;0,0,0) (-y+1,-y+1,1;0,0,0) 96h (x,1/2,0;0,0,mz) (x,0,1/2;0,-mz,0) (x,0,-1/2;0,mz,0) (0,1/2,-x;mz,0,0) (0,1/2,x;-mz,0,0) (-1/2,x,0;0,0,mz) (1/2,-x,0;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (1/2,x,0;0,0,-mz) (-1/2,-x,0;0,0,-mz) (-x,0,1/2;0,mz,0) (-x,0,-1/2;0,-mz,0) (0,-1/2,x;mz,0,0) (0,-1/2,-x;-mz,0,0) (0,x,1/2;mz,0,0) (1/2,0,x;0,mz,0) (-1/2,0,-x;0,mz,0) (0,-x,1/2;-mz,0,0) (-1/2,0,x;0,-mz,0) (0,-x,-1/2;mz,0,0) (1/2,0,-x;0,-mz,0) (0,x,-1/2;-mz,0,0) 64g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (x+1,x+1,x+1;0,0,0) (x+1,-x+1,x+1;0,0,0) (x+1,x+1,-x+1;0,0,0) (-x+1,x+1,x+1;0,0,0) (x+1,-x+1,-x+1;0,0,0) (-x+1,x+1,-x+1;0,0,0) (-x+1,-x+1,x+1;0,0,0) (-x+1,-x+1,-x+1;0,0,0) 48f (x,1/2,1/2;0,0,0) (x,-1/2,1/2;0,0,0) (-1/2,-1/2,-x;0,0,0) (-1/2,1/2,x;0,0,0) (-1/2,x,1/2;0,0,0) (-1/2,-x,-1/2;0,0,0) (-x,1/2,-1/2;0,0,0) (-x,-1/2,-1/2;0,0,0) (1/2,x,1/2;0,0,0) (1/2,1/2,x;0,0,0) (1/2,-1/2,-x;0,0,0) (1/2,-x,-1/2;0,0,0) 48e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1,1,1;0,0,0) (1,1,-x+1;0,0,0) (1,1,x+1;0,0,0) (1,x+1,1;0,0,0) (1,-x+1,1;0,0,0) (-x+1,1,1;0,0,0) 24d (1/2,0,0;0,0,0) (0,0,-1/2;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (0,-1/2,0;0,0,0) (-1/2,0,0;0,0,0) 24c (0,1/2,1/2;0,0,0) (0,1/2,-1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,-1/2,0;0,0,0) (1/2,0,-1/2;0,0,0) (1/2,0,1/2;0,0,0) 8b (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 384n (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 192m (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x,x,z+1/2;-mx,mx,0) (x+1/2,-z+1/2,x+1/2;-mx,0,mx) (x+1/2,z+1/2,-x+1/2;-mx,0,-mx) (z+1/2,x+1/2,-x+1/2;0,mx,mx) (-z+1/2,x+1/2,x+1/2;0,mx,-mx) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,z+1/2,x+1/2;mx,0,mx) (-x+1/2,-z+1/2,-x+1/2;mx,0,-mx) (z+1/2,-x+1/2,x+1/2;0,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 192l (1/4,y,z;0,my,mz) (1/4,-z,y;0,-mz,my) (1/4,z,-y;0,mz,-my) (z,y,3/4;mz,my,0) (-z,y,1/4;-mz,my,0) (-y,1/4,z;-my,0,mz) (y,3/4,z;my,0,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (y,1/4,-z;my,0,-mz) (-y,3/4,-z;-my,0,-mz) (3/4,z,y;0,mz,my) (3/4,-z,-y;0,-mz,-my) (z,-y,1/4;mz,-my,0) (-z,-y,3/4;-mz,-my,0) (z,1/4,y;mz,0,my) (y,z,1/4;my,mz,0) (-y,z,3/4;-my,mz,0) (-z,3/4,y;-mz,0,my) (-y,-z,1/4;-my,-mz,0) (z,3/4,-y;mz,0,-my) (y,-z,3/4;my,-mz,0) (-z,1/4,-y;-mz,0,-my) (3/4,-y,-z;0,my,mz) (3/4,z,-y;0,-mz,my) (3/4,-z,y;0,mz,-my) (-z,-y,1/4;mz,my,0) (z,-y,3/4;-mz,my,0) (y,3/4,-z;-my,0,mz) (-y,1/4,-z;my,0,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) (-y,3/4,z;my,0,-mz) (y,1/4,z;-my,0,-mz) (1/4,-z,-y;0,mz,my) (1/4,z,y;0,-mz,-my) (-z,y,3/4;mz,-my,0) (z,y,1/4;-mz,-my,0) (-z,3/4,-y;mz,0,my) (-y,-z,3/4;my,mz,0) (y,-z,1/4;-my,mz,0) (z,1/4,-y;-mz,0,my) (y,z,3/4;-my,-mz,0) (-z,1/4,y;mz,0,-my) (-y,z,1/4;my,-mz,0) (z,3/4,y;-mz,0,-my) 192k (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (0,y,z+1/2;-mx,0,0) (1/2,-z+1/2,y+1/2;-mx,0,0) (1/2,z+1/2,-y+1/2;-mx,0,0) (z+1/2,y+1/2,1/2;0,0,mx) (-z+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,z+1/2,y+1/2;mx,0,0) (1/2,-z+1/2,-y+1/2;mx,0,0) (z+1/2,-y+1/2,1/2;0,0,-mx) (-z+1/2,-y+1/2,1/2;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 96j (1/4,y,y;0,my,-my) (1/4,-y,y;0,my,my) (1/4,y,-y;0,-my,-my) (y,y,3/4;-my,my,0) (-y,y,1/4;my,my,0) (-y,1/4,y;-my,0,-my) (y,3/4,y;my,0,-my) (1/4,-y,-y;0,-my,my) (3/4,y,-y;0,my,my) (3/4,-y,y;0,-my,-my) (y,1/4,-y;my,0,my) (-y,3/4,-y;-my,0,my) (3/4,y,y;0,-my,my) (3/4,-y,-y;0,my,-my) (y,-y,1/4;-my,-my,0) (-y,-y,3/4;my,-my,0) (y,1/4,y;-my,0,my) (y,y,1/4;my,-my,0) (-y,y,3/4;-my,-my,0) (-y,3/4,y;my,0,my) (-y,-y,1/4;-my,my,0) (y,3/4,-y;-my,0,-my) (y,-y,3/4;my,my,0) (-y,1/4,-y;my,0,-my) 96i (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) (0,y,y+1/2;0,0,0) (1/2,-y+1/2,y+1/2;0,0,0) (1/2,y+1/2,-y+1/2;0,0,0) (y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,y+1/2;0,0,0) (y+1/2,1/2,y+1/2;0,0,0) (1/2,-y+1/2,-y+1/2;0,0,0) (y+1/2,1/2,-y+1/2;0,0,0) (-y+1/2,1/2,-y+1/2;0,0,0) (y+1/2,-y+1/2,1/2;0,0,0) (-y+1/2,-y+1/2,1/2;0,0,0) 96h (x,1/4,0;0,0,mz) (x,0,1/4;0,-mz,0) (x,0,3/4;0,mz,0) (0,1/4,-x;mz,0,0) (0,1/4,x;-mz,0,0) (3/4,x,0;0,0,mz) (1/4,-x,0;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) (1/4,x,0;0,0,-mz) (3/4,-x,0;0,0,-mz) (-x,0,1/4;0,mz,0) (-x,0,3/4;0,-mz,0) (0,3/4,x;mz,0,0) (0,3/4,-x;-mz,0,0) (0,x,1/4;mz,0,0) (1/4,0,x;0,mz,0) (3/4,0,-x;0,mz,0) (0,-x,1/4;-mz,0,0) (3/4,0,x;0,-mz,0) (0,-x,3/4;mz,0,0) (1/4,0,-x;0,-mz,0) (0,x,3/4;-mz,0,0) 64g (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (x,x,x+1/2;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 48f (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 48e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x,0,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 24d (1/4,0,0;0,0,0) (0,0,3/4;0,0,0) (0,0,1/4;0,0,0) (0,1/4,0;0,0,0) (0,3/4,0;0,0,0) (3/4,0,0;0,0,0) 24c (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (0,0,1/2;0,0,0) ---------- OG: 221.7.1600 P_Fm-3m' UNI: 226.127 Fm-3c.1'_I[Pm-3m] BNS: 226.127 F_Sm-3c OG-BNS transformation: (0,0,0;2a,2b,2c) Operators (OG): (1|0,0,0) (4x|1,1,1) (4x-1|1,1,1) (4y|1,1,1) (4y-1|1,1,1) (4z|1,1,1) (4z-1|1,1,1) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1,1,1) (2-xy|1,1,1) (2yz|1,1,1) (2-yz|1,1,1) (2xz|1,1,1) (2-xz|1,1,1) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1,1,1) (-4x-1|1,1,1) (-4y|1,1,1) (-4y-1|1,1,1) (-4z|1,1,1) (-4z-1|1,1,1) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1,1,1) (m-xy|1,1,1) (myz|1,1,1) (m-yz|1,1,1) (mxz|1,1,1) (m-xz|1,1,1) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1,1,1)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1,1,1)' (2y|1,1,1)' (2z|1,1,1)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|1,1,1)' (3-xyz-1|1,1,1)' (3x-yz|1,1,1)' (3x-yz-1|1,1,1)' (3xy-z|1,1,1)' (3xy-z-1|1,1,1)' (-1|1,1,1)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1,1,1)' (my|1,1,1)' (mz|1,1,1)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|1,1,1)' (-3-xyz-1|1,1,1)' (-3x-yz|1,1,1)' (-3x-yz-1|1,1,1)' (-3xy-z|1,1,1)' (-3xy-z-1|1,1,1)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 384n (x,y,z;mx,my,mz) (x+1,-z+1,y+1;mx,-mz,my) (x+1,z+1,-y+1;mx,mz,-my) (z+1,y+1,-x+1;mz,my,-mx) (-z+1,y+1,x+1;-mz,my,mx) (-y+1,x+1,z+1;-my,mx,mz) (y+1,-x+1,z+1;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1,x+1,-z+1;my,mx,-mz) (-y+1,-x+1,-z+1;-my,-mx,-mz) (-x+1,z+1,y+1;-mx,mz,my) (-x+1,-z+1,-y+1;-mx,-mz,-my) (z+1,-y+1,x+1;mz,-my,mx) (-z+1,-y+1,-x+1;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1,z+1,-y+1;mx,-mz,my) (-x+1,-z+1,y+1;mx,mz,-my) (-z+1,-y+1,x+1;mz,my,-mx) (z+1,-y+1,-x+1;-mz,my,mx) (y+1,-x+1,-z+1;-my,mx,mz) (-y+1,x+1,-z+1;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1,-x+1,z+1;my,mx,-mz) (y+1,x+1,z+1;-my,-mx,-mz) (x+1,-z+1,-y+1;-mx,mz,my) (x+1,z+1,y+1;-mx,-mz,-my) (-z+1,y+1,-x+1;mz,-my,mx) (z+1,y+1,x+1;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1,-y+1,-z+1;-mx,my,mz) (-x+1,y+1,-z+1;mx,-my,mz) (-x+1,-y+1,z+1;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+1,z+1,-x+1;my,-mz,mx) (-z+1,-x+1,y+1;mz,mx,-my) (-y+1,-z+1,x+1;my,mz,-mx) (z+1,-x+1,-y+1;-mz,mx,my) (y+1,-z+1,-x+1;-my,mz,mx) (-z+1,x+1,-y+1;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1,y+1,z+1;-mx,my,mz) (x+1,-y+1,z+1;mx,-my,mz) (x+1,y+1,-z+1;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+1,-z+1,x+1;my,-mz,mx) (z+1,x+1,-y+1;mz,mx,-my) (y+1,z+1,-x+1;my,mz,-mx) (-z+1,x+1,y+1;-mz,mx,my) (-y+1,z+1,x+1;-my,mz,mx) (z+1,-x+1,y+1;mz,-mx,my) 192m (x,x,z;mx,mx,mz) (x+1,-z+1,x+1;mx,-mz,mx) (x+1,z+1,-x+1;mx,mz,-mx) (z+1,x+1,-x+1;mz,mx,-mx) (-z+1,x+1,x+1;-mz,mx,mx) (-x+1,x+1,z+1;-mx,mx,mz) (x+1,-x+1,z+1;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1,x+1,-z+1;mx,mx,-mz) (-x+1,-x+1,-z+1;-mx,-mx,-mz) (-x+1,z+1,x+1;-mx,mz,mx) (-x+1,-z+1,-x+1;-mx,-mz,-mx) (z+1,-x+1,x+1;mz,-mx,mx) (-z+1,-x+1,-x+1;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x+1,z+1,-x+1;mx,-mz,mx) (-x+1,-z+1,x+1;mx,mz,-mx) (-z+1,-x+1,x+1;mz,mx,-mx) (z+1,-x+1,-x+1;-mz,mx,mx) (x+1,-x+1,-z+1;-mx,mx,mz) (-x+1,x+1,-z+1;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1,-x+1,z+1;mx,mx,-mz) (x+1,x+1,z+1;-mx,-mx,-mz) (x+1,-z+1,-x+1;-mx,mz,mx) (x+1,z+1,x+1;-mx,-mz,-mx) (-z+1,x+1,-x+1;mz,-mx,mx) (z+1,x+1,x+1;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x,-z,x;-mx,mz,-mx) (z,x,-x;-mz,-mx,mx) (x,z,-x;-mx,-mz,mx) (-z,x,x;mz,-mx,-mx) (-x,z,x;mx,-mz,-mx) (z,-x,x;-mz,mx,-mx) 192l (1/2,y,z;0,my,mz) (3/2,-z+1,y+1;0,-mz,my) (3/2,z+1,-y+1;0,mz,-my) (z+1,y+1,1/2;mz,my,0) (-z+1,y+1,3/2;-mz,my,0) (-y+1,3/2,z+1;-my,0,mz) (y+1,1/2,z+1;my,0,mz) (1/2,-y,-z;0,-my,-mz) (-1/2,y,-z;0,my,-mz) (-1/2,-y,z;0,-my,mz) (y+1,3/2,-z+1;my,0,-mz) (-y+1,1/2,-z+1;-my,0,-mz) (1/2,z+1,y+1;0,mz,my) (1/2,-z+1,-y+1;0,-mz,-my) (z+1,-y+1,3/2;mz,-my,0) (-z+1,-y+1,1/2;-mz,-my,0) (z,1/2,y;mz,0,my) (y,z,1/2;my,mz,0) (-y,z,-1/2;-my,mz,0) (-z,-1/2,y;-mz,0,my) (-y,-z,1/2;-my,-mz,0) (z,-1/2,-y;mz,0,-my) (y,-z,-1/2;my,-mz,0) (-z,1/2,-y;-mz,0,-my) (-1/2,-y,-z;0,my,mz) (1/2,z+1,-y+1;0,-mz,my) (1/2,-z+1,y+1;0,mz,-my) (-z+1,-y+1,3/2;mz,my,0) (z+1,-y+1,1/2;-mz,my,0) (y+1,1/2,-z+1;-my,0,mz) (-y+1,3/2,-z+1;my,0,mz) (-1/2,y,z;0,-my,-mz) (1/2,-y,z;0,my,-mz) (1/2,y,-z;0,-my,mz) (-y+1,1/2,z+1;my,0,-mz) (y+1,3/2,z+1;-my,0,-mz) (3/2,-z+1,-y+1;0,mz,my) (3/2,z+1,y+1;0,-mz,-my) (-z+1,y+1,1/2;mz,-my,0) (z+1,y+1,3/2;-mz,-my,0) (-z,-1/2,-y;mz,0,my) (-y,-z,-1/2;my,mz,0) (y,-z,1/2;-my,mz,0) (z,1/2,-y;-mz,0,my) (y,z,-1/2;-my,-mz,0) (-z,1/2,y;mz,0,-my) (-y,z,1/2;my,-mz,0) (z,-1/2,y;-mz,0,-my) 192k (0,y,z;mx,0,0) (1,-z+1,y+1;mx,0,0) (1,z+1,-y+1;mx,0,0) (z+1,y+1,1;0,0,-mx) (-z+1,y+1,1;0,0,mx) (-y+1,1,z+1;0,mx,0) (y+1,1,z+1;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1,1,-z+1;0,mx,0) (-y+1,1,-z+1;0,-mx,0) (1,z+1,y+1;-mx,0,0) (1,-z+1,-y+1;-mx,0,0) (z+1,-y+1,1;0,0,mx) (-z+1,-y+1,1;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1,y+1,z+1;-mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (1,-y+1,-z+1;-mx,0,0) (1,y+1,-z+1;mx,0,0) (1,-y+1,z+1;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z+1,1,y+1;0,-mx,0) (y+1,z+1,1;0,0,-mx) (-y+1,z+1,1;0,0,mx) (-z+1,1,y+1;0,mx,0) (-y+1,-z+1,1;0,0,-mx) (z+1,1,-y+1;0,mx,0) (y+1,-z+1,1;0,0,mx) (-z+1,1,-y+1;0,-mx,0) 96j (1/2,y,y;0,my,my) (-1/2,-y,y;0,-my,my) (-1/2,y,-y;0,my,-my) (y,y,1/2;my,my,0) (-y,y,-1/2;-my,my,0) (-y,-1/2,y;-my,0,my) (y,1/2,y;my,0,my) (1/2,-y,-y;0,-my,-my) (y,-1/2,-y;my,0,-my) (-y,1/2,-y;-my,0,-my) (y,-y,-1/2;my,-my,0) (-y,-y,1/2;-my,-my,0) (-1/2,-y,-y;0,my,my) (1/2,y,-y;0,-my,my) (1/2,-y,y;0,my,-my) (-y,-y,-1/2;my,my,0) (y,-y,1/2;-my,my,0) (y,1/2,-y;-my,0,my) (-y,-1/2,-y;my,0,my) (-1/2,y,y;0,-my,-my) (-y,1/2,y;my,0,-my) (y,-1/2,y;-my,0,-my) (-y,y,1/2;my,-my,0) (y,y,-1/2;-my,-my,0) 96i (0,y,y;mx,0,0) (1,-y+1,y+1;mx,0,0) (1,y+1,-y+1;mx,0,0) (y+1,y+1,1;0,0,-mx) (-y+1,y+1,1;0,0,mx) (-y+1,1,y+1;0,mx,0) (y+1,1,y+1;0,-mx,0) (0,-y,-y;mx,0,0) (0,y,-y;-mx,0,0) (0,-y,y;-mx,0,0) (y+1,1,-y+1;0,mx,0) (-y+1,1,-y+1;0,-mx,0) (1,y+1,y+1;-mx,0,0) (1,-y+1,-y+1;-mx,0,0) (y+1,-y+1,1;0,0,mx) (-y+1,-y+1,1;0,0,-mx) (y,0,y;0,mx,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (-y,-y,0;0,0,mx) (y,0,-y;0,-mx,0) (y,-y,0;0,0,-mx) (-y,0,-y;0,mx,0) 96h (x,1/2,0;0,0,mz) (x+1,1,3/2;0,-mz,0) (x+1,1,1/2;0,mz,0) (1,3/2,-x+1;mz,0,0) (1,3/2,x+1;-mz,0,0) (1/2,x+1,1;0,0,mz) (3/2,-x+1,1;0,0,mz) (x,-1/2,0;0,0,-mz) (-x,1/2,0;0,0,-mz) (-x,-1/2,0;0,0,mz) (3/2,x+1,1;0,0,-mz) (1/2,-x+1,1;0,0,-mz) (-x+1,1,3/2;0,mz,0) (-x+1,1,1/2;0,-mz,0) (1,1/2,x+1;mz,0,0) (1,1/2,-x+1;-mz,0,0) (0,x,1/2;mz,0,0) (1/2,0,x;0,mz,0) (-1/2,0,-x;0,mz,0) (0,-x,1/2;-mz,0,0) (-1/2,0,x;0,-mz,0) (0,-x,-1/2;mz,0,0) (1/2,0,-x;0,-mz,0) (0,x,-1/2;-mz,0,0) 64g (x,x,x;mx,mx,mx) (x+1,-x+1,x+1;mx,-mx,mx) (x+1,x+1,-x+1;mx,mx,-mx) (-x+1,x+1,x+1;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1,-x+1,-x+1;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1,x+1,-x+1;mx,-mx,mx) (-x+1,-x+1,x+1;mx,mx,-mx) (x+1,-x+1,-x+1;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) 48f (x,1/2,1/2;mx,0,0) (1/2,-1/2,-x;0,0,-mx) (1/2,1/2,x;0,0,mx) (1/2,x,1/2;0,mx,0) (1/2,-x,-1/2;0,-mx,0) (-x,1/2,-1/2;-mx,0,0) (-x,-1/2,-1/2;mx,0,0) (-1/2,1/2,x;0,0,-mx) (-1/2,-1/2,-x;0,0,mx) (-1/2,-x,-1/2;0,mx,0) (-1/2,x,1/2;0,-mx,0) (x,-1/2,1/2;-mx,0,0) 48e (x,0,0;0,0,0) (x+1,1,1;0,0,0) (1,1,-x+1;0,0,0) (1,1,x+1;0,0,0) (1,x+1,1;0,0,0) (1,-x+1,1;0,0,0) (-x,0,0;0,0,0) (-x+1,1,1;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (1/2,0,0;0,0,0) (-1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,0,-1/2;0,0,0) (0,-1/2,0;0,0,0) (0,1/2,0;0,0,0) 24c (0,1/2,1/2;mx,0,0) (1/2,-1/2,0;0,0,-mx) (1/2,1/2,0;0,0,mx) (1/2,0,1/2;0,mx,0) (1/2,0,-1/2;0,-mx,0) (0,1/2,-1/2;-mx,0,0) 8b (1/2,1/2,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 8a (0,0,0;0,0,0) (1,1,1;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 384n (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 192m (x,x,z;mx,mx,mz) (x+1/2,-z+1/2,x+1/2;mx,-mz,mx) (x+1/2,z+1/2,-x+1/2;mx,mz,-mx) (z+1/2,x+1/2,-x+1/2;mz,mx,-mx) (-z+1/2,x+1/2,x+1/2;-mz,mx,mx) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x+1/2,z+1/2,x+1/2;-mx,mz,mx) (-x+1/2,-z+1/2,-x+1/2;-mx,-mz,-mx) (z+1/2,-x+1/2,x+1/2;mz,-mx,mx) (-z+1/2,-x+1/2,-x+1/2;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x,-z,x;-mx,mz,-mx) (z,x,-x;-mz,-mx,mx) (x,z,-x;-mx,-mz,mx) (-z,x,x;mz,-mx,-mx) (-x,z,x;mx,-mz,-mx) (z,-x,x;-mz,mx,-mx) 192l (1/4,y,z;0,my,mz) (3/4,-z+1/2,y+1/2;0,-mz,my) (3/4,z+1/2,-y+1/2;0,mz,-my) (z+1/2,y+1/2,1/4;mz,my,0) (-z+1/2,y+1/2,3/4;-mz,my,0) (-y+1/2,3/4,z+1/2;-my,0,mz) (y+1/2,1/4,z+1/2;my,0,mz) (1/4,-y,-z;0,-my,-mz) (3/4,y,-z;0,my,-mz) (3/4,-y,z;0,-my,mz) (y+1/2,3/4,-z+1/2;my,0,-mz) (-y+1/2,1/4,-z+1/2;-my,0,-mz) (1/4,z+1/2,y+1/2;0,mz,my) (1/4,-z+1/2,-y+1/2;0,-mz,-my) (z+1/2,-y+1/2,3/4;mz,-my,0) (-z+1/2,-y+1/2,1/4;-mz,-my,0) (z,1/4,y;mz,0,my) (y,z,1/4;my,mz,0) (-y,z,3/4;-my,mz,0) (-z,3/4,y;-mz,0,my) (-y,-z,1/4;-my,-mz,0) (z,3/4,-y;mz,0,-my) (y,-z,3/4;my,-mz,0) (-z,1/4,-y;-mz,0,-my) (3/4,-y,-z;0,my,mz) (1/4,z+1/2,-y+1/2;0,-mz,my) (1/4,-z+1/2,y+1/2;0,mz,-my) (-z+1/2,-y+1/2,3/4;mz,my,0) (z+1/2,-y+1/2,1/4;-mz,my,0) (y+1/2,1/4,-z+1/2;-my,0,mz) (-y+1/2,3/4,-z+1/2;my,0,mz) (3/4,y,z;0,-my,-mz) (1/4,-y,z;0,my,-mz) (1/4,y,-z;0,-my,mz) (-y+1/2,1/4,z+1/2;my,0,-mz) (y+1/2,3/4,z+1/2;-my,0,-mz) (3/4,-z+1/2,-y+1/2;0,mz,my) (3/4,z+1/2,y+1/2;0,-mz,-my) (-z+1/2,y+1/2,1/4;mz,-my,0) (z+1/2,y+1/2,3/4;-mz,-my,0) (-z,3/4,-y;mz,0,my) (-y,-z,3/4;my,mz,0) (y,-z,1/4;-my,mz,0) (z,1/4,-y;-mz,0,my) (y,z,3/4;-my,-mz,0) (-z,1/4,y;mz,0,-my) (-y,z,1/4;my,-mz,0) (z,3/4,y;-mz,0,-my) 192k (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;mx,0,0) (1/2,z+1/2,-y+1/2;mx,0,0) (z+1/2,y+1/2,1/2;0,0,-mx) (-z+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,z+1/2,y+1/2;-mx,0,0) (1/2,-z+1/2,-y+1/2;-mx,0,0) (z+1/2,-y+1/2,1/2;0,0,mx) (-z+1/2,-y+1/2,1/2;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (0,y,z+1/2;-mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 96j (1/4,y,y;0,my,my) (3/4,-y,y;0,-my,my) (3/4,y,-y;0,my,-my) (y,y,1/4;my,my,0) (-y,y,3/4;-my,my,0) (-y,3/4,y;-my,0,my) (y,1/4,y;my,0,my) (1/4,-y,-y;0,-my,-my) (y,3/4,-y;my,0,-my) (-y,1/4,-y;-my,0,-my) (y,-y,3/4;my,-my,0) (-y,-y,1/4;-my,-my,0) (3/4,-y,-y;0,my,my) (1/4,y,-y;0,-my,my) (1/4,-y,y;0,my,-my) (-y,-y,3/4;my,my,0) (y,-y,1/4;-my,my,0) (y,1/4,-y;-my,0,my) (-y,3/4,-y;my,0,my) (3/4,y,y;0,-my,-my) (-y,1/4,y;my,0,-my) (y,3/4,y;-my,0,-my) (-y,y,1/4;my,-my,0) (y,y,3/4;-my,-my,0) 96i (0,y,y;mx,0,0) (1/2,-y+1/2,y+1/2;mx,0,0) (1/2,y+1/2,-y+1/2;mx,0,0) (y+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,y+1/2;0,mx,0) (y+1/2,1/2,y+1/2;0,-mx,0) (0,-y,-y;mx,0,0) (0,y,-y;-mx,0,0) (0,-y,y;-mx,0,0) (y+1/2,1/2,-y+1/2;0,mx,0) (-y+1/2,1/2,-y+1/2;0,-mx,0) (1/2,y+1/2,y+1/2;-mx,0,0) (1/2,-y+1/2,-y+1/2;-mx,0,0) (y+1/2,-y+1/2,1/2;0,0,mx) (-y+1/2,-y+1/2,1/2;0,0,-mx) (y,0,y;0,mx,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (-y,-y,0;0,0,mx) (y,0,-y;0,-mx,0) (y,-y,0;0,0,-mx) (-y,0,-y;0,mx,0) 96h (x,1/4,0;0,0,mz) (x+1/2,1/2,3/4;0,-mz,0) (x+1/2,1/2,1/4;0,mz,0) (1/2,3/4,-x+1/2;mz,0,0) (1/2,3/4,x+1/2;-mz,0,0) (1/4,x+1/2,1/2;0,0,mz) (3/4,-x+1/2,1/2;0,0,mz) (x,3/4,0;0,0,-mz) (-x,1/4,0;0,0,-mz) (-x,3/4,0;0,0,mz) (3/4,x+1/2,1/2;0,0,-mz) (1/4,-x+1/2,1/2;0,0,-mz) (-x+1/2,1/2,3/4;0,mz,0) (-x+1/2,1/2,1/4;0,-mz,0) (1/2,1/4,x+1/2;mz,0,0) (1/2,1/4,-x+1/2;-mz,0,0) (0,x,1/4;mz,0,0) (1/4,0,x;0,mz,0) (3/4,0,-x;0,mz,0) (0,-x,1/4;-mz,0,0) (3/4,0,x;0,-mz,0) (0,-x,3/4;mz,0,0) (1/4,0,-x;0,-mz,0) (0,x,3/4;-mz,0,0) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 48f (x,1/4,1/4;mx,0,0) (1/4,3/4,-x;0,0,-mx) (1/4,1/4,x;0,0,mx) (1/4,x,1/4;0,mx,0) (1/4,-x,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,1/4,x;0,0,-mx) (3/4,3/4,-x;0,0,mx) (3/4,-x,3/4;0,mx,0) (3/4,x,1/4;0,-mx,0) (x,3/4,1/4;-mx,0,0) 48e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) 24c (0,1/4,1/4;mx,0,0) (1/4,3/4,0;0,0,-mx) (1/4,1/4,0;0,0,mx) (1/4,0,1/4;0,mx,0) (1/4,0,3/4;0,-mx,0) (0,1/4,3/4;-mx,0,0) 8b (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 8a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 222.1.1601 Pn-3n UNI: 222.98 Pn-3n.1 BNS: 222.98 Pn-3n Operators: (1|0,0,0) (4x|0,1/2,0) (4x-1|0,0,1/2) (4y|0,0,1/2) (4y-1|1/2,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,0,0) (2-yz|1/2,1/2,1/2) (2xz|0,1/2,0) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|0,1/2,0) (-4x-1|0,0,1/2) (-4y|0,0,1/2) (-4y-1|1/2,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,0,0) (m-yz|1/2,1/2,1/2) (mxz|0,1/2,0) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x,-z+1/2,y;mx,-mz,my) (x,z,-y+1/2;mx,mz,-my) (z,y,-x+1/2;mz,my,-mx) (-z+1/2,y,x;-mz,my,mx) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z,y;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z,-y+1/2,x;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z+1/2,-y;mx,-mz,my) (-x,-z,y+1/2;mx,mz,-my) (-z,-y,x+1/2;mz,my,-mx) (z+1/2,-y,-x;-mz,my,mx) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z,-y;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z,y+1/2,-x;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) 24h (1/4,y,y;0,my,my) (1/4,-y+1/2,y;0,-my,my) (1/4,y,-y+1/2;0,my,-my) (y,y,1/4;my,my,0) (-y+1/2,y,1/4;-my,my,0) (-y+1/2,1/4,y;-my,0,my) (y,1/4,y;my,0,my) (1/4,-y+1/2,-y+1/2;0,-my,-my) (y,1/4,-y+1/2;my,0,-my) (-y+1/2,1/4,-y+1/2;-my,0,-my) (y,-y+1/2,1/4;my,-my,0) (-y+1/2,-y+1/2,1/4;-my,-my,0) (3/4,-y,-y;0,my,my) (3/4,y+1/2,-y;0,-my,my) (3/4,-y,y+1/2;0,my,-my) (-y,-y,3/4;my,my,0) (y+1/2,-y,3/4;-my,my,0) (y+1/2,3/4,-y;-my,0,my) (-y,3/4,-y;my,0,my) (3/4,y+1/2,y+1/2;0,-my,-my) (-y,3/4,y+1/2;my,0,-my) (y+1/2,3/4,y+1/2;-my,0,-my) (-y,y+1/2,3/4;my,-my,0) (y+1/2,y+1/2,3/4;-my,-my,0) 24g (x,3/4,1/4;mx,0,0) (x,1/4,3/4;mx,0,0) (1/4,3/4,-x+1/2;0,0,-mx) (1/4,3/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,1/4,x+1/2;0,0,-mx) (3/4,1/4,-x;0,0,mx) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,x;mx,-mx,mx) (x,x,-x+1/2;mx,mx,-mx) (-x+1/2,x,x;-mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,-x;mx,-mx,mx) (-x,-x,x+1/2;mx,mx,-mx) (x+1/2,-x,-x;-mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,1/4,1/4;mx,0,0) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,1/4,x;0,0,mx) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,3/4,x+1/2;0,0,-mx) (3/4,3/4,-x;0,0,mx) (3/4,-x,3/4;0,mx,0) (3/4,x+1/2,3/4;0,-mx,0) (x+1/2,3/4,3/4;-mx,0,0) 12d (0,3/4,1/4;mx,0,0) (0,1/4,3/4;mx,0,0) (1/4,3/4,1/2;0,0,-mx) (1/4,3/4,0;0,0,mx) (3/4,0,1/4;0,mx,0) (3/4,1/2,1/4;0,-mx,0) (1/2,3/4,1/4;-mx,0,0) (1/2,1/4,3/4;-mx,0,0) (1/4,0,3/4;0,mx,0) (3/4,1/4,0;0,0,mx) (3/4,1/4,1/2;0,0,-mx) (1/4,1/2,3/4;0,-mx,0) 8c (0,0,0;mx,mx,mx) (0,1/2,0;mx,-mx,mx) (0,0,1/2;mx,mx,-mx) (1/2,0,0;-mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1/2,1/2,1/2;-mx,-mx,-mx) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 222.2.1602 Pn-3n1' UNI: 222.99 Pn-3n.1' BNS: 222.99 Pn-3n1' Operators: (1|0,0,0) (4x|0,1/2,0) (4x-1|0,0,1/2) (4y|0,0,1/2) (4y-1|1/2,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,0,0) (2-yz|1/2,1/2,1/2) (2xz|0,1/2,0) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|0,1/2,0) (-4x-1|0,0,1/2) (-4y|0,0,1/2) (-4y-1|1/2,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,0,0) (m-yz|1/2,1/2,1/2) (mxz|0,1/2,0) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|0,0,0)' (4x|0,1/2,0)' (4x-1|0,0,1/2)' (4y|0,0,1/2)' (4y-1|1/2,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,0,0)' (2-yz|1/2,1/2,1/2)' (2xz|0,1/2,0)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,1/2)' (3-xyz-1|1/2,1/2,0)' (3x-yz|1/2,1/2,0)' (3x-yz-1|0,1/2,1/2)' (3xy-z|0,1/2,1/2)' (3xy-z-1|1/2,0,1/2)' (-1|0,0,0)' (-4x|0,1/2,0)' (-4x-1|0,0,1/2)' (-4y|0,0,1/2)' (-4y-1|1/2,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,0,0)' (m-yz|1/2,1/2,1/2)' (mxz|0,1/2,0)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;0,0,0) (x,-z+1/2,y;0,0,0) (x,z,-y+1/2;0,0,0) (z,y,-x+1/2;0,0,0) (-z+1/2,y,x;0,0,0) (-y+1/2,x,z;0,0,0) (y,-x+1/2,z;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y,x,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,z,y;0,0,0) (-x+1/2,-z+1/2,-y+1/2;0,0,0) (z,-y+1/2,x;0,0,0) (-z+1/2,-y+1/2,-x+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x+1/2;0,0,0) (-z+1/2,-x+1/2,y;0,0,0) (-y+1/2,-z+1/2,x;0,0,0) (z,-x+1/2,-y+1/2;0,0,0) (y,-z+1/2,-x+1/2;0,0,0) (-z+1/2,x,-y+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x,z+1/2,-y;0,0,0) (-x,-z,y+1/2;0,0,0) (-z,-y,x+1/2;0,0,0) (z+1/2,-y,-x;0,0,0) (y+1/2,-x,-z;0,0,0) (-y,x+1/2,-z;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y,-x,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z,-y;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z,y+1/2,-x;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/2,-z,x+1/2;0,0,0) (z+1/2,x+1/2,-y;0,0,0) (y+1/2,z+1/2,-x;0,0,0) (-z,x+1/2,y+1/2;0,0,0) (-y,z+1/2,x+1/2;0,0,0) (z+1/2,-x,y+1/2;0,0,0) 24h (1/4,y,y;0,0,0) (1/4,-y+1/2,y;0,0,0) (1/4,y,-y+1/2;0,0,0) (y,y,1/4;0,0,0) (-y+1/2,y,1/4;0,0,0) (-y+1/2,1/4,y;0,0,0) (y,1/4,y;0,0,0) (1/4,-y+1/2,-y+1/2;0,0,0) (y,1/4,-y+1/2;0,0,0) (-y+1/2,1/4,-y+1/2;0,0,0) (y,-y+1/2,1/4;0,0,0) (-y+1/2,-y+1/2,1/4;0,0,0) (3/4,-y,-y;0,0,0) (3/4,y+1/2,-y;0,0,0) (3/4,-y,y+1/2;0,0,0) (-y,-y,3/4;0,0,0) (y+1/2,-y,3/4;0,0,0) (y+1/2,3/4,-y;0,0,0) (-y,3/4,-y;0,0,0) (3/4,y+1/2,y+1/2;0,0,0) (-y,3/4,y+1/2;0,0,0) (y+1/2,3/4,y+1/2;0,0,0) (-y,y+1/2,3/4;0,0,0) (y+1/2,y+1/2,3/4;0,0,0) 24g (x,3/4,1/4;0,0,0) (x,1/4,3/4;0,0,0) (1/4,3/4,-x+1/2;0,0,0) (1/4,3/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x+1/2,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (1/4,x,3/4;0,0,0) (3/4,1/4,x;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,1/4;0,0,0) (3/4,1/4,x+1/2;0,0,0) (3/4,1/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) (1/4,x+1/2,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) (x+1/2,3/4,1/4;0,0,0) (3/4,-x,1/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,1/4;0,0,0) 16f (x,x,x;0,0,0) (x,-x+1/2,x;0,0,0) (x,x,-x+1/2;0,0,0) (-x+1/2,x,x;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,-x,-x;0,0,0) (-x,x+1/2,-x;0,0,0) (-x,-x,x+1/2;0,0,0) (x+1/2,-x,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 12e (x,1/4,1/4;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 12d (0,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/2,3/4;0,0,0) 8c (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 222.3.1603 Pn'-3'n UNI: 222.100 Pn'-3'n BNS: 222.100 Pn'-3'n Operators: (1|0,0,0) (4x|0,1/2,0)' (4x-1|0,0,1/2)' (4y|0,0,1/2)' (4y-1|1/2,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,0,0)' (2-yz|1/2,1/2,1/2)' (2xz|0,1/2,0)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0)' (-4x|0,1/2,0) (-4x-1|0,0,1/2) (-4y|0,0,1/2) (-4y-1|1/2,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,0,0) (m-yz|1/2,1/2,1/2) (mxz|0,1/2,0) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x,-z+1/2,y;-mx,mz,-my) (x,z,-y+1/2;-mx,-mz,my) (z,y,-x+1/2;-mz,-my,mx) (-z+1/2,y,x;mz,-my,-mx) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z,y;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z,-y+1/2,x;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z+1/2,-y;mx,-mz,my) (-x,-z,y+1/2;mx,mz,-my) (-z,-y,x+1/2;mz,my,-mx) (z+1/2,-y,-x;-mz,my,mx) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z,-y;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z,y+1/2,-x;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y;mz,mx,-my) (y+1/2,z+1/2,-x;my,mz,-mx) (-z,x+1/2,y+1/2;-mz,mx,my) (-y,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x,y+1/2;mz,-mx,my) 24h (1/4,y,y;mx,my,-my) (1/4,-y+1/2,y;-mx,-my,-my) (1/4,y,-y+1/2;-mx,my,my) (y,y,1/4;my,-my,mx) (-y+1/2,y,1/4;-my,-my,-mx) (-y+1/2,1/4,y;my,-mx,my) (y,1/4,y;-my,mx,my) (1/4,-y+1/2,-y+1/2;mx,-my,my) (y,1/4,-y+1/2;-my,-mx,-my) (-y+1/2,1/4,-y+1/2;my,mx,-my) (y,-y+1/2,1/4;my,my,-mx) (-y+1/2,-y+1/2,1/4;-my,my,mx) (3/4,-y,-y;-mx,-my,my) (3/4,y+1/2,-y;mx,my,my) (3/4,-y,y+1/2;mx,-my,-my) (-y,-y,3/4;-my,my,-mx) (y+1/2,-y,3/4;my,my,mx) (y+1/2,3/4,-y;-my,mx,-my) (-y,3/4,-y;my,-mx,-my) (3/4,y+1/2,y+1/2;-mx,my,-my) (-y,3/4,y+1/2;my,mx,my) (y+1/2,3/4,y+1/2;-my,-mx,my) (-y,y+1/2,3/4;-my,-my,mx) (y+1/2,y+1/2,3/4;my,-my,-mx) 24g (x,3/4,1/4;mx,0,0) (x,1/4,3/4;-mx,0,0) (1/4,3/4,-x+1/2;0,0,mx) (1/4,3/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) (3/4,-x+1/2,1/4;0,mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,1/4,x+1/2;0,0,-mx) (3/4,1/4,-x;0,0,mx) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,3/4;mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (3/4,-x,1/4;0,-mx,0) (1/4,3/4,-x;0,0,-mx) (1/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,1/4;0,mx,0) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,x;-mx,mx,-mx) (x,x,-x+1/2;-mx,-mx,mx) (-x+1/2,x,x;mx,-mx,-mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x+1/2,-x;mx,-mx,mx) (-x,-x,x+1/2;mx,mx,-mx) (x+1/2,-x,-x;-mx,mx,mx) (-x,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,1/4,1/4;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 12d (0,3/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,3/4,1/2;0,0,mx) (1/4,3/4,0;0,0,-mx) (3/4,0,1/4;0,-mx,0) (3/4,1/2,1/4;0,mx,0) (1/2,3/4,1/4;-mx,0,0) (1/2,1/4,3/4;mx,0,0) (1/4,0,3/4;0,mx,0) (3/4,1/4,0;0,0,mx) (3/4,1/4,1/2;0,0,-mx) (1/4,1/2,3/4;0,-mx,0) 8c (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 222.4.1604 Pn-3n' UNI: 222.101 Pn-3n' BNS: 222.101 Pn-3n' Operators: (1|0,0,0) (4x|0,1/2,0)' (4x-1|0,0,1/2)' (4y|0,0,1/2)' (4y-1|1/2,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,0,0)' (2-yz|1/2,1/2,1/2)' (2xz|0,1/2,0)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|0,1/2,0)' (-4x-1|0,0,1/2)' (-4y|0,0,1/2)' (-4y-1|1/2,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,0,0)' (m-yz|1/2,1/2,1/2)' (mxz|0,1/2,0)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x,-z+1/2,y;-mx,mz,-my) (x,z,-y+1/2;-mx,-mz,my) (z,y,-x+1/2;-mz,-my,mx) (-z+1/2,y,x;mz,-my,-mx) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z,y;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z,-y+1/2,x;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z+1/2,-y;-mx,mz,-my) (-x,-z,y+1/2;-mx,-mz,my) (-z,-y,x+1/2;-mz,-my,mx) (z+1/2,-y,-x;mz,-my,-mx) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z,-y;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z,y+1/2,-x;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) 24h (1/4,y,y;mx,my,-my) (1/4,-y+1/2,y;-mx,-my,-my) (1/4,y,-y+1/2;-mx,my,my) (y,y,1/4;my,-my,mx) (-y+1/2,y,1/4;-my,-my,-mx) (-y+1/2,1/4,y;my,-mx,my) (y,1/4,y;-my,mx,my) (1/4,-y+1/2,-y+1/2;mx,-my,my) (y,1/4,-y+1/2;-my,-mx,-my) (-y+1/2,1/4,-y+1/2;my,mx,-my) (y,-y+1/2,1/4;my,my,-mx) (-y+1/2,-y+1/2,1/4;-my,my,mx) (3/4,-y,-y;mx,my,-my) (3/4,y+1/2,-y;-mx,-my,-my) (3/4,-y,y+1/2;-mx,my,my) (-y,-y,3/4;my,-my,mx) (y+1/2,-y,3/4;-my,-my,-mx) (y+1/2,3/4,-y;my,-mx,my) (-y,3/4,-y;-my,mx,my) (3/4,y+1/2,y+1/2;mx,-my,my) (-y,3/4,y+1/2;-my,-mx,-my) (y+1/2,3/4,y+1/2;my,mx,-my) (-y,y+1/2,3/4;my,my,-mx) (y+1/2,y+1/2,3/4;-my,my,mx) 24g (x,3/4,1/4;mx,0,0) (x,1/4,3/4;-mx,0,0) (1/4,3/4,-x+1/2;0,0,mx) (1/4,3/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) (3/4,-x+1/2,1/4;0,mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (-x,3/4,1/4;-mx,0,0) (3/4,1/4,x+1/2;0,0,mx) (3/4,1/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (1/4,x+1/2,3/4;0,mx,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,x;-mx,mx,-mx) (x,x,-x+1/2;-mx,-mx,mx) (-x+1/2,x,x;mx,-mx,-mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,-x;-mx,mx,-mx) (-x,-x,x+1/2;-mx,-mx,mx) (x+1/2,-x,-x;mx,-mx,-mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 12e (x,1/4,1/4;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 12d (0,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/2,3/4;0,0,0) 8c (0,0,0;mx,mx,mx) (0,1/2,0;-mx,mx,-mx) (0,0,1/2;-mx,-mx,mx) (1/2,0,0;mx,-mx,-mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1/2,1/2,1/2;mx,mx,mx) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 222.5.1605 Pn'-3'n' UNI: 222.102 Pn'-3'n' BNS: 222.102 Pn'-3'n' Operators: (1|0,0,0) (4x|0,1/2,0) (4x-1|0,0,1/2) (4y|0,0,1/2) (4y-1|1/2,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,0,0) (2-yz|1/2,1/2,1/2) (2xz|0,1/2,0) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0)' (-4x|0,1/2,0)' (-4x-1|0,0,1/2)' (-4y|0,0,1/2)' (-4y-1|1/2,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,0,0)' (m-yz|1/2,1/2,1/2)' (mxz|0,1/2,0)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48i (x,y,z;mx,my,mz) (x,-z+1/2,y;mx,-mz,my) (x,z,-y+1/2;mx,mz,-my) (z,y,-x+1/2;mz,my,-mx) (-z+1/2,y,x;-mz,my,mx) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z,y;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z,-y+1/2,x;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z+1/2,-y;-mx,mz,-my) (-x,-z,y+1/2;-mx,-mz,my) (-z,-y,x+1/2;-mz,-my,mx) (z+1/2,-y,-x;mz,-my,-mx) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z,-y;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z,y+1/2,-x;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y;mz,mx,-my) (y+1/2,z+1/2,-x;my,mz,-mx) (-z,x+1/2,y+1/2;-mz,mx,my) (-y,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x,y+1/2;mz,-mx,my) 24h (1/4,y,y;0,my,my) (1/4,-y+1/2,y;0,-my,my) (1/4,y,-y+1/2;0,my,-my) (y,y,1/4;my,my,0) (-y+1/2,y,1/4;-my,my,0) (-y+1/2,1/4,y;-my,0,my) (y,1/4,y;my,0,my) (1/4,-y+1/2,-y+1/2;0,-my,-my) (y,1/4,-y+1/2;my,0,-my) (-y+1/2,1/4,-y+1/2;-my,0,-my) (y,-y+1/2,1/4;my,-my,0) (-y+1/2,-y+1/2,1/4;-my,-my,0) (3/4,-y,-y;0,-my,-my) (3/4,y+1/2,-y;0,my,-my) (3/4,-y,y+1/2;0,-my,my) (-y,-y,3/4;-my,-my,0) (y+1/2,-y,3/4;my,-my,0) (y+1/2,3/4,-y;my,0,-my) (-y,3/4,-y;-my,0,-my) (3/4,y+1/2,y+1/2;0,my,my) (-y,3/4,y+1/2;-my,0,my) (y+1/2,3/4,y+1/2;my,0,my) (-y,y+1/2,3/4;-my,my,0) (y+1/2,y+1/2,3/4;my,my,0) 24g (x,3/4,1/4;mx,0,0) (x,1/4,3/4;mx,0,0) (1/4,3/4,-x+1/2;0,0,-mx) (1/4,3/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (3/4,1/4,x+1/2;0,0,mx) (3/4,1/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) (1/4,x+1/2,3/4;0,mx,0) (x+1/2,1/4,3/4;mx,0,0) (x+1/2,3/4,1/4;mx,0,0) (3/4,-x,1/4;0,-mx,0) (1/4,3/4,-x;0,0,-mx) (1/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,1/4;0,mx,0) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,x;mx,-mx,mx) (x,x,-x+1/2;mx,mx,-mx) (-x+1/2,x,x;-mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x,x+1/2,-x;-mx,mx,-mx) (-x,-x,x+1/2;-mx,-mx,mx) (x+1/2,-x,-x;mx,-mx,-mx) (-x,x+1/2,x+1/2;-mx,mx,mx) (x+1/2,-x,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 12e (x,1/4,1/4;mx,0,0) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,1/4,x;0,0,mx) (1/4,x,1/4;0,mx,0) (1/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,3/4,x+1/2;0,0,mx) (3/4,3/4,-x;0,0,-mx) (3/4,-x,3/4;0,-mx,0) (3/4,x+1/2,3/4;0,mx,0) (x+1/2,3/4,3/4;mx,0,0) 12d (0,3/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/4,0,3/4;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/2,3/4;0,0,0) 8c (0,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,1/2,1/2;0,0,0) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 223.1.1606 Pm-3n UNI: 223.104 Pm-3n.1 BNS: 223.104 Pm-3n Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 24k (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;mx,0,0) (1/2,z+1/2,-y+1/2;mx,0,0) (z+1/2,y+1/2,1/2;0,0,-mx) (-z+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,z+1/2,y+1/2;-mx,0,0) (1/2,-z+1/2,-y+1/2;-mx,0,0) (z+1/2,-y+1/2,1/2;0,0,mx) (-z+1/2,-y+1/2,1/2;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 24j (1/4,y,y+1/2;0,my,my) (3/4,-y,y+1/2;0,-my,my) (3/4,y,-y+1/2;0,my,-my) (y,y+1/2,1/4;my,my,0) (-y,y+1/2,3/4;-my,my,0) (-y+1/2,3/4,y;-my,0,my) (y+1/2,1/4,y;my,0,my) (1/4,-y,-y+1/2;0,-my,-my) (y+1/2,3/4,-y;my,0,-my) (-y+1/2,1/4,-y;-my,0,-my) (y,-y+1/2,3/4;my,-my,0) (-y,-y+1/2,1/4;-my,-my,0) (3/4,-y,-y+1/2;0,my,my) (1/4,y,-y+1/2;0,-my,my) (1/4,-y,y+1/2;0,my,-my) (-y,-y+1/2,3/4;my,my,0) (y,-y+1/2,1/4;-my,my,0) (y+1/2,1/4,-y;-my,0,my) (-y+1/2,3/4,-y;my,0,my) (3/4,y,y+1/2;0,-my,-my) (-y+1/2,1/4,y;my,0,-my) (y+1/2,3/4,y;-my,0,-my) (-y,y+1/2,1/4;my,-my,0) (y,y+1/2,3/4;-my,-my,0) 16i (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12h (x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (1/2,0,-x+1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 12g (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12f (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6c (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 223.2.1607 Pm-3n1' UNI: 223.105 Pm-3n.1' BNS: 223.105 Pm-3n1' Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;0,0,0) (x+1/2,-z+1/2,y+1/2;0,0,0) (x+1/2,z+1/2,-y+1/2;0,0,0) (z+1/2,y+1/2,-x+1/2;0,0,0) (-z+1/2,y+1/2,x+1/2;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,z+1/2,y+1/2;0,0,0) (-x+1/2,-z+1/2,-y+1/2;0,0,0) (z+1/2,-y+1/2,x+1/2;0,0,0) (-z+1/2,-y+1/2,-x+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,z+1/2,-y+1/2;0,0,0) (-x+1/2,-z+1/2,y+1/2;0,0,0) (-z+1/2,-y+1/2,x+1/2;0,0,0) (z+1/2,-y+1/2,-x+1/2;0,0,0) (y+1/2,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x+1/2,-z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z+1/2,-y+1/2;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z+1/2,y+1/2,-x+1/2;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 24k (0,y,z;0,0,0) (1/2,-z+1/2,y+1/2;0,0,0) (1/2,z+1/2,-y+1/2;0,0,0) (z+1/2,y+1/2,1/2;0,0,0) (-z+1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,z+1/2;0,0,0) (y+1/2,1/2,z+1/2;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y+1/2,1/2,-z+1/2;0,0,0) (-y+1/2,1/2,-z+1/2;0,0,0) (1/2,z+1/2,y+1/2;0,0,0) (1/2,-z+1/2,-y+1/2;0,0,0) (z+1/2,-y+1/2,1/2;0,0,0) (-z+1/2,-y+1/2,1/2;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 24j (1/4,y,y+1/2;0,0,0) (3/4,-y,y+1/2;0,0,0) (3/4,y,-y+1/2;0,0,0) (y,y+1/2,1/4;0,0,0) (-y,y+1/2,3/4;0,0,0) (-y+1/2,3/4,y;0,0,0) (y+1/2,1/4,y;0,0,0) (1/4,-y,-y+1/2;0,0,0) (y+1/2,3/4,-y;0,0,0) (-y+1/2,1/4,-y;0,0,0) (y,-y+1/2,3/4;0,0,0) (-y,-y+1/2,1/4;0,0,0) (3/4,-y,-y+1/2;0,0,0) (1/4,y,-y+1/2;0,0,0) (1/4,-y,y+1/2;0,0,0) (-y,-y+1/2,3/4;0,0,0) (y,-y+1/2,1/4;0,0,0) (y+1/2,1/4,-y;0,0,0) (-y+1/2,3/4,-y;0,0,0) (3/4,y,y+1/2;0,0,0) (-y+1/2,1/4,y;0,0,0) (y+1/2,3/4,y;0,0,0) (-y,y+1/2,1/4;0,0,0) (y,y+1/2,3/4;0,0,0) 16i (x,x,x;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,-x,-x;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 12h (x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (1/2,0,-x+1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 12g (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12f (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6c (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 223.3.1608 Pm'-3'n UNI: 223.106 Pm'-3'n BNS: 223.106 Pm'-3'n Operators: (1|0,0,0) (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24k (0,y,z;0,my,mz) (1/2,-z+1/2,y+1/2;0,mz,-my) (1/2,z+1/2,-y+1/2;0,-mz,my) (z+1/2,y+1/2,1/2;-mz,-my,0) (-z+1/2,y+1/2,1/2;mz,-my,0) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,z+1/2,y+1/2;0,-mz,-my) (1/2,-z+1/2,-y+1/2;0,mz,my) (z+1/2,-y+1/2,1/2;-mz,my,0) (-z+1/2,-y+1/2,1/2;mz,my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 24j (1/4,y,y+1/2;mx,my,-my) (3/4,-y,y+1/2;-mx,-my,-my) (3/4,y,-y+1/2;-mx,my,my) (y,y+1/2,1/4;my,-my,mx) (-y,y+1/2,3/4;-my,-my,-mx) (-y+1/2,3/4,y;my,-mx,my) (y+1/2,1/4,y;-my,mx,my) (1/4,-y,-y+1/2;mx,-my,my) (y+1/2,3/4,-y;-my,-mx,-my) (-y+1/2,1/4,-y;my,mx,-my) (y,-y+1/2,3/4;my,my,-mx) (-y,-y+1/2,1/4;-my,my,mx) (3/4,-y,-y+1/2;-mx,-my,my) (1/4,y,-y+1/2;mx,my,my) (1/4,-y,y+1/2;mx,-my,-my) (-y,-y+1/2,3/4;-my,my,-mx) (y,-y+1/2,1/4;my,my,mx) (y+1/2,1/4,-y;-my,mx,-my) (-y+1/2,3/4,-y;my,-mx,-my) (3/4,y,y+1/2;-mx,my,-my) (-y+1/2,1/4,y;my,mx,my) (y+1/2,3/4,y;-my,-mx,my) (-y,y+1/2,1/4;-my,-my,mx) (y,y+1/2,3/4;my,-my,-mx) 16i (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12h (x,1/2,0;mx,0,0) (x+1/2,1/2,0;-mx,0,0) (1/2,0,-x+1/2;0,0,mx) (1/2,0,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) (0,-x+1/2,1/2;0,mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 12g (x,0,1/2;mx,0,0) (x+1/2,0,1/2;-mx,0,0) (0,1/2,-x+1/2;0,0,mx) (0,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,0;0,-mx,0) (1/2,-x+1/2,0;0,mx,0) (-x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 12f (x,0,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8e (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) (3/4,3/4,3/4;-mx,-mx,-mx) (1/4,3/4,1/4;mx,-mx,mx) (1/4,1/4,3/4;mx,mx,-mx) (3/4,1/4,1/4;-mx,mx,mx) 6d (1/4,1/2,0;mx,0,0) (3/4,1/2,0;-mx,0,0) (1/2,0,1/4;0,0,mx) (1/2,0,3/4;0,0,-mx) (0,3/4,1/2;0,-mx,0) (0,1/4,1/2;0,mx,0) 6c (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) (0,1/2,1/4;0,0,mx) (0,1/2,3/4;0,0,-mx) (1/2,3/4,0;0,-mx,0) (1/2,1/4,0;0,mx,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 223.4.1609 Pm-3n' UNI: 223.107 Pm-3n' BNS: 223.107 Pm-3n' Operators: (1|0,0,0) (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 24k (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;-mx,0,0) (1/2,z+1/2,-y+1/2;-mx,0,0) (z+1/2,y+1/2,1/2;0,0,mx) (-z+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,z+1/2,y+1/2;mx,0,0) (1/2,-z+1/2,-y+1/2;mx,0,0) (z+1/2,-y+1/2,1/2;0,0,-mx) (-z+1/2,-y+1/2,1/2;0,0,mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 24j (1/4,y,y+1/2;mx,my,-my) (3/4,-y,y+1/2;-mx,-my,-my) (3/4,y,-y+1/2;-mx,my,my) (y,y+1/2,1/4;my,-my,mx) (-y,y+1/2,3/4;-my,-my,-mx) (-y+1/2,3/4,y;my,-mx,my) (y+1/2,1/4,y;-my,mx,my) (1/4,-y,-y+1/2;mx,-my,my) (y+1/2,3/4,-y;-my,-mx,-my) (-y+1/2,1/4,-y;my,mx,-my) (y,-y+1/2,3/4;my,my,-mx) (-y,-y+1/2,1/4;-my,my,mx) (3/4,-y,-y+1/2;mx,my,-my) (1/4,y,-y+1/2;-mx,-my,-my) (1/4,-y,y+1/2;-mx,my,my) (-y,-y+1/2,3/4;my,-my,mx) (y,-y+1/2,1/4;-my,-my,-mx) (y+1/2,1/4,-y;my,-mx,my) (-y+1/2,3/4,-y;-my,mx,my) (3/4,y,y+1/2;mx,-my,my) (-y+1/2,1/4,y;-my,-mx,-my) (y+1/2,3/4,y;my,mx,-my) (-y,y+1/2,1/4;my,my,-mx) (y,y+1/2,3/4;-my,my,mx) 16i (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 12h (x,1/2,0;0,0,0) (x+1/2,1/2,0;0,0,0) (1/2,0,-x+1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) (-x,1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (0,x,1/2;0,0,0) (1/2,0,x;0,0,0) (1/2,0,-x;0,0,0) (0,-x,1/2;0,0,0) 12g (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 12f (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 8e (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) (3/4,3/4,3/4;mx,mx,mx) (1/4,3/4,1/4;-mx,mx,-mx) (1/4,1/4,3/4;-mx,-mx,mx) (3/4,1/4,1/4;mx,-mx,-mx) 6d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6c (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 223.5.1610 Pm'-3'n' UNI: 223.108 Pm'-3'n' BNS: 223.108 Pm'-3'n' Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 24k (0,y,z;0,my,mz) (1/2,-z+1/2,y+1/2;0,-mz,my) (1/2,z+1/2,-y+1/2;0,mz,-my) (z+1/2,y+1/2,1/2;mz,my,0) (-z+1/2,y+1/2,1/2;-mz,my,0) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (1/2,z+1/2,y+1/2;0,mz,my) (1/2,-z+1/2,-y+1/2;0,-mz,-my) (z+1/2,-y+1/2,1/2;mz,-my,0) (-z+1/2,-y+1/2,1/2;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 24j (1/4,y,y+1/2;0,my,my) (3/4,-y,y+1/2;0,-my,my) (3/4,y,-y+1/2;0,my,-my) (y,y+1/2,1/4;my,my,0) (-y,y+1/2,3/4;-my,my,0) (-y+1/2,3/4,y;-my,0,my) (y+1/2,1/4,y;my,0,my) (1/4,-y,-y+1/2;0,-my,-my) (y+1/2,3/4,-y;my,0,-my) (-y+1/2,1/4,-y;-my,0,-my) (y,-y+1/2,3/4;my,-my,0) (-y,-y+1/2,1/4;-my,-my,0) (3/4,-y,-y+1/2;0,-my,-my) (1/4,y,-y+1/2;0,my,-my) (1/4,-y,y+1/2;0,-my,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (y+1/2,1/4,-y;my,0,-my) (-y+1/2,3/4,-y;-my,0,-my) (3/4,y,y+1/2;0,my,my) (-y+1/2,1/4,y;-my,0,my) (y+1/2,3/4,y;my,0,my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) 16i (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 12h (x,1/2,0;mx,0,0) (x+1/2,1/2,0;mx,0,0) (1/2,0,-x+1/2;0,0,-mx) (1/2,0,x+1/2;0,0,mx) (0,x+1/2,1/2;0,mx,0) (0,-x+1/2,1/2;0,-mx,0) (-x,1/2,0;-mx,0,0) (-x+1/2,1/2,0;-mx,0,0) (0,x,1/2;0,mx,0) (1/2,0,x;0,0,mx) (1/2,0,-x;0,0,-mx) (0,-x,1/2;0,-mx,0) 12g (x,0,1/2;mx,0,0) (x+1/2,0,1/2;mx,0,0) (0,1/2,-x+1/2;0,0,-mx) (0,1/2,x+1/2;0,0,mx) (1/2,x+1/2,0;0,mx,0) (1/2,-x+1/2,0;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 12f (x,0,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,1/2,x+1/2;0,0,mx) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 8e (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6d (1/4,1/2,0;0,0,0) (3/4,1/2,0;0,0,0) (1/2,0,1/4;0,0,0) (1/2,0,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 6c (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 224.1.1611 Pn-3m UNI: 224.110 Pn-3m.1 BNS: 224.110 Pn-3m Operators: (1|0,0,0) (4x|1/2,0,1/2) (4x-1|1/2,1/2,0) (4y|1/2,1/2,0) (4y-1|0,1/2,1/2) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2yz|0,1/2,1/2) (2-yz|0,0,0) (2xz|1/2,0,1/2) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|1/2,0,1/2) (-4x-1|1/2,1/2,0) (-4y|1/2,1/2,0) (-4y-1|0,1/2,1/2) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (myz|0,1/2,1/2) (m-yz|0,0,0) (mxz|1/2,0,1/2) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y;mx,mz,-my) (z+1/2,y+1/2,-x;mz,my,-mx) (-z,y+1/2,x+1/2;-mz,my,mx) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/2,y+1/2;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/2,-y,x+1/2;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y;mx,mz,-my) (-z+1/2,-y+1/2,x;mz,my,-mx) (z,-y+1/2,-x+1/2;-mz,my,mx) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/2,-y+1/2;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/2,y,-x+1/2;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) 24k (x,x,z;mx,-mx,0) (x+1/2,-z,x+1/2;mx,0,-mx) (x+1/2,z+1/2,-x;mx,0,mx) (z+1/2,x+1/2,-x;0,-mx,-mx) (-z,x+1/2,x+1/2;0,-mx,mx) (-x,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,z+1/2;-mx,-mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z+1/2,x+1/2;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z+1/2,-x,x+1/2;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/2,z,-x+1/2;mx,0,-mx) (-z+1/2,-x+1/2,x;0,-mx,-mx) (-x+1/2,-z+1/2,x;mx,0,mx) (z,-x+1/2,-x+1/2;0,-mx,mx) (x,-z+1/2,-x+1/2;-mx,0,-mx) (-z+1/2,x,-x+1/2;0,mx,mx) 24j (1/2,y,-y;0,my,-my) (0,y,y+1/2;0,my,my) (0,-y+1/2,-y;0,-my,-my) (-y+1/2,y+1/2,1/2;-my,my,0) (y,y+1/2,0;my,my,0) (-y,0,-y+1/2;-my,0,-my) (y+1/2,1/2,-y+1/2;my,0,-my) (1/2,-y+1/2,y+1/2;0,-my,my) (y+1/2,0,y;my,0,my) (-y,1/2,y;-my,0,my) (-y+1/2,-y,0;-my,-my,0) (y,-y,1/2;my,-my,0) (1/2,-y,y;0,my,-my) (0,-y,-y+1/2;0,my,my) (0,y+1/2,y;0,-my,-my) (y+1/2,-y+1/2,1/2;-my,my,0) (-y,-y+1/2,0;my,my,0) (y,0,y+1/2;-my,0,-my) (-y+1/2,1/2,y+1/2;my,0,-my) (1/2,y+1/2,-y+1/2;0,-my,my) (-y+1/2,0,-y;my,0,my) (y,1/2,-y;-my,0,my) (y+1/2,y,0;-my,-my,0) (-y,y,1/2;my,-my,0) 24i (1/2,y,y+1/2;0,my,my) (0,-y+1/2,y+1/2;0,-my,my) (0,y,-y;0,my,-my) (y,y+1/2,1/2;my,my,0) (-y+1/2,y+1/2,0;-my,my,0) (-y,0,y;-my,0,my) (y+1/2,1/2,y;my,0,my) (1/2,-y+1/2,-y;0,-my,-my) (y+1/2,0,-y+1/2;my,0,-my) (-y,1/2,-y+1/2;-my,0,-my) (y,-y,0;my,-my,0) (-y+1/2,-y,1/2;-my,-my,0) (1/2,-y,-y+1/2;0,my,my) (0,y+1/2,-y+1/2;0,-my,my) (0,-y,y;0,my,-my) (-y,-y+1/2,1/2;my,my,0) (y+1/2,-y+1/2,0;-my,my,0) (y,0,-y;-my,0,my) (-y+1/2,1/2,-y;my,0,my) (1/2,y+1/2,y;0,-my,-my) (-y+1/2,0,y+1/2;my,0,-my) (y,1/2,y+1/2;-my,0,-my) (-y,y,0;my,-my,0) (y+1/2,y,1/2;-my,-my,0) 24h (x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) (1/4,3/4,-x;0,0,-mx) (1/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,1/4;0,mx,0) (3/4,-x,1/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,3/4;-mx,0,0) (3/4,x,1/4;0,mx,0) (1/4,3/4,x;0,0,mx) (1/4,3/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (3/4,1/4,x;0,0,-mx) (3/4,1/4,-x+1/2;0,0,mx) (1/4,-x+1/2,3/4;0,mx,0) (1/4,x,3/4;0,-mx,0) (x+1/2,3/4,1/4;-mx,0,0) (x,3/4,1/4;-mx,0,0) (1/4,-x,3/4;0,mx,0) (3/4,1/4,-x;0,0,mx) (3/4,1/4,x+1/2;0,0,-mx) (1/4,x+1/2,3/4;0,-mx,0) 12g (x,1/4,1/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,3/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,1/4;0,0,0) 12f (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 8e (x,x,x;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 224.2.1612 Pn-3m1' UNI: 224.111 Pn-3m.1' BNS: 224.111 Pn-3m1' Operators: (1|0,0,0) (4x|1/2,0,1/2) (4x-1|1/2,1/2,0) (4y|1/2,1/2,0) (4y-1|0,1/2,1/2) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2yz|0,1/2,1/2) (2-yz|0,0,0) (2xz|1/2,0,1/2) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|1/2,0,1/2) (-4x-1|1/2,1/2,0) (-4y|1/2,1/2,0) (-4y-1|0,1/2,1/2) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (myz|0,1/2,1/2) (m-yz|0,0,0) (mxz|1/2,0,1/2) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|0,0,0)' (4x|1/2,0,1/2)' (4x-1|1/2,1/2,0)' (4y|1/2,1/2,0)' (4y-1|0,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|0,1/2,1/2)' (2y|1/2,0,1/2)' (2z|1/2,1/2,0)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2yz|0,1/2,1/2)' (2-yz|0,0,0)' (2xz|1/2,0,1/2)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,1/2)' (3-xyz-1|1/2,1/2,0)' (3x-yz|1/2,1/2,0)' (3x-yz-1|0,1/2,1/2)' (3xy-z|0,1/2,1/2)' (3xy-z-1|1/2,0,1/2)' (-1|0,0,0)' (-4x|1/2,0,1/2)' (-4x-1|1/2,1/2,0)' (-4y|1/2,1/2,0)' (-4y-1|0,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (myz|0,1/2,1/2)' (m-yz|0,0,0)' (mxz|1/2,0,1/2)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;0,0,0) (x+1/2,-z,y+1/2;0,0,0) (x+1/2,z+1/2,-y;0,0,0) (z+1/2,y+1/2,-x;0,0,0) (-z,y+1/2,x+1/2;0,0,0) (-y,x+1/2,z+1/2;0,0,0) (y+1/2,-x,z+1/2;0,0,0) (x,-y+1/2,-z+1/2;0,0,0) (-x+1/2,y,-z+1/2;0,0,0) (-x+1/2,-y+1/2,z;0,0,0) (y+1/2,x+1/2,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z+1/2,y+1/2;0,0,0) (-x,-z,-y;0,0,0) (z+1/2,-y,x+1/2;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x+1/2;0,0,0) (-z+1/2,-x+1/2,y;0,0,0) (-y+1/2,-z+1/2,x;0,0,0) (z,-x+1/2,-y+1/2;0,0,0) (y,-z+1/2,-x+1/2;0,0,0) (-z+1/2,x,-y+1/2;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,z,-y+1/2;0,0,0) (-x+1/2,-z+1/2,y;0,0,0) (-z+1/2,-y+1/2,x;0,0,0) (z,-y+1/2,-x+1/2;0,0,0) (y,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x,-z+1/2;0,0,0) (-x,y+1/2,z+1/2;0,0,0) (x+1/2,-y,z+1/2;0,0,0) (x+1/2,y+1/2,-z;0,0,0) (-y+1/2,-x+1/2,z;0,0,0) (y,x,z;0,0,0) (x,-z+1/2,-y+1/2;0,0,0) (x,z,y;0,0,0) (-z+1/2,y,-x+1/2;0,0,0) (z,y,x;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/2,-z,x+1/2;0,0,0) (z+1/2,x+1/2,-y;0,0,0) (y+1/2,z+1/2,-x;0,0,0) (-z,x+1/2,y+1/2;0,0,0) (-y,z+1/2,x+1/2;0,0,0) (z+1/2,-x,y+1/2;0,0,0) 24k (x,x,z;0,0,0) (x+1/2,-z,x+1/2;0,0,0) (x+1/2,z+1/2,-x;0,0,0) (z+1/2,x+1/2,-x;0,0,0) (-z,x+1/2,x+1/2;0,0,0) (-x,x+1/2,z+1/2;0,0,0) (x+1/2,-x,z+1/2;0,0,0) (x,-x+1/2,-z+1/2;0,0,0) (-x+1/2,x,-z+1/2;0,0,0) (-x+1/2,-x+1/2,z;0,0,0) (x+1/2,x+1/2,-z;0,0,0) (-x,-x,-z;0,0,0) (-x,z+1/2,x+1/2;0,0,0) (-x,-z,-x;0,0,0) (z+1/2,-x,x+1/2;0,0,0) (-z,-x,-x;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x+1/2,z,-x+1/2;0,0,0) (-z+1/2,-x+1/2,x;0,0,0) (-x+1/2,-z+1/2,x;0,0,0) (z,-x+1/2,-x+1/2;0,0,0) (x,-z+1/2,-x+1/2;0,0,0) (-z+1/2,x,-x+1/2;0,0,0) 24j (1/2,y,-y;0,0,0) (0,y,y+1/2;0,0,0) (0,-y+1/2,-y;0,0,0) (-y+1/2,y+1/2,1/2;0,0,0) (y,y+1/2,0;0,0,0) (-y,0,-y+1/2;0,0,0) (y+1/2,1/2,-y+1/2;0,0,0) (1/2,-y+1/2,y+1/2;0,0,0) (y+1/2,0,y;0,0,0) (-y,1/2,y;0,0,0) (-y+1/2,-y,0;0,0,0) (y,-y,1/2;0,0,0) (1/2,-y,y;0,0,0) (0,-y,-y+1/2;0,0,0) (0,y+1/2,y;0,0,0) (y+1/2,-y+1/2,1/2;0,0,0) (-y,-y+1/2,0;0,0,0) (y,0,y+1/2;0,0,0) (-y+1/2,1/2,y+1/2;0,0,0) (1/2,y+1/2,-y+1/2;0,0,0) (-y+1/2,0,-y;0,0,0) (y,1/2,-y;0,0,0) (y+1/2,y,0;0,0,0) (-y,y,1/2;0,0,0) 24i (1/2,y,y+1/2;0,0,0) (0,-y+1/2,y+1/2;0,0,0) (0,y,-y;0,0,0) (y,y+1/2,1/2;0,0,0) (-y+1/2,y+1/2,0;0,0,0) (-y,0,y;0,0,0) (y+1/2,1/2,y;0,0,0) (1/2,-y+1/2,-y;0,0,0) (y+1/2,0,-y+1/2;0,0,0) (-y,1/2,-y+1/2;0,0,0) (y,-y,0;0,0,0) (-y+1/2,-y,1/2;0,0,0) (1/2,-y,-y+1/2;0,0,0) (0,y+1/2,-y+1/2;0,0,0) (0,-y,y;0,0,0) (-y,-y+1/2,1/2;0,0,0) (y+1/2,-y+1/2,0;0,0,0) (y,0,-y;0,0,0) (-y+1/2,1/2,-y;0,0,0) (1/2,y+1/2,y;0,0,0) (-y+1/2,0,y+1/2;0,0,0) (y,1/2,y+1/2;0,0,0) (-y,y,0;0,0,0) (y+1/2,y,1/2;0,0,0) 24h (x,1/4,3/4;0,0,0) (x+1/2,1/4,3/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,1/4;0,0,0) (3/4,-x,1/4;0,0,0) (-x+1/2,1/4,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (3/4,x,1/4;0,0,0) (1/4,3/4,x;0,0,0) (1/4,3/4,-x+1/2;0,0,0) (3/4,-x+1/2,1/4;0,0,0) (-x,3/4,1/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (3/4,1/4,x;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,3/4;0,0,0) (1/4,x,3/4;0,0,0) (x+1/2,3/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (1/4,-x,3/4;0,0,0) (3/4,1/4,-x;0,0,0) (3/4,1/4,x+1/2;0,0,0) (1/4,x+1/2,3/4;0,0,0) 12g (x,1/4,1/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,3/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,1/4;0,0,0) 12f (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 8e (x,x,x;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 224.3.1613 Pn'-3'm UNI: 224.112 Pn'-3'm BNS: 224.112 Pn'-3'm Operators: (1|0,0,0) (4x|1/2,0,1/2)' (4x-1|1/2,1/2,0)' (4y|1/2,1/2,0)' (4y-1|0,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2yz|0,1/2,1/2)' (2-yz|0,0,0)' (2xz|1/2,0,1/2)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0)' (-4x|1/2,0,1/2) (-4x-1|1/2,1/2,0) (-4y|1/2,1/2,0) (-4y-1|0,1/2,1/2) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0) (m-xy|0,0,0) (myz|0,1/2,1/2) (m-yz|0,0,0) (mxz|1/2,0,1/2) (m-xz|0,0,0) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y;-mx,-mz,my) (z+1/2,y+1/2,-x;-mz,-my,mx) (-z,y+1/2,x+1/2;mz,-my,-mx) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/2,y+1/2;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/2,-y,x+1/2;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y;mx,mz,-my) (-z+1/2,-y+1/2,x;mz,my,-mx) (z,-y+1/2,-x+1/2;-mz,my,mx) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/2,-y+1/2;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/2,y,-x+1/2;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y;mz,mx,-my) (y+1/2,z+1/2,-x;my,mz,-mx) (-z,x+1/2,y+1/2;-mz,mx,my) (-y,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x,y+1/2;mz,-mx,my) 24k (x,x,z;mx,-mx,0) (x+1/2,-z,x+1/2;-mx,0,mx) (x+1/2,z+1/2,-x;-mx,0,-mx) (z+1/2,x+1/2,-x;0,mx,mx) (-z,x+1/2,x+1/2;0,mx,-mx) (-x,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x,z+1/2;mx,mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z+1/2,x+1/2;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z+1/2,-x,x+1/2;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/2,z,-x+1/2;mx,0,-mx) (-z+1/2,-x+1/2,x;0,-mx,-mx) (-x+1/2,-z+1/2,x;mx,0,mx) (z,-x+1/2,-x+1/2;0,-mx,mx) (x,-z+1/2,-x+1/2;-mx,0,-mx) (-z+1/2,x,-x+1/2;0,mx,mx) 24j (1/2,y,-y;mx,my,my) (0,y,y+1/2;-mx,my,-my) (0,-y+1/2,-y;-mx,-my,my) (-y+1/2,y+1/2,1/2;-my,-my,mx) (y,y+1/2,0;my,-my,-mx) (-y,0,-y+1/2;my,-mx,-my) (y+1/2,1/2,-y+1/2;-my,mx,-my) (1/2,-y+1/2,y+1/2;mx,-my,-my) (y+1/2,0,y;-my,-mx,my) (-y,1/2,y;my,mx,my) (-y+1/2,-y,0;-my,my,-mx) (y,-y,1/2;my,my,mx) (1/2,-y,y;-mx,-my,-my) (0,-y,-y+1/2;mx,-my,my) (0,y+1/2,y;mx,my,-my) (y+1/2,-y+1/2,1/2;my,my,-mx) (-y,-y+1/2,0;-my,my,mx) (y,0,y+1/2;-my,mx,my) (-y+1/2,1/2,y+1/2;my,-mx,my) (1/2,y+1/2,-y+1/2;-mx,my,my) (-y+1/2,0,-y;my,mx,-my) (y,1/2,-y;-my,-mx,-my) (y+1/2,y,0;my,-my,mx) (-y,y,1/2;-my,-my,-mx) 24i (1/2,y,y+1/2;mx,my,-my) (0,-y+1/2,y+1/2;-mx,-my,-my) (0,y,-y;-mx,my,my) (y,y+1/2,1/2;my,-my,mx) (-y+1/2,y+1/2,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (y+1/2,1/2,y;-my,mx,my) (1/2,-y+1/2,-y;mx,-my,my) (y+1/2,0,-y+1/2;-my,-mx,-my) (-y,1/2,-y+1/2;my,mx,-my) (y,-y,0;my,my,-mx) (-y+1/2,-y,1/2;-my,my,mx) (1/2,-y,-y+1/2;-mx,-my,my) (0,y+1/2,-y+1/2;mx,my,my) (0,-y,y;mx,-my,-my) (-y,-y+1/2,1/2;-my,my,-mx) (y+1/2,-y+1/2,0;my,my,mx) (y,0,-y;-my,mx,-my) (-y+1/2,1/2,-y;my,-mx,-my) (1/2,y+1/2,y;-mx,my,-my) (-y+1/2,0,y+1/2;my,mx,my) (y,1/2,y+1/2;-my,-mx,my) (-y,y,0;-my,-my,mx) (y+1/2,y,1/2;my,-my,-mx) 24h (x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) (3/4,-x,1/4;0,mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (3/4,x,1/4;0,mx,0) (1/4,3/4,x;0,0,mx) (1/4,3/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,1/4;-mx,0,0) (-x+1/2,3/4,1/4;mx,0,0) (3/4,1/4,x;0,0,-mx) (3/4,1/4,-x+1/2;0,0,mx) (1/4,-x+1/2,3/4;0,mx,0) (1/4,x,3/4;0,-mx,0) (x+1/2,3/4,1/4;mx,0,0) (x,3/4,1/4;-mx,0,0) (1/4,-x,3/4;0,-mx,0) (3/4,1/4,-x;0,0,-mx) (3/4,1/4,x+1/2;0,0,mx) (1/4,x+1/2,3/4;0,mx,0) 12g (x,1/4,1/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,x+1/2,3/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,1/4;0,0,0) 12f (1/2,1/4,3/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,3/4,1/2;0,0,mx) (1/4,3/4,0;0,0,-mx) (3/4,0,1/4;0,-mx,0) (3/4,1/2,1/4;0,mx,0) (1/2,3/4,1/4;-mx,0,0) (0,3/4,1/4;mx,0,0) (3/4,1/4,1/2;0,0,-mx) (3/4,1/4,0;0,0,mx) (1/4,0,3/4;0,mx,0) (1/4,1/2,3/4;0,-mx,0) 8e (x,x,x;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 224.4.1614 Pn-3m' UNI: 224.113 Pn-3m' BNS: 224.113 Pn-3m' Operators: (1|0,0,0) (4x|1/2,0,1/2)' (4x-1|1/2,1/2,0)' (4y|1/2,1/2,0)' (4y-1|0,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2yz|0,1/2,1/2)' (2-yz|0,0,0)' (2xz|1/2,0,1/2)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|1/2,0,1/2)' (-4x-1|1/2,1/2,0)' (-4y|1/2,1/2,0)' (-4y-1|0,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (myz|0,1/2,1/2)' (m-yz|0,0,0)' (mxz|1/2,0,1/2)' (m-xz|0,0,0)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y;-mx,-mz,my) (z+1/2,y+1/2,-x;-mz,-my,mx) (-z,y+1/2,x+1/2;mz,-my,-mx) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/2,y+1/2;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/2,-y,x+1/2;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y;-mx,-mz,my) (-z+1/2,-y+1/2,x;-mz,-my,mx) (z,-y+1/2,-x+1/2;mz,-my,-mx) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/2,-y+1/2;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/2,y,-x+1/2;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) 24k (x,x,z;mx,mx,mz) (x+1/2,-z,x+1/2;-mx,mz,-mx) (x+1/2,z+1/2,-x;-mx,-mz,mx) (z+1/2,x+1/2,-x;-mz,-mx,mx) (-z,x+1/2,x+1/2;mz,-mx,-mx) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) (-x,z+1/2,x+1/2;mx,-mz,-mx) (-x,-z,-x;mx,mz,mx) (z+1/2,-x,x+1/2;-mz,mx,-mx) (-z,-x,-x;mz,mx,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/2,z,-x+1/2;-mx,mz,-mx) (-z+1/2,-x+1/2,x;-mz,-mx,mx) (-x+1/2,-z+1/2,x;-mx,-mz,mx) (z,-x+1/2,-x+1/2;mz,-mx,-mx) (x,-z+1/2,-x+1/2;mx,-mz,-mx) (-z+1/2,x,-x+1/2;-mz,mx,-mx) 24j (1/2,y,-y;mx,my,my) (0,y,y+1/2;-mx,my,-my) (0,-y+1/2,-y;-mx,-my,my) (-y+1/2,y+1/2,1/2;-my,-my,mx) (y,y+1/2,0;my,-my,-mx) (-y,0,-y+1/2;my,-mx,-my) (y+1/2,1/2,-y+1/2;-my,mx,-my) (1/2,-y+1/2,y+1/2;mx,-my,-my) (y+1/2,0,y;-my,-mx,my) (-y,1/2,y;my,mx,my) (-y+1/2,-y,0;-my,my,-mx) (y,-y,1/2;my,my,mx) (1/2,-y,y;mx,my,my) (0,-y,-y+1/2;-mx,my,-my) (0,y+1/2,y;-mx,-my,my) (y+1/2,-y+1/2,1/2;-my,-my,mx) (-y,-y+1/2,0;my,-my,-mx) (y,0,y+1/2;my,-mx,-my) (-y+1/2,1/2,y+1/2;-my,mx,-my) (1/2,y+1/2,-y+1/2;mx,-my,-my) (-y+1/2,0,-y;-my,-mx,my) (y,1/2,-y;my,mx,my) (y+1/2,y,0;-my,my,-mx) (-y,y,1/2;my,my,mx) 24i (1/2,y,y+1/2;mx,my,-my) (0,-y+1/2,y+1/2;-mx,-my,-my) (0,y,-y;-mx,my,my) (y,y+1/2,1/2;my,-my,mx) (-y+1/2,y+1/2,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (y+1/2,1/2,y;-my,mx,my) (1/2,-y+1/2,-y;mx,-my,my) (y+1/2,0,-y+1/2;-my,-mx,-my) (-y,1/2,-y+1/2;my,mx,-my) (y,-y,0;my,my,-mx) (-y+1/2,-y,1/2;-my,my,mx) (1/2,-y,-y+1/2;mx,my,-my) (0,y+1/2,-y+1/2;-mx,-my,-my) (0,-y,y;-mx,my,my) (-y,-y+1/2,1/2;my,-my,mx) (y+1/2,-y+1/2,0;-my,-my,-mx) (y,0,-y;my,-mx,my) (-y+1/2,1/2,-y;-my,mx,my) (1/2,y+1/2,y;mx,-my,my) (-y+1/2,0,y+1/2;-my,-mx,-my) (y,1/2,y+1/2;my,mx,-my) (-y,y,0;my,my,-mx) (y+1/2,y,1/2;-my,my,mx) 24h (x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;-mx,0,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) (3/4,-x,1/4;0,mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,3/4;mx,0,0) (3/4,x,1/4;0,mx,0) (1/4,3/4,x;0,0,mx) (1/4,3/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,1/4;mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (1/4,x,3/4;0,mx,0) (x+1/2,3/4,1/4;-mx,0,0) (x,3/4,1/4;mx,0,0) (1/4,-x,3/4;0,mx,0) (3/4,1/4,-x;0,0,mx) (3/4,1/4,x+1/2;0,0,-mx) (1/4,x+1/2,3/4;0,-mx,0) 12g (x,1/4,1/4;mx,0,0) (x+1/2,3/4,3/4;-mx,0,0) (3/4,3/4,-x;0,0,mx) (3/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,3/4;0,-mx,0) (3/4,-x,3/4;0,mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) 12f (1/2,1/4,3/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,3/4,1/2;0,0,mx) (1/4,3/4,0;0,0,-mx) (3/4,0,1/4;0,-mx,0) (3/4,1/2,1/4;0,mx,0) (1/2,3/4,1/4;mx,0,0) (0,3/4,1/4;-mx,0,0) (3/4,1/4,1/2;0,0,mx) (3/4,1/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) (1/4,1/2,3/4;0,mx,0) 8e (x,x,x;mx,mx,mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/2,1/2,1/2;mx,mx,mx) (0,1/2,0;-mx,mx,-mx) (0,0,1/2;-mx,-mx,mx) (1/2,0,0;mx,-mx,-mx) 4b (0,0,0;mx,mx,mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (0,1/2,1/2;mx,-mx,-mx) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 224.5.1615 Pn'-3'm' UNI: 224.114 Pn'-3'm' BNS: 224.114 Pn'-3'm' Operators: (1|0,0,0) (4x|1/2,0,1/2) (4x-1|1/2,1/2,0) (4y|1/2,1/2,0) (4y-1|0,1/2,1/2) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2yz|0,1/2,1/2) (2-yz|0,0,0) (2xz|1/2,0,1/2) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0)' (-4x|1/2,0,1/2)' (-4x-1|1/2,1/2,0)' (-4y|1/2,1/2,0)' (-4y-1|0,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|0,1/2,1/2)' (my|1/2,0,1/2)' (mz|1/2,1/2,0)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (myz|0,1/2,1/2)' (m-yz|0,0,0)' (mxz|1/2,0,1/2)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,1/2)' (-3-xyz-1|1/2,1/2,0)' (-3x-yz|1/2,1/2,0)' (-3x-yz-1|0,1/2,1/2)' (-3xy-z|0,1/2,1/2)' (-3xy-z-1|1/2,0,1/2)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 48l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y;mx,mz,-my) (z+1/2,y+1/2,-x;mz,my,-mx) (-z,y+1/2,x+1/2;-mz,my,mx) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/2,y+1/2;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/2,-y,x+1/2;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y;-mx,-mz,my) (-z+1/2,-y+1/2,x;-mz,-my,mx) (z,-y+1/2,-x+1/2;mz,-my,-mx) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/2,-y+1/2;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/2,y,-x+1/2;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y;mz,mx,-my) (y+1/2,z+1/2,-x;my,mz,-mx) (-z,x+1/2,y+1/2;-mz,mx,my) (-y,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x,y+1/2;mz,-mx,my) 24k (x,x,z;mx,mx,mz) (x+1/2,-z,x+1/2;mx,-mz,mx) (x+1/2,z+1/2,-x;mx,mz,-mx) (z+1/2,x+1/2,-x;mz,mx,-mx) (-z,x+1/2,x+1/2;-mz,mx,mx) (-x,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x,z+1/2;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+1/2,x+1/2,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z+1/2,x+1/2;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z+1/2,-x,x+1/2;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/2,z,-x+1/2;-mx,mz,-mx) (-z+1/2,-x+1/2,x;-mz,-mx,mx) (-x+1/2,-z+1/2,x;-mx,-mz,mx) (z,-x+1/2,-x+1/2;mz,-mx,-mx) (x,-z+1/2,-x+1/2;mx,-mz,-mx) (-z+1/2,x,-x+1/2;-mz,mx,-mx) 24j (1/2,y,-y;0,my,-my) (0,y,y+1/2;0,my,my) (0,-y+1/2,-y;0,-my,-my) (-y+1/2,y+1/2,1/2;-my,my,0) (y,y+1/2,0;my,my,0) (-y,0,-y+1/2;-my,0,-my) (y+1/2,1/2,-y+1/2;my,0,-my) (1/2,-y+1/2,y+1/2;0,-my,my) (y+1/2,0,y;my,0,my) (-y,1/2,y;-my,0,my) (-y+1/2,-y,0;-my,-my,0) (y,-y,1/2;my,-my,0) (1/2,-y,y;0,-my,my) (0,-y,-y+1/2;0,-my,-my) (0,y+1/2,y;0,my,my) (y+1/2,-y+1/2,1/2;my,-my,0) (-y,-y+1/2,0;-my,-my,0) (y,0,y+1/2;my,0,my) (-y+1/2,1/2,y+1/2;-my,0,my) (1/2,y+1/2,-y+1/2;0,my,-my) (-y+1/2,0,-y;-my,0,-my) (y,1/2,-y;my,0,-my) (y+1/2,y,0;my,my,0) (-y,y,1/2;-my,my,0) 24i (1/2,y,y+1/2;0,my,my) (0,-y+1/2,y+1/2;0,-my,my) (0,y,-y;0,my,-my) (y,y+1/2,1/2;my,my,0) (-y+1/2,y+1/2,0;-my,my,0) (-y,0,y;-my,0,my) (y+1/2,1/2,y;my,0,my) (1/2,-y+1/2,-y;0,-my,-my) (y+1/2,0,-y+1/2;my,0,-my) (-y,1/2,-y+1/2;-my,0,-my) (y,-y,0;my,-my,0) (-y+1/2,-y,1/2;-my,-my,0) (1/2,-y,-y+1/2;0,-my,-my) (0,y+1/2,-y+1/2;0,my,-my) (0,-y,y;0,-my,my) (-y,-y+1/2,1/2;-my,-my,0) (y+1/2,-y+1/2,0;my,-my,0) (y,0,-y;my,0,-my) (-y+1/2,1/2,-y;-my,0,-my) (1/2,y+1/2,y;0,my,my) (-y+1/2,0,y+1/2;-my,0,my) (y,1/2,y+1/2;my,0,my) (-y,y,0;-my,my,0) (y+1/2,y,1/2;my,my,0) 24h (x,1/4,3/4;mx,0,0) (x+1/2,1/4,3/4;mx,0,0) (1/4,3/4,-x;0,0,-mx) (1/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,1/4;0,mx,0) (3/4,-x,1/4;0,-mx,0) (-x+1/2,1/4,3/4;-mx,0,0) (-x,1/4,3/4;-mx,0,0) (3/4,x,1/4;0,mx,0) (1/4,3/4,x;0,0,mx) (1/4,3/4,-x+1/2;0,0,-mx) (3/4,-x+1/2,1/4;0,-mx,0) (-x,3/4,1/4;-mx,0,0) (-x+1/2,3/4,1/4;-mx,0,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (1/4,x,3/4;0,mx,0) (x+1/2,3/4,1/4;mx,0,0) (x,3/4,1/4;mx,0,0) (1/4,-x,3/4;0,-mx,0) (3/4,1/4,-x;0,0,-mx) (3/4,1/4,x+1/2;0,0,mx) (1/4,x+1/2,3/4;0,mx,0) 12g (x,1/4,1/4;mx,0,0) (x+1/2,3/4,3/4;mx,0,0) (3/4,3/4,-x;0,0,-mx) (3/4,3/4,x+1/2;0,0,mx) (3/4,x+1/2,3/4;0,mx,0) (3/4,-x,3/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) 12f (1/2,1/4,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,3/4,1/2;0,0,0) (1/4,3/4,0;0,0,0) (3/4,0,1/4;0,0,0) (3/4,1/2,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (0,3/4,1/4;0,0,0) (3/4,1/4,1/2;0,0,0) (3/4,1/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,1/2,3/4;0,0,0) 8e (x,x,x;mx,mx,mx) (x+1/2,-x,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x;mx,mx,-mx) (-x,x+1/2,x+1/2;-mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 6d (1/4,3/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) 4c (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 4b (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) 2a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 224.6.1616 P_Fn-3m UNI: 227.133 Fd-3m.1'_I[Pn-3m] BNS: 227.133 F_Sd-3m OG-BNS transformation: (1,1,1;2a,2b,2c) Operators (OG): (1|0,0,0) (4x|1/2,0,1/2) (4x-1|1/2,1/2,0) (4y|1/2,1/2,0) (4y-1|0,1/2,1/2) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2yz|0,1/2,1/2) (2-yz|0,0,0) (2xz|1/2,0,1/2) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|1/2,0,1/2) (-4x-1|1/2,1/2,0) (-4y|1/2,1/2,0) (-4y-1|0,1/2,1/2) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (myz|0,1/2,1/2) (m-yz|0,0,0) (mxz|1/2,0,1/2) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1,1,1)' (4x|3/2,1,3/2)' (4x-1|3/2,3/2,1)' (4y|3/2,3/2,1)' (4y-1|1,3/2,3/2)' (4z|1,3/2,3/2)' (4z-1|3/2,1,3/2)' (2x|1,3/2,3/2)' (2y|3/2,1,3/2)' (2z|3/2,3/2,1)' (2xy|3/2,3/2,1)' (2-xy|1,1,1)' (2yz|1,3/2,3/2)' (2-yz|1,1,1)' (2xz|3/2,1,3/2)' (2-xz|1,1,1)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|3/2,1,3/2)' (3-xyz-1|3/2,3/2,1)' (3x-yz|3/2,3/2,1)' (3x-yz-1|1,3/2,3/2)' (3xy-z|1,3/2,3/2)' (3xy-z-1|3/2,1,3/2)' (-1|1,1,1)' (-4x|3/2,1,3/2)' (-4x-1|3/2,3/2,1)' (-4y|3/2,3/2,1)' (-4y-1|1,3/2,3/2)' (-4z|1,3/2,3/2)' (-4z-1|3/2,1,3/2)' (mx|1,3/2,3/2)' (my|3/2,1,3/2)' (mz|3/2,3/2,1)' (mxy|3/2,3/2,1)' (m-xy|1,1,1)' (myz|1,3/2,3/2)' (m-yz|1,1,1)' (mxz|3/2,1,3/2)' (m-xz|1,1,1)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|3/2,1,3/2)' (-3-xyz-1|3/2,3/2,1)' (-3x-yz|3/2,3/2,1)' (-3x-yz-1|1,3/2,3/2)' (-3xy-z|1,3/2,3/2)' (-3xy-z-1|3/2,1,3/2)' Wyckoff positions (OG): (0,0,0)+ (2,0,0)+ (0,2,0)+ (0,0,2)+ (0,1,1)+ (1,0,1)+ (1,1,0)+ 384l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y;mx,mz,-my) (z+1/2,y+1/2,-x;mz,my,-mx) (-z,y+1/2,x+1/2;-mz,my,mx) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/2,y+1/2;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/2,-y,x+1/2;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y;mx,mz,-my) (-z+1/2,-y+1/2,x;mz,my,-mx) (z,-y+1/2,-x+1/2;-mz,my,mx) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/2,-y+1/2;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/2,y,-x+1/2;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+3/2,-z+1,y+3/2;-mx,mz,-my) (x+3/2,z+3/2,-y+1;-mx,-mz,my) (z+3/2,y+3/2,-x+1;-mz,-my,mx) (-z+1,y+3/2,x+3/2;mz,-my,-mx) (-y+1,x+3/2,z+3/2;my,-mx,-mz) (y+3/2,-x+1,z+3/2;-my,mx,-mz) (x+1,-y+3/2,-z+3/2;-mx,my,mz) (-x+3/2,y+1,-z+3/2;mx,-my,mz) (-x+3/2,-y+3/2,z+1;mx,my,-mz) (y+3/2,x+3/2,-z+1;-my,-mx,mz) (-y+1,-x+1,-z+1;my,mx,mz) (-x+1,z+3/2,y+3/2;mx,-mz,-my) (-x+1,-z+1,-y+1;mx,mz,my) (z+3/2,-y+1,x+3/2;-mz,my,-mx) (-z+1,-y+1,-x+1;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+3/2,z+1,-x+3/2;my,-mz,mx) (-z+3/2,-x+3/2,y+1;mz,mx,-my) (-y+3/2,-z+3/2,x+1;my,mz,-mx) (z+1,-x+3/2,-y+3/2;-mz,mx,my) (y+1,-z+3/2,-x+3/2;-my,mz,mx) (-z+3/2,x+1,-y+3/2;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+3/2,z+1,-y+3/2;-mx,mz,-my) (-x+3/2,-z+3/2,y+1;-mx,-mz,my) (-z+3/2,-y+3/2,x+1;-mz,-my,mx) (z+1,-y+3/2,-x+3/2;mz,-my,-mx) (y+1,-x+3/2,-z+3/2;my,-mx,-mz) (-y+3/2,x+1,-z+3/2;-my,mx,-mz) (-x+1,y+3/2,z+3/2;-mx,my,mz) (x+3/2,-y+1,z+3/2;mx,-my,mz) (x+3/2,y+3/2,-z+1;mx,my,-mz) (-y+3/2,-x+3/2,z+1;-my,-mx,mz) (y+1,x+1,z+1;my,mx,mz) (x+1,-z+3/2,-y+3/2;mx,-mz,-my) (x+1,z+1,y+1;mx,mz,my) (-z+3/2,y+1,-x+3/2;-mz,my,-mx) (z+1,y+1,x+1;mz,my,mx) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+3/2,-z+1,x+3/2;my,-mz,mx) (z+3/2,x+3/2,-y+1;mz,mx,-my) (y+3/2,z+3/2,-x+1;my,mz,-mx) (-z+1,x+3/2,y+3/2;-mz,mx,my) (-y+1,z+3/2,x+3/2;-my,mz,mx) (z+3/2,-x+1,y+3/2;mz,-mx,my) 192k (x,x,z;mx,-mx,0) (x+1/2,-z,x+1/2;mx,0,-mx) (x+1/2,z+1/2,-x;mx,0,mx) (z+1/2,x+1/2,-x;0,-mx,-mx) (-z,x+1/2,x+1/2;0,-mx,mx) (-x,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,z+1/2;-mx,-mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z+1/2,x+1/2;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z+1/2,-x,x+1/2;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/2,z,-x+1/2;mx,0,-mx) (-z+1/2,-x+1/2,x;0,-mx,-mx) (-x+1/2,-z+1/2,x;mx,0,mx) (z,-x+1/2,-x+1/2;0,-mx,mx) (x,-z+1/2,-x+1/2;-mx,0,-mx) (-z+1/2,x,-x+1/2;0,mx,mx) (x+1,x+1,z+1;-mx,mx,0) (x+3/2,-z+1,x+3/2;-mx,0,mx) (x+3/2,z+3/2,-x+1;-mx,0,-mx) (z+3/2,x+3/2,-x+1;0,mx,mx) (-z+1,x+3/2,x+3/2;0,mx,-mx) (-x+1,x+3/2,z+3/2;-mx,-mx,0) (x+3/2,-x+1,z+3/2;mx,mx,0) (x+1,-x+3/2,-z+3/2;-mx,-mx,0) (-x+3/2,x+1,-z+3/2;mx,mx,0) (-x+3/2,-x+3/2,z+1;mx,-mx,0) (x+3/2,x+3/2,-z+1;mx,-mx,0) (-x+1,-x+1,-z+1;-mx,mx,0) (-x+1,z+3/2,x+3/2;mx,0,mx) (-x+1,-z+1,-x+1;mx,0,-mx) (z+3/2,-x+1,x+3/2;0,-mx,-mx) (-z+1,-x+1,-x+1;0,-mx,mx) (z+1,x+1,x+1;0,-mx,mx) (x+1,z+1,x+1;mx,0,-mx) (-x+3/2,z+1,-x+3/2;-mx,0,mx) (-z+3/2,-x+3/2,x+1;0,mx,mx) (-x+3/2,-z+3/2,x+1;-mx,0,-mx) (z+1,-x+3/2,-x+3/2;0,mx,-mx) (x+1,-z+3/2,-x+3/2;mx,0,mx) (-z+3/2,x+1,-x+3/2;0,-mx,-mx) 192j (1/2,y,-y;mx,my,my) (1,y,y+1/2;mx,-my,my) (1,-y+1/2,-y;mx,my,-my) (-y+1/2,y+1/2,-1/2;my,my,-mx) (y,y+1/2,1;-my,my,mx) (-y,1,-y+1/2;-my,mx,my) (y+1/2,-1/2,-y+1/2;my,-mx,my) (1/2,-y+1/2,y+1/2;mx,-my,-my) (0,y,y+1/2;-mx,my,-my) (0,-y+1/2,-y;-mx,-my,my) (y+1/2,1,y;my,mx,-my) (-y,-1/2,y;-my,-mx,-my) (-1/2,-y+1/2,y+1/2;-mx,my,my) (-1/2,y,-y;-mx,-my,-my) (-y+1/2,-y,1;my,-my,mx) (y,-y,-1/2;-my,-my,-mx) (-y,1/2,y;my,mx,my) (y,-y,1/2;my,my,mx) (-y+1/2,-y,0;-my,my,-mx) (y+1/2,0,y;-my,-mx,my) (-y+1/2,y+1/2,1/2;-my,-my,mx) (-y,0,-y+1/2;my,-mx,-my) (y,y+1/2,0;my,-my,-mx) (y+1/2,1/2,-y+1/2;-my,mx,-my) (-1/2,-y,y;mx,my,my) (0,-y,-y+1/2;mx,-my,my) (0,y+1/2,y;mx,my,-my) (y+1/2,-y+1/2,1/2;my,my,-mx) (-y,-y+1/2,0;-my,my,mx) (y,0,y+1/2;-my,mx,my) (-y+1/2,1/2,y+1/2;my,-mx,my) (-1/2,y+1/2,-y+1/2;mx,-my,-my) (1,-y,-y+1/2;-mx,my,-my) (1,y+1/2,y;-mx,-my,my) (-y+1/2,0,-y;my,mx,-my) (y,1/2,-y;-my,-mx,-my) (1/2,y+1/2,-y+1/2;-mx,my,my) (1/2,-y,y;-mx,-my,-my) (y+1/2,y,0;my,-my,mx) (-y,y,1/2;-my,-my,-mx) (y,-1/2,-y;my,mx,my) (-y,y,-1/2;my,my,mx) (y+1/2,y,1;-my,my,-mx) (-y+1/2,1,-y;-my,-mx,my) (y+1/2,-y+1/2,-1/2;-my,-my,mx) (y,1,y+1/2;my,-mx,-my) (-y,-y+1/2,1;my,-my,-mx) (-y+1/2,-1/2,y+1/2;-my,mx,-my) 192i (1/2,y,y+1/2;0,my,my) (0,-y+1/2,y+1/2;0,-my,my) (0,y,-y;0,my,-my) (y,y+1/2,1/2;my,my,0) (-y+1/2,y+1/2,0;-my,my,0) (-y,0,y;-my,0,my) (y+1/2,1/2,y;my,0,my) (1/2,-y+1/2,-y;0,-my,-my) (y+1/2,0,-y+1/2;my,0,-my) (-y,1/2,-y+1/2;-my,0,-my) (y,-y,0;my,-my,0) (-y+1/2,-y,1/2;-my,-my,0) (-1/2,-y,-y-1/2;0,my,my) (1,y+1/2,-y-1/2;0,-my,my) (1,-y,y+1;0,my,-my) (-y,-y-1/2,-1/2;my,my,0) (y+1/2,-y-1/2,1;-my,my,0) (y+1,1,-y;-my,0,my) (-y-1/2,-1/2,-y;my,0,my) (-1/2,y+1/2,y+1;0,-my,-my) (-y-1/2,1,y+1/2;my,0,-my) (y+1,-1/2,y+1/2;-my,0,-my) (-y,y+1,1;my,-my,0) (y+1/2,y+1,-1/2;-my,-my,0) (3/2,y+1,y+3/2;0,-my,-my) (1,-y+3/2,y+3/2;0,my,-my) (1,y+1,-y+1;0,-my,my) (y+1,y+3/2,3/2;-my,-my,0) (-y+3/2,y+3/2,1;my,-my,0) (-y+1,1,y+1;my,0,-my) (y+3/2,3/2,y+1;-my,0,-my) (3/2,-y+3/2,-y+1;0,my,my) (y+3/2,1,-y+3/2;-my,0,my) (-y+1,3/2,-y+3/2;my,0,my) (y+1,-y+1,1;-my,my,0) (-y+3/2,-y+1,3/2;my,my,0) (1/2,-y+1,-y+1/2;0,-my,-my) (2,y+3/2,-y+1/2;0,my,-my) (2,-y+1,y+2;0,-my,my) (-y+1,-y+1/2,1/2;-my,-my,0) (y+3/2,-y+1/2,2;my,-my,0) (y+2,2,-y+1;my,0,-my) (-y+1/2,1/2,-y+1;-my,0,-my) (1/2,y+3/2,y+2;0,my,my) (-y+1/2,2,y+3/2;-my,0,my) (y+2,1/2,y+3/2;my,0,my) (-y+1,y+2,2;-my,my,0) (y+3/2,y+2,1/2;my,my,0) 192h (x,1/4,3/4;0,my,mz) (x+1/2,-3/4,3/4;0,-mz,my) (x+1/2,5/4,-1/4;0,mz,-my) (5/4,3/4,-x;mz,my,0) (-3/4,3/4,x+1/2;-mz,my,0) (-1/4,x+1/2,5/4;-my,0,mz) (3/4,-x,5/4;my,0,mz) (x,1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,-1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (3/4,x+1/2,-3/4;my,0,-mz) (-1/4,-x,-3/4;-my,0,-mz) (-x,5/4,3/4;0,mz,my) (-x,-3/4,-1/4;0,-mz,-my) (5/4,-1/4,x+1/2;mz,-my,0) (-3/4,-1/4,-x;-mz,-my,0) (3/4,x,1/4;mz,0,my) (1/4,3/4,x;my,mz,0) (1/4,3/4,-x+1/2;-my,mz,0) (-1/4,-x+1/2,1/4;-mz,0,my) (1/4,-1/4,x;-my,-mz,0) (3/4,-x+1/2,1/4;mz,0,-my) (1/4,-1/4,-x+1/2;my,-mz,0) (-1/4,x,1/4;-mz,0,-my) (-x,-1/4,-3/4;0,my,mz) (-x+1/2,3/4,1/4;0,-mz,my) (-x+1/2,-1/4,1/4;0,mz,-my) (-1/4,1/4,x;mz,my,0) (3/4,1/4,-x+1/2;-mz,my,0) (1/4,-x+1/2,-1/4;-my,0,mz) (1/4,x,-1/4;my,0,mz) (-x,3/4,5/4;0,-my,-mz) (x+1/2,-1/4,5/4;0,my,-mz) (x+1/2,3/4,-3/4;0,-my,mz) (1/4,-x+1/2,3/4;my,0,-mz) (1/4,x,3/4;-my,0,-mz) (x,-1/4,1/4;0,mz,my) (x,3/4,1/4;0,-mz,-my) (-1/4,1/4,-x+1/2;mz,-my,0) (3/4,1/4,x;-mz,-my,0) (-3/4,-x,-1/4;mz,0,my) (-1/4,-3/4,-x;my,mz,0) (3/4,-3/4,x+1/2;-my,mz,0) (5/4,x+1/2,-1/4;-mz,0,my) (3/4,5/4,-x;-my,-mz,0) (-3/4,x+1/2,3/4;mz,0,-my) (-1/4,5/4,x+1/2;my,-mz,0) (5/4,-x,3/4;-mz,0,-my) 96g (x,1/4,1/4;0,0,0) (x+1/2,-1/4,3/4;0,0,0) (-1/4,-1/4,-x;0,0,0) (-1/4,3/4,x+1/2;0,0,0) (-1/4,x+1/2,3/4;0,0,0) (-1/4,-x,-1/4;0,0,0) (-x+1/2,1/4,1/4;0,0,0) (-x,-1/4,-1/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,1/4,-x+1/2;0,0,0) (1/4,-x+1/2,1/4;0,0,0) (x+1,5/4,5/4;0,0,0) (x+3/2,3/4,7/4;0,0,0) (3/4,3/4,-x+1;0,0,0) (3/4,7/4,x+3/2;0,0,0) (3/4,x+3/2,7/4;0,0,0) (3/4,-x+1,3/4;0,0,0) (-x+3/2,5/4,5/4;0,0,0) (-x+1,3/4,3/4;0,0,0) (5/4,x+1,5/4;0,0,0) (5/4,5/4,x+1;0,0,0) (5/4,5/4,-x+3/2;0,0,0) (5/4,-x+3/2,5/4;0,0,0) 96f (1/2,1/4,3/4;0,my,my) (0,1/4,3/4;0,-my,my) (0,1/4,-1/4;0,my,-my) (1/4,3/4,1/2;my,my,0) (1/4,3/4,0;-my,my,0) (-1/4,0,1/4;-my,0,my) (3/4,1/2,1/4;my,0,my) (1/2,1/4,-1/4;0,-my,-my) (3/4,0,1/4;my,0,-my) (-1/4,1/2,1/4;-my,0,-my) (1/4,-1/4,0;my,-my,0) (1/4,-1/4,1/2;-my,-my,0) (-1/2,-1/4,-3/4;0,my,my) (1,3/4,-3/4;0,-my,my) (1,-1/4,5/4;0,my,-my) (-1/4,-3/4,-1/2;my,my,0) (3/4,-3/4,1;-my,my,0) (5/4,1,-1/4;-my,0,my) (-3/4,-1/2,-1/4;my,0,my) (-1/2,3/4,5/4;0,-my,-my) (-3/4,1,3/4;my,0,-my) (5/4,-1/2,3/4;-my,0,-my) (-1/4,5/4,1;my,-my,0) (3/4,5/4,-1/2;-my,-my,0) 64e (x,x,x;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) (x+1,x+1,x+1;0,0,0) (x+3/2,-x+1,x+3/2;0,0,0) (x+3/2,x+3/2,-x+1;0,0,0) (-x+1,x+3/2,x+3/2;0,0,0) (x+1,-x+3/2,-x+3/2;0,0,0) (-x+3/2,x+1,-x+3/2;0,0,0) (-x+3/2,-x+3/2,x+1;0,0,0) (-x+1,-x+1,-x+1;0,0,0) 48d (1/4,3/4,3/4;0,0,0) (3/4,-3/4,5/4;0,0,0) (-3/4,-3/4,-1/4;0,0,0) (-3/4,5/4,3/4;0,0,0) (-3/4,3/4,5/4;0,0,0) (-3/4,-1/4,-3/4;0,0,0) (1/4,3/4,-1/4;0,0,0) (-1/4,-3/4,-3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,-1/4,1/4;0,0,0) (3/4,1/4,-1/4;0,0,0) 32c (1/2,1/2,1/2;0,0,0) (1,-1/2,1;0,0,0) (1,1,-1/2;0,0,0) (-1/2,1,1;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (-1/2,-1/2,-1/2;0,0,0) 32b (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1,1,1;0,0,0) (3/2,1,3/2;0,0,0) (3/2,3/2,1;0,0,0) (1,3/2,3/2;0,0,0) 16a (1/4,1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (5/4,5/4,5/4;0,0,0) (3/4,3/4,3/4;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/4,0,1/4) (4x-1|1/4,1/4,0) (4y|1/4,1/4,0) (4y-1|0,1/4,1/4) (4z|0,1/4,1/4) (4z-1|1/4,0,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0) (2-xy|0,0,0) (2yz|0,1/4,1/4) (2-yz|0,0,0) (2xz|1/4,0,1/4) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,0,1/4) (-4x-1|1/4,1/4,0) (-4y|1/4,1/4,0) (-4y-1|0,1/4,1/4) (-4z|0,1/4,1/4) (-4z-1|1/4,0,1/4) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,0) (m-xy|0,0,0) (myz|0,1/4,1/4) (m-yz|0,0,0) (mxz|1/4,0,1/4) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (1|0,0,1/2)' (4x|1/4,1/2,1/4)' (4x-1|1/4,1/4,1/2)' (4y|1/4,1/4,1/2)' (4y-1|1/2,1/4,1/4)' (4z|1/2,1/4,1/4)' (4z-1|1/4,1/2,1/4)' (2x|1/2,1/4,1/4)' (2y|1/4,1/2,1/4)' (2z|1/4,1/4,1/2)' (2xy|1/4,1/4,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/4,1/4)' (2-yz|1/2,1/2,1/2)' (2xz|1/4,1/2,1/4)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/4,1/2,1/4)' (3-xyz-1|1/4,1/4,1/2)' (3x-yz|1/4,1/4,1/2)' (3x-yz-1|1/2,1/4,1/4)' (3xy-z|1/2,1/4,1/4)' (3xy-z-1|1/4,1/2,1/4)' (-1|1/2,1/2,1/2)' (-4x|1/4,1/2,1/4)' (-4x-1|1/4,1/4,1/2)' (-4y|1/4,1/4,1/2)' (-4y-1|1/2,1/4,1/4)' (-4z|1/2,1/4,1/4)' (-4z-1|1/4,1/2,1/4)' (mx|1/2,1/4,1/4)' (my|1/4,1/2,1/4)' (mz|1/4,1/4,1/2)' (mxy|1/4,1/4,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/4,1/4)' (m-yz|1/2,1/2,1/2)' (mxz|1/4,1/2,1/4)' (m-xz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/4,1/2,1/4)' (-3-xyz-1|1/4,1/4,1/2)' (-3x-yz|1/4,1/4,1/2)' (-3x-yz-1|1/2,1/4,1/4)' (-3xy-z|1/2,1/4,1/4)' (-3xy-z-1|1/4,1/2,1/4)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 384l (x,y,z;mx,my,mz) (x+1/4,-z,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y;mx,mz,-my) (z+1/4,y+1/4,-x;mz,my,-mx) (-z,y+1/4,x+1/4;-mz,my,mx) (-y,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x,z+1/4;my,-mx,mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/4,y+1/4;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/4,-y,x+1/4;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y;mx,mz,-my) (-z+1/4,-y+1/4,x;mz,my,-mx) (z,-y+1/4,-x+1/4;-mz,my,mx) (y,-x+1/4,-z+1/4;-my,mx,mz) (-y+1/4,x,-z+1/4;my,-mx,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/4,-y+1/4;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/4,y,-x+1/4;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) (x,y,z+1/2;-mx,-my,-mz) (x+1/4,-z+1/2,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y+1/2;-mx,-mz,my) (z+1/4,y+1/4,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/4,x+1/4;mz,-my,-mx) (-y+1/2,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/2,z+1/4;-my,mx,-mz) (x+1/2,-y+1/4,-z+1/4;-mx,my,mz) (-x+1/4,y+1/2,-z+1/4;mx,-my,mz) (-x+1/4,-y+1/4,z+1/2;mx,my,-mz) (y+1/4,x+1/4,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/4,y+1/4;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/4,-y+1/2,x+1/4;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/4,z+1/2,-x+1/4;my,-mz,mx) (-z+1/4,-x+1/4,y+1/2;mz,mx,-my) (-y+1/4,-z+1/4,x+1/2;my,mz,-mx) (z+1/2,-x+1/4,-y+1/4;-mz,mx,my) (y+1/2,-z+1/4,-x+1/4;-my,mz,mx) (-z+1/4,x+1/2,-y+1/4;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/4,z+1/2,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y+1/2;-mx,-mz,my) (-z+1/4,-y+1/4,x+1/2;-mz,-my,mx) (z+1/2,-y+1/4,-x+1/4;mz,-my,-mx) (y+1/2,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/2,-z+1/4;-my,mx,-mz) (-x+1/2,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y+1/2,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z+1/2;mx,my,-mz) (-y+1/4,-x+1/4,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/4,-y+1/4;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/4,y+1/2,-x+1/4;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/4,-z+1/2,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y+1/2;mz,mx,-my) (y+1/4,z+1/4,-x+1/2;my,mz,-mx) (-z+1/2,x+1/4,y+1/4;-mz,mx,my) (-y+1/2,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x+1/2,y+1/4;mz,-mx,my) 192k (x,x,z;mx,-mx,0) (x+1/4,-z,x+1/4;mx,0,-mx) (x+1/4,z+1/4,-x;mx,0,mx) (z+1/4,x+1/4,-x;0,-mx,-mx) (-z,x+1/4,x+1/4;0,-mx,mx) (-x,x+1/4,z+1/4;mx,mx,0) (x+1/4,-x,z+1/4;-mx,-mx,0) (x,-x+1/4,-z+1/4;mx,mx,0) (-x+1/4,x,-z+1/4;-mx,-mx,0) (-x+1/4,-x+1/4,z;-mx,mx,0) (x+1/4,x+1/4,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z+1/4,x+1/4;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z+1/4,-x,x+1/4;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/4,z,-x+1/4;mx,0,-mx) (-z+1/4,-x+1/4,x;0,-mx,-mx) (-x+1/4,-z+1/4,x;mx,0,mx) (z,-x+1/4,-x+1/4;0,-mx,mx) (x,-z+1/4,-x+1/4;-mx,0,-mx) (-z+1/4,x,-x+1/4;0,mx,mx) (x,x,z+1/2;-mx,mx,0) (x+1/4,-z+1/2,x+1/4;-mx,0,mx) (x+1/4,z+1/4,-x+1/2;-mx,0,-mx) (z+1/4,x+1/4,-x+1/2;0,mx,mx) (-z+1/2,x+1/4,x+1/4;0,mx,-mx) (-x+1/2,x+1/4,z+1/4;-mx,-mx,0) (x+1/4,-x+1/2,z+1/4;mx,mx,0) (x+1/2,-x+1/4,-z+1/4;-mx,-mx,0) (-x+1/4,x+1/2,-z+1/4;mx,mx,0) (-x+1/4,-x+1/4,z+1/2;mx,-mx,0) (x+1/4,x+1/4,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,z+1/4,x+1/4;mx,0,mx) (-x+1/2,-z+1/2,-x+1/2;mx,0,-mx) (z+1/4,-x+1/2,x+1/4;0,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/4,z+1/2,-x+1/4;-mx,0,mx) (-z+1/4,-x+1/4,x+1/2;0,mx,mx) (-x+1/4,-z+1/4,x+1/2;-mx,0,-mx) (z+1/2,-x+1/4,-x+1/4;0,mx,-mx) (x+1/2,-z+1/4,-x+1/4;mx,0,mx) (-z+1/4,x+1/2,-x+1/4;0,-mx,-mx) 192j (3/4,y,-y;mx,my,my) (0,y,y+1/4;mx,-my,my) (0,-y+1/4,-y;mx,my,-my) (-y+1/4,y+1/4,1/4;my,my,-mx) (y,y+1/4,0;-my,my,mx) (-y,0,-y+1/4;-my,mx,my) (y+1/4,1/4,-y+1/4;my,-mx,my) (3/4,-y+1/4,y+1/4;mx,-my,-my) (1/2,y,y+1/4;-mx,my,-my) (1/2,-y+1/4,-y;-mx,-my,my) (y+1/4,0,y;my,mx,-my) (-y,1/4,y;-my,-mx,-my) (1/4,-y+1/4,y+1/4;-mx,my,my) (1/4,y,-y;-mx,-my,-my) (-y+1/4,-y,0;my,-my,mx) (y,-y,1/4;-my,-my,-mx) (-y,3/4,y;my,mx,my) (y,-y,3/4;my,my,mx) (-y+1/4,-y,1/2;-my,my,-mx) (y+1/4,1/2,y;-my,-mx,my) (-y+1/4,y+1/4,3/4;-my,-my,mx) (-y,1/2,-y+1/4;my,-mx,-my) (y,y+1/4,1/2;my,-my,-mx) (y+1/4,3/4,-y+1/4;-my,mx,-my) (1/4,-y,y;mx,my,my) (1/2,-y,-y+1/4;mx,-my,my) (1/2,y+1/4,y;mx,my,-my) (y+1/4,-y+1/4,3/4;my,my,-mx) (-y,-y+1/4,1/2;-my,my,mx) (y,1/2,y+1/4;-my,mx,my) (-y+1/4,3/4,y+1/4;my,-mx,my) (1/4,y+1/4,-y+1/4;mx,-my,-my) (0,-y,-y+1/4;-mx,my,-my) (0,y+1/4,y;-mx,-my,my) (-y+1/4,1/2,-y;my,mx,-my) (y,3/4,-y;-my,-mx,-my) (3/4,y+1/4,-y+1/4;-mx,my,my) (3/4,-y,y;-mx,-my,-my) (y+1/4,y,1/2;my,-my,mx) (-y,y,3/4;-my,-my,-mx) (y,1/4,-y;my,mx,my) (-y,y,1/4;my,my,mx) (y+1/4,y,0;-my,my,-mx) (-y+1/4,0,-y;-my,-mx,my) (y+1/4,-y+1/4,1/4;-my,-my,mx) (y,0,y+1/4;my,-mx,-my) (-y,-y+1/4,0;my,-my,-mx) (-y+1/4,1/4,y+1/4;-my,mx,-my) 192i (3/4,y,y+1/4;0,my,my) (1/2,-y+1/4,y+1/4;0,-my,my) (1/2,y,-y;0,my,-my) (y,y+1/4,3/4;my,my,0) (-y+1/4,y+1/4,1/2;-my,my,0) (-y,1/2,y;-my,0,my) (y+1/4,3/4,y;my,0,my) (3/4,-y+1/4,-y;0,-my,-my) (y+1/4,1/2,-y+1/4;my,0,-my) (-y,3/4,-y+1/4;-my,0,-my) (y,-y,1/2;my,-my,0) (-y+1/4,-y,3/4;-my,-my,0) (1/4,-y,-y+3/4;0,my,my) (0,y+1/4,-y+3/4;0,-my,my) (0,-y,y+1/2;0,my,-my) (-y,-y+3/4,1/4;my,my,0) (y+1/4,-y+3/4,0;-my,my,0) (y+1/2,0,-y;-my,0,my) (-y+3/4,1/4,-y;my,0,my) (1/4,y+1/4,y+1/2;0,-my,-my) (-y+3/4,0,y+1/4;my,0,-my) (y+1/2,1/4,y+1/4;-my,0,-my) (-y,y+1/2,0;my,-my,0) (y+1/4,y+1/2,1/4;-my,-my,0) (3/4,y,y+3/4;0,-my,-my) (1/2,-y+1/4,y+3/4;0,my,-my) (1/2,y+1/2,-y;0,-my,my) (y+1/2,y+3/4,1/4;-my,-my,0) (-y+1/4,y+3/4,1/2;my,-my,0) (-y,1/2,y+1/2;my,0,-my) (y+3/4,1/4,y+1/2;-my,0,-my) (1/4,-y+1/4,-y;0,my,my) (y+3/4,1/2,-y+1/4;-my,0,my) (-y,1/4,-y+1/4;my,0,my) (y+1/2,-y,1/2;-my,my,0) (-y+1/4,-y,1/4;my,my,0) (3/4,-y+1/2,-y+1/4;0,-my,-my) (0,y+1/4,-y+1/4;0,my,-my) (0,-y+1/2,y+1/2;0,-my,my) (-y+1/2,-y+1/4,3/4;-my,-my,0) (y+1/4,-y+1/4,0;my,-my,0) (y+1/2,0,-y+1/2;my,0,-my) (-y+1/4,3/4,-y+1/2;-my,0,-my) (3/4,y+1/4,y+1/2;0,my,my) (-y+1/4,0,y+1/4;-my,0,my) (y+1/2,3/4,y+1/4;my,0,my) (-y+1/2,y+1/2,0;-my,my,0) (y+1/4,y+1/2,3/4;my,my,0) 192h (x,5/8,7/8;0,my,mz) (x+1/4,1/8,7/8;0,-mz,my) (x+1/4,1/8,3/8;0,mz,-my) (1/8,7/8,-x;mz,my,0) (1/8,7/8,x+1/4;-mz,my,0) (3/8,x+1/4,1/8;-my,0,mz) (7/8,-x,1/8;my,0,mz) (x,5/8,3/8;0,-my,-mz) (-x+1/4,5/8,3/8;0,my,-mz) (-x+1/4,5/8,7/8;0,-my,mz) (7/8,x+1/4,1/8;my,0,-mz) (3/8,-x,1/8;-my,0,-mz) (-x,1/8,7/8;0,mz,my) (-x,1/8,3/8;0,-mz,-my) (1/8,3/8,x+1/4;mz,-my,0) (1/8,3/8,-x;-mz,-my,0) (7/8,x,5/8;mz,0,my) (5/8,7/8,x;my,mz,0) (5/8,7/8,-x+1/4;-my,mz,0) (3/8,-x+1/4,5/8;-mz,0,my) (5/8,3/8,x;-my,-mz,0) (7/8,-x+1/4,5/8;mz,0,-my) (5/8,3/8,-x+1/4;my,-mz,0) (3/8,x,5/8;-mz,0,-my) (-x,3/8,1/8;0,my,mz) (-x+1/4,7/8,5/8;0,-mz,my) (-x+1/4,3/8,5/8;0,mz,-my) (3/8,5/8,x;mz,my,0) (7/8,5/8,-x+1/4;-mz,my,0) (5/8,-x+1/4,3/8;-my,0,mz) (5/8,x,3/8;my,0,mz) (-x,7/8,1/8;0,-my,-mz) (x+1/4,3/8,1/8;0,my,-mz) (x+1/4,7/8,1/8;0,-my,mz) (5/8,-x+1/4,7/8;my,0,-mz) (5/8,x,7/8;-my,0,-mz) (x,3/8,5/8;0,mz,my) (x,7/8,5/8;0,-mz,-my) (3/8,5/8,-x+1/4;mz,-my,0) (7/8,5/8,x;-mz,-my,0) (1/8,-x,3/8;mz,0,my) (3/8,1/8,-x;my,mz,0) (7/8,1/8,x+1/4;-my,mz,0) (1/8,x+1/4,3/8;-mz,0,my) (7/8,1/8,-x;-my,-mz,0) (1/8,x+1/4,7/8;mz,0,-my) (3/8,1/8,x+1/4;my,-mz,0) (1/8,-x,7/8;-mz,0,-my) 96g (x,5/8,5/8;0,0,0) (x+1/4,3/8,7/8;0,0,0) (3/8,3/8,-x;0,0,0) (3/8,7/8,x+1/4;0,0,0) (3/8,x+1/4,7/8;0,0,0) (3/8,-x,3/8;0,0,0) (-x+1/4,5/8,5/8;0,0,0) (-x,3/8,3/8;0,0,0) (5/8,x,5/8;0,0,0) (5/8,5/8,x;0,0,0) (5/8,5/8,-x+1/4;0,0,0) (5/8,-x+1/4,5/8;0,0,0) (x,5/8,1/8;0,0,0) (x+1/4,7/8,7/8;0,0,0) (7/8,7/8,-x+1/2;0,0,0) (7/8,7/8,x+1/4;0,0,0) (7/8,x+1/4,7/8;0,0,0) (7/8,-x+1/2,7/8;0,0,0) (-x+1/4,1/8,5/8;0,0,0) (-x+1/2,7/8,7/8;0,0,0) (1/8,x+1/2,1/8;0,0,0) (1/8,1/8,x+1/2;0,0,0) (1/8,5/8,-x+1/4;0,0,0) (1/8,-x+1/4,5/8;0,0,0) 96f (3/4,5/8,7/8;0,my,my) (1/2,5/8,7/8;0,-my,my) (1/2,5/8,3/8;0,my,-my) (5/8,7/8,3/4;my,my,0) (5/8,7/8,1/2;-my,my,0) (3/8,1/2,5/8;-my,0,my) (7/8,3/4,5/8;my,0,my) (3/4,5/8,3/8;0,-my,-my) (7/8,1/2,5/8;my,0,-my) (3/8,3/4,5/8;-my,0,-my) (5/8,3/8,1/2;my,-my,0) (5/8,3/8,3/4;-my,-my,0) (1/4,3/8,1/8;0,my,my) (0,7/8,1/8;0,-my,my) (0,3/8,1/8;0,my,-my) (3/8,1/8,1/4;my,my,0) (7/8,1/8,0;-my,my,0) (1/8,0,3/8;-my,0,my) (1/8,1/4,3/8;my,0,my) (1/4,7/8,1/8;0,-my,-my) (1/8,0,7/8;my,0,-my) (1/8,1/4,7/8;-my,0,-my) (3/8,1/8,0;my,-my,0) (7/8,1/8,1/4;-my,-my,0) 64e (x,x,x;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x;0,0,0) (-x,-x,-x;0,0,0) (x,x,x+1/2;0,0,0) (x+1/4,-x+1/2,x+1/4;0,0,0) (x+1/4,x+1/4,-x+1/2;0,0,0) (-x+1/2,x+1/4,x+1/4;0,0,0) (x+1/2,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x+1/2,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x+1/2;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 48d (5/8,7/8,7/8;0,0,0) (7/8,1/8,1/8;0,0,0) (1/8,1/8,3/8;0,0,0) (1/8,1/8,7/8;0,0,0) (1/8,7/8,1/8;0,0,0) (1/8,3/8,1/8;0,0,0) (5/8,7/8,3/8;0,0,0) (3/8,1/8,1/8;0,0,0) (7/8,5/8,7/8;0,0,0) (7/8,7/8,5/8;0,0,0) (7/8,3/8,5/8;0,0,0) (7/8,5/8,3/8;0,0,0) 32c (3/4,3/4,3/4;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (1/4,0,0;0,0,0) (3/4,1/2,1/2;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) 32b (1/2,1/2,1/2;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) (1/2,3/4,3/4;0,0,0) (1/2,1/2,0;0,0,0) (3/4,0,3/4;0,0,0) (3/4,3/4,0;0,0,0) (0,3/4,3/4;0,0,0) 16a (5/8,5/8,5/8;0,0,0) (3/8,3/8,3/8;0,0,0) (5/8,5/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 224.7.1617 P_Fn-3m' UNI: 228.139 Fd-3c.1'_I[Pn-3m] BNS: 228.139 F_Sd-3c OG-BNS transformation: (3/2,3/2,0;2b,2a,-2c) Operators (OG): (1|0,0,0) (4x|3/2,1,3/2) (4x-1|3/2,3/2,1) (4y|3/2,3/2,1) (4y-1|1,3/2,3/2) (4z|1,3/2,3/2) (4z-1|3/2,1,3/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|3/2,3/2,1) (2-xy|1,1,1) (2yz|1,3/2,3/2) (2-yz|1,1,1) (2xz|3/2,1,3/2) (2-xz|1,1,1) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|3/2,1,3/2) (-4x-1|3/2,3/2,1) (-4y|3/2,3/2,1) (-4y-1|1,3/2,3/2) (-4z|1,3/2,3/2) (-4z-1|3/2,1,3/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|3/2,3/2,1) (m-xy|1,1,1) (myz|1,3/2,3/2) (m-yz|1,1,1) (mxz|3/2,1,3/2) (m-xz|1,1,1) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1,1,1)' (4x|1/2,0,1/2)' (4x-1|1/2,1/2,0)' (4y|1/2,1/2,0)' (4y-1|0,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|1,3/2,3/2)' (2y|3/2,1,3/2)' (2z|3/2,3/2,1)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2yz|0,1/2,1/2)' (2-yz|0,0,0)' (2xz|1/2,0,1/2)' (2-xz|0,0,0)' (3xyz|1,1,1)' (3xyz-1|1,1,1)' (3-xyz|3/2,1,3/2)' (3-xyz-1|3/2,3/2,1)' (3x-yz|3/2,3/2,1)' (3x-yz-1|1,3/2,3/2)' (3xy-z|1,3/2,3/2)' (3xy-z-1|3/2,1,3/2)' (-1|1,1,1)' (-4x|1/2,0,1/2)' (-4x-1|1/2,1/2,0)' (-4y|1/2,1/2,0)' (-4y-1|0,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|1,3/2,3/2)' (my|3/2,1,3/2)' (mz|3/2,3/2,1)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (myz|0,1/2,1/2)' (m-yz|0,0,0)' (mxz|1/2,0,1/2)' (m-xz|0,0,0)' (-3xyz|1,1,1)' (-3xyz-1|1,1,1)' (-3-xyz|3/2,1,3/2)' (-3-xyz-1|3/2,3/2,1)' (-3x-yz|3/2,3/2,1)' (-3x-yz-1|1,3/2,3/2)' (-3xy-z|1,3/2,3/2)' (-3xy-z-1|3/2,1,3/2)' Wyckoff positions (OG): (0,0,0)+ (0,2,0)+ (2,0,0)+ (0,0,-2)+ (1,0,-1)+ (0,1,-1)+ (1,1,0)+ 384l (x,y,z;mx,my,mz) (x+3/2,-z+1,y+3/2;mx,-mz,my) (x+3/2,z+3/2,-y+1;mx,mz,-my) (z+3/2,y+3/2,-x+1;mz,my,-mx) (-z+1,y+3/2,x+3/2;-mz,my,mx) (-y+1,x+3/2,z+3/2;-my,mx,mz) (y+3/2,-x+1,z+3/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+3/2,x+3/2,-z+1;my,mx,-mz) (-y+1,-x+1,-z+1;-my,-mx,-mz) (-x+1,z+3/2,y+3/2;-mx,mz,my) (-x+1,-z+1,-y+1;-mx,-mz,-my) (z+3/2,-y+1,x+3/2;mz,-my,mx) (-z+1,-y+1,-x+1;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+3/2,z+1,-y+3/2;mx,-mz,my) (-x+3/2,-z+3/2,y+1;mx,mz,-my) (-z+3/2,-y+3/2,x+1;mz,my,-mx) (z+1,-y+3/2,-x+3/2;-mz,my,mx) (y+1,-x+3/2,-z+3/2;-my,mx,mz) (-y+3/2,x+1,-z+3/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+3/2,-x+3/2,z+1;my,mx,-mz) (y+1,x+1,z+1;-my,-mx,-mz) (x+1,-z+3/2,-y+3/2;-mx,mz,my) (x+1,z+1,y+1;-mx,-mz,-my) (-z+3/2,y+1,-x+3/2;mz,-my,mx) (z+1,y+1,x+1;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1,y+1,z+1;-mx,-my,-mz) (x+1/2,-z,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y;-mx,-mz,my) (z+1/2,y+1/2,-x;-mz,-my,mx) (-z,y+1/2,x+1/2;mz,-my,-mx) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x+1,-y+3/2,-z+3/2;-mx,my,mz) (-x+3/2,y+1,-z+3/2;mx,-my,mz) (-x+3/2,-y+3/2,z+1;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/2,y+1/2;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/2,-y,x+1/2;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1,x+1,y+1;-mz,-mx,-my) (y+1,z+1,x+1;-my,-mz,-mx) (-y+3/2,z+1,-x+3/2;my,-mz,mx) (-z+3/2,-x+3/2,y+1;mz,mx,-my) (-y+3/2,-z+3/2,x+1;my,mz,-mx) (z+1,-x+3/2,-y+3/2;-mz,mx,my) (y+1,-z+3/2,-x+3/2;-my,mz,mx) (-z+3/2,x+1,-y+3/2;mz,-mx,my) (-x+1,-y+1,-z+1;-mx,-my,-mz) (-x+1/2,z,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y;-mx,-mz,my) (-z+1/2,-y+1/2,x;-mz,-my,mx) (z,-y+1/2,-x+1/2;mz,-my,-mx) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x+1,y+3/2,z+3/2;-mx,my,mz) (x+3/2,-y+1,z+3/2;mx,-my,mz) (x+3/2,y+3/2,-z+1;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/2,-y+1/2;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/2,y,-x+1/2;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1,-x+1,-y+1;-mz,-mx,-my) (-y+1,-z+1,-x+1;-my,-mz,-mx) (y+3/2,-z+1,x+3/2;my,-mz,mx) (z+3/2,x+3/2,-y+1;mz,mx,-my) (y+3/2,z+3/2,-x+1;my,mz,-mx) (-z+1,x+3/2,y+3/2;-mz,mx,my) (-y+1,z+3/2,x+3/2;-my,mz,mx) (z+3/2,-x+1,y+3/2;mz,-mx,my) 192k (x,x,z;mx,mx,mz) (x+3/2,-z+1,x+3/2;mx,-mz,mx) (x+3/2,z+3/2,-x+1;mx,mz,-mx) (z+3/2,x+3/2,-x+1;mz,mx,-mx) (-z+1,x+3/2,x+3/2;-mz,mx,mx) (-x+1,x+3/2,z+3/2;-mx,mx,mz) (x+3/2,-x+1,z+3/2;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x+3/2,x+3/2,-z+1;mx,mx,-mz) (-x+1,-x+1,-z+1;-mx,-mx,-mz) (-x+1,z+3/2,x+3/2;-mx,mz,mx) (-x+1,-z+1,-x+1;-mx,-mz,-mx) (z+3/2,-x+1,x+3/2;mz,-mx,mx) (-z+1,-x+1,-x+1;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/2,z,-x+1/2;-mx,mz,-mx) (-z+1/2,-x+1/2,x;-mz,-mx,mx) (-x+1/2,-z+1/2,x;-mx,-mz,mx) (z,-x+1/2,-x+1/2;mz,-mx,-mx) (x,-z+1/2,-x+1/2;mx,-mz,-mx) (-z+1/2,x,-x+1/2;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x+3/2,z+1,-x+3/2;mx,-mz,mx) (-x+3/2,-z+3/2,x+1;mx,mz,-mx) (-z+3/2,-x+3/2,x+1;mz,mx,-mx) (z+1,-x+3/2,-x+3/2;-mz,mx,mx) (x+1,-x+3/2,-z+3/2;-mx,mx,mz) (-x+3/2,x+1,-z+3/2;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x+3/2,-x+3/2,z+1;mx,mx,-mz) (x+1,x+1,z+1;-mx,-mx,-mz) (x+1,-z+3/2,-x+3/2;-mx,mz,mx) (x+1,z+1,x+1;-mx,-mz,-mx) (-z+3/2,x+1,-x+3/2;mz,-mx,mx) (z+1,x+1,x+1;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x+1/2,-z,x+1/2;-mx,mz,-mx) (z+1/2,x+1/2,-x;-mz,-mx,mx) (x+1/2,z+1/2,-x;-mx,-mz,mx) (-z,x+1/2,x+1/2;mz,-mx,-mx) (-x,z+1/2,x+1/2;mx,-mz,-mx) (z+1/2,-x,x+1/2;-mz,mx,-mx) 192j (1/2,y,-y;0,my,-my) (0,y,y+1/2;0,my,my) (0,-y+1/2,-y;0,-my,-my) (-y+1/2,y+1/2,1/2;-my,my,0) (y,y+1/2,0;my,my,0) (-y,0,-y+1/2;-my,0,-my) (y+1/2,1/2,-y+1/2;my,0,-my) (1/2,-y+1/2,y+1/2;0,-my,my) (y+1/2,0,y;my,0,my) (-y,1/2,y;-my,0,my) (-y+1/2,-y,0;-my,-my,0) (y,-y,1/2;my,-my,0) (-1/2,-y,y;0,my,-my) (1,-y,-y+1/2;0,my,my) (1,y+1/2,y;0,-my,-my) (y+1/2,-y+1/2,-1/2;-my,my,0) (-y,-y+1/2,1;my,my,0) (y,1,y+1/2;-my,0,-my) (-y+1/2,-1/2,y+1/2;my,0,-my) (-1/2,y+1/2,-y+1/2;0,-my,my) (-y+1/2,1,-y;my,0,my) (y,-1/2,-y;-my,0,my) (y+1/2,y,1;-my,-my,0) (-y,y,-1/2;my,-my,0) (3/2,y+1,-y+1;0,-my,my) (1,y+1,y+3/2;0,-my,-my) (1,-y+3/2,-y+1;0,my,my) (-y+3/2,y+3/2,3/2;my,-my,0) (y+1,y+3/2,1;-my,-my,0) (-y+1,1,-y+3/2;my,0,my) (y+3/2,3/2,-y+3/2;-my,0,my) (3/2,-y+3/2,y+3/2;0,my,-my) (y+3/2,1,y+1;-my,0,-my) (-y+1,3/2,y+1;my,0,-my) (-y+3/2,-y+1,1;my,my,0) (y+1,-y+1,3/2;-my,my,0) (1/2,-y+1,y+1;0,-my,my) (2,-y+1,-y+3/2;0,-my,-my) (2,y+3/2,y+1;0,my,my) (y+3/2,-y+3/2,1/2;my,-my,0) (-y+1,-y+3/2,2;-my,-my,0) (y+1,2,y+3/2;my,0,my) (-y+3/2,1/2,y+3/2;-my,0,my) (1/2,y+3/2,-y+3/2;0,my,-my) (-y+3/2,2,-y+1;-my,0,-my) (y+1,1/2,-y+1;my,0,-my) (y+3/2,y+1,2;my,my,0) (-y+1,y+1,1/2;-my,my,0) 192i (1/2,y,y+1/2;mx,my,-my) (2,-y+1/2,y+3/2;mx,my,my) (2,y+2,-y+1;mx,-my,-my) (y+2,y+3/2,1/2;-my,my,-mx) (-y+1/2,y+3/2,2;my,my,mx) (-y+1,2,y+2;-my,mx,-my) (y+3/2,1/2,y+2;my,-mx,-my) (1/2,-y+1/2,-y;mx,-my,my) (0,y,-y;-mx,my,my) (0,-y+1/2,y+1/2;-mx,-my,-my) (y+3/2,2,-y+1/2;my,mx,my) (-y+1,1/2,-y+1/2;-my,-mx,my) (1/2,y+2,y+3/2;-mx,-my,my) (1/2,-y+1/2,-y+1;-mx,my,-my) (y+2,-y+1,2;-my,-my,mx) (-y+1/2,-y+1,1/2;my,-my,-mx) (y+1/2,1/2,y;-my,mx,my) (y,y+1/2,1/2;my,-my,mx) (-y+1/2,y+1/2,0;-my,-my,-mx) (-y,0,y;my,-mx,my) (-y+1/2,-y,1/2;-my,my,mx) (y+1/2,0,-y+1/2;-my,-mx,-my) (y,-y,0;my,my,-mx) (-y,1/2,-y+1/2;my,mx,-my) (-1/2,-y,-y-1/2;mx,my,-my) (1,y+3/2,-y+3/2;mx,my,my) (1,-y+1,y+1;mx,-my,-my) (-y+1,-y+3/2,3/2;-my,my,-mx) (y+3/2,-y+3/2,1;my,my,mx) (y+1,1,-y+1;-my,mx,-my) (-y+3/2,3/2,-y+1;my,-mx,-my) (-1/2,y+1/2,y+1;mx,-my,my) (1,-y,y+1;-mx,my,my) (1,y+1/2,-y-1/2;-mx,-my,-my) (-y+3/2,1,y+3/2;my,mx,my) (y+1,3/2,y+3/2;-my,-mx,my) (3/2,-y+1,-y+3/2;-mx,-my,my) (3/2,y+3/2,y+1;-mx,my,-my) (-y+1,y+1,1;-my,-my,mx) (y+3/2,y+1,3/2;my,-my,-mx) (-y-1/2,-1/2,-y;-my,mx,my) (-y,-y-1/2,-1/2;my,-my,mx) (y+1/2,-y-1/2,1;-my,-my,-mx) (y+1,1,-y;my,-mx,my) (y+1/2,y+1,-1/2;-my,my,mx) (-y-1/2,1,y+1/2;-my,-mx,-my) (-y,y+1,1;my,my,-mx) (y+1,-1/2,y+1/2;my,mx,-my) 192h (x,1/4,3/4;0,my,mz) (x+3/2,1/4,7/4;0,-mz,my) (x+3/2,9/4,3/4;0,mz,-my) (9/4,7/4,-x+1;mz,my,0) (1/4,7/4,x+3/2;-mz,my,0) (3/4,x+3/2,9/4;-my,0,mz) (7/4,-x+1,9/4;my,0,mz) (x,1/4,-1/4;0,-my,-mz) (-x+1/2,1/4,-1/4;0,my,-mz) (-x+1/2,1/4,3/4;0,-my,mz) (7/4,x+3/2,1/4;my,0,-mz) (3/4,-x+1,1/4;-my,0,-mz) (-x+1,9/4,7/4;0,mz,my) (-x+1,1/4,3/4;0,-mz,-my) (9/4,3/4,x+3/2;mz,-my,0) (1/4,3/4,-x+1;-mz,-my,0) (3/4,x,1/4;mz,0,my) (1/4,3/4,x;my,mz,0) (1/4,3/4,-x+1/2;-my,mz,0) (-1/4,-x+1/2,1/4;-mz,0,my) (1/4,-1/4,x;-my,-mz,0) (3/4,-x+1/2,1/4;mz,0,-my) (1/4,-1/4,-x+1/2;my,-mz,0) (-1/4,x,1/4;-mz,0,-my) (-x,-1/4,-3/4;0,my,mz) (-x+3/2,7/4,5/4;0,-mz,my) (-x+3/2,3/4,5/4;0,mz,-my) (3/4,5/4,x+1;mz,my,0) (7/4,5/4,-x+3/2;-mz,my,0) (5/4,-x+3/2,3/4;-my,0,mz) (5/4,x+1,3/4;my,0,mz) (-x,3/4,5/4;0,-my,-mz) (x+1/2,-1/4,5/4;0,my,-mz) (x+1/2,3/4,-3/4;0,-my,mz) (5/4,-x+3/2,7/4;my,0,-mz) (5/4,x+1,7/4;-my,0,-mz) (x+1,3/4,5/4;0,mz,my) (x+1,7/4,5/4;0,-mz,-my) (3/4,5/4,-x+3/2;mz,-my,0) (7/4,5/4,x+1;-mz,-my,0) (-3/4,-x,-1/4;mz,0,my) (-1/4,-3/4,-x;my,mz,0) (3/4,-3/4,x+1/2;-my,mz,0) (5/4,x+1/2,-1/4;-mz,0,my) (3/4,5/4,-x;-my,-mz,0) (-3/4,x+1/2,3/4;mz,0,-my) (-1/4,5/4,x+1/2;my,-mz,0) (5/4,-x,3/4;-mz,0,-my) 96g (x,1/4,1/4;mx,0,0) (x+3/2,7/4,3/4;mx,0,0) (3/4,3/4,-x+1;0,0,-mx) (7/4,3/4,x+3/2;0,0,mx) (3/4,x+3/2,7/4;0,mx,0) (3/4,-x+1,3/4;0,-mx,0) (-x+1/2,1/4,1/4;-mx,0,0) (-x+1,7/4,7/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,1/4;0,-mx,0) (-x,-1/4,-1/4;mx,0,0) (-x+3/2,5/4,5/4;mx,0,0) (5/4,5/4,x+1;0,0,-mx) (5/4,5/4,-x+3/2;0,0,mx) (5/4,-x+3/2,5/4;0,mx,0) (5/4,x+1,5/4;0,-mx,0) (x+1/2,-1/4,3/4;-mx,0,0) (x+1,5/4,5/4;-mx,0,0) (3/4,-x,3/4;0,mx,0) (3/4,3/4,-x;0,0,mx) (-1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,-1/4;0,-mx,0) 96f (1/2,1/4,3/4;0,my,-my) (0,1/4,-1/4;0,my,my) (0,1/4,3/4;0,-my,-my) (1/4,-1/4,1/2;-my,my,0) (1/4,-1/4,0;my,my,0) (3/4,0,1/4;-my,0,-my) (-1/4,1/2,1/4;my,0,-my) (1/2,1/4,-1/4;0,-my,my) (-1/4,0,1/4;my,0,my) (3/4,1/2,1/4;-my,0,my) (1/4,3/4,0;-my,-my,0) (1/4,3/4,1/2;my,-my,0) (-1/2,-1/4,-3/4;0,my,-my) (1,-1/4,5/4;0,my,my) (1,3/4,-3/4;0,-my,-my) (3/4,5/4,-1/2;-my,my,0) (-1/4,5/4,1;my,my,0) (-3/4,1,3/4;-my,0,-my) (5/4,-1/2,3/4;my,0,-my) (-1/2,3/4,5/4;0,-my,my) (5/4,1,-1/4;my,0,my) (-3/4,-1/2,-1/4;-my,0,my) (3/4,-3/4,1;-my,-my,0) (-1/4,-3/4,-1/2;my,-my,0) 64e (x,x,x;mx,mx,mx) (x+3/2,-x+1,x+3/2;mx,-mx,mx) (x+3/2,x+3/2,-x+1;mx,mx,-mx) (-x+1,x+3/2,x+3/2;-mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1,-x+1,-x+1;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+3/2,x+1,-x+3/2;mx,-mx,mx) (-x+3/2,-x+3/2,x+1;mx,mx,-mx) (x+1,-x+3/2,-x+3/2;-mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1,x+1,x+1;-mx,-mx,-mx) 48d (1/4,3/4,3/4;mx,0,0) (7/4,9/4,1/4;mx,0,0) (1/4,1/4,3/4;0,0,-mx) (9/4,1/4,7/4;0,0,mx) (1/4,7/4,9/4;0,mx,0) (1/4,3/4,1/4;0,-mx,0) (1/4,3/4,-1/4;-mx,0,0) (3/4,9/4,9/4;-mx,0,0) (-1/4,1/4,-1/4;0,mx,0) (-1/4,-1/4,1/4;0,0,mx) (3/4,-1/4,1/4;0,0,-mx) (-1/4,1/4,3/4;0,-mx,0) 32c (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (-1/2,-1/2,-1/2;0,0,0) (1,-1/2,1;0,0,0) (1,1,-1/2;0,0,0) (-1/2,1,1;0,0,0) 32b (0,0,0;mx,mx,mx) (3/2,1,3/2;mx,-mx,mx) (3/2,3/2,1;mx,mx,-mx) (1,3/2,3/2;-mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1,1,1;-mx,-mx,-mx) 16a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (5/4,5/4,5/4;0,0,0) Operators (BNS): (1|0,0,0) (4y|1/4,1/4,1/2) (4y-1|1/2,1/4,1/4) (4x|1/4,1/2,1/4) (4x-1|1/4,1/4,1/2) (4z-1|1/4,1/2,1/4) (4z|1/2,1/4,1/4) (2y|1/4,0,1/4) (2x|0,1/4,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2) (2-xy|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (2xz|1/4,1/2,1/4) (2-yz|1/2,1/2,1/2) (2yz|1/2,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3-xyz|1/4,0,1/4) (3x-yz-1|0,1/4,1/4) (3x-yz|1/4,1/4,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (-1|0,0,0) (-4y|1/4,1/4,1/2) (-4y-1|1/2,1/4,1/4) (-4x|1/4,1/2,1/4) (-4x-1|1/4,1/4,1/2) (-4z-1|1/4,1/2,1/4) (-4z|1/2,1/4,1/4) (my|1/4,0,1/4) (mx|0,1/4,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,1/2) (m-xy|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (mxz|1/4,1/2,1/4) (m-yz|1/2,1/2,1/2) (myz|1/2,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3-xyz|1/4,0,1/4) (-3x-yz-1|0,1/4,1/4) (-3x-yz|1/4,1/4,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (1|0,0,1/2)' (4y|1/4,1/4,0)' (4y-1|0,1/4,1/4)' (4x|1/4,0,1/4)' (4x-1|1/4,1/4,0)' (4z-1|1/4,0,1/4)' (4z|0,1/4,1/4)' (2y|1/4,1/2,1/4)' (2x|1/2,1/4,1/4)' (2z|1/4,1/4,1/2)' (2xy|1/4,1/4,0)' (2-xy|0,0,0)' (2-xz|0,0,0)' (2xz|1/4,0,1/4)' (2-yz|0,0,0)' (2yz|0,1/4,1/4)' (3xy-z|1/2,1/4,1/4)' (3xy-z-1|1/4,1/2,1/4)' (3-xyz-1|1/4,1/4,1/2)' (3-xyz|1/4,1/2,1/4)' (3x-yz-1|1/2,1/4,1/4)' (3x-yz|1/4,1/4,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4y|1/4,1/4,0)' (-4y-1|0,1/4,1/4)' (-4x|1/4,0,1/4)' (-4x-1|1/4,1/4,0)' (-4z-1|1/4,0,1/4)' (-4z|0,1/4,1/4)' (my|1/4,1/2,1/4)' (mx|1/2,1/4,1/4)' (mz|1/4,1/4,1/2)' (mxy|1/4,1/4,0)' (m-xy|0,0,0)' (m-xz|0,0,0)' (mxz|1/4,0,1/4)' (m-yz|0,0,0)' (myz|0,1/4,1/4)' (-3xy-z|1/2,1/4,1/4)' (-3xy-z-1|1/4,1/2,1/4)' (-3-xyz-1|1/4,1/4,1/2)' (-3-xyz|1/4,1/2,1/4)' (-3x-yz-1|1/2,1/4,1/4)' (-3x-yz|1/4,1/4,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' Wyckoff positions (BNS): (0,0,0)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 384l (x,y,z;mx,my,mz) (z+1/4,y+1/4,-x+1/2;mz,my,-mx) (-z+1/2,y+1/4,x+1/4;-mz,my,mx) (x+1/4,-z+1/2,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y+1/2;mx,mz,-my) (y+1/4,-x+1/2,z+1/4;my,-mx,mz) (-y+1/2,x+1/4,z+1/4;-my,mx,mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z+1/4,-y+1/2,x+1/4;mz,-my,mx) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (-x+1/2,z+1/4,y+1/4;-mx,mz,my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,z,-x+1/4;-my,mz,-mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-x,-y,-z;mx,my,mz) (-z+1/4,-y+1/4,x+1/2;mz,my,-mx) (z+1/2,-y+1/4,-x+1/4;-mz,my,mx) (-x+1/4,z+1/2,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y+1/2;mx,mz,-my) (-y+1/4,x+1/2,-z+1/4;my,-mx,mz) (y+1/2,-x+1/4,-z+1/4;-my,mx,mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z+1/4,y+1/2,-x+1/4;mz,-my,mx) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (x+1/2,-z+1/4,-y+1/4;-mx,mz,my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,-z,x+1/4;-my,mz,-mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (x,y,z+1/2;-mx,-my,-mz) (z+1/4,y+1/4,-x;-mz,-my,mx) (-z,y+1/4,x+1/4;mz,-my,-mx) (x+1/4,-z,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y;-mx,-mz,my) (y+1/4,-x,z+1/4;-my,mx,-mz) (-y,x+1/4,z+1/4;my,-mx,-mz) (-x+1/4,y+1/2,-z+1/4;mx,-my,mz) (x+1/2,-y+1/4,-z+1/4;-mx,my,mz) (-x+1/4,-y+1/4,z+1/2;mx,my,-mz) (y+1/4,x+1/4,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-z,-y,-x;mz,my,mx) (z+1/4,-y,x+1/4;-mz,my,-mx) (-x,-z,-y;mx,mz,my) (-x,z+1/4,y+1/4;mx,-mz,-my) (y+1/2,-z+1/4,-x+1/4;-my,mz,mx) (-z+1/4,x+1/2,-y+1/4;mz,-mx,my) (-z+1/4,-x+1/4,y+1/2;mz,mx,-my) (-y+1/4,z+1/2,-x+1/4;my,-mz,mx) (z+1/2,-x+1/4,-y+1/4;-mz,mx,my) (-y+1/4,-z+1/4,x+1/2;my,mz,-mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-z+1/4,-y+1/4,x;-mz,-my,mx) (z,-y+1/4,-x+1/4;mz,-my,-mx) (-x+1/4,z,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y;-mx,-mz,my) (-y+1/4,x,-z+1/4;-my,mx,-mz) (y,-x+1/4,-z+1/4;my,-mx,-mz) (x+1/4,-y+1/2,z+1/4;mx,-my,mz) (-x+1/2,y+1/4,z+1/4;-mx,my,mz) (x+1/4,y+1/4,-z+1/2;mx,my,-mz) (-y+1/4,-x+1/4,z;-my,-mx,mz) (y,x,z;my,mx,mz) (z,y,x;mz,my,mx) (-z+1/4,y,-x+1/4;-mz,my,-mx) (x,z,y;mx,mz,my) (x,-z+1/4,-y+1/4;mx,-mz,-my) (-y+1/2,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x+1/2,y+1/4;mz,-mx,my) (z+1/4,x+1/4,-y+1/2;mz,mx,-my) (y+1/4,-z+1/2,x+1/4;my,-mz,mx) (-z+1/2,x+1/4,y+1/4;-mz,mx,my) (y+1/4,z+1/4,-x+1/2;my,mz,-mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) 192k (x,x,z;mx,mx,mz) (z+1/4,x+1/4,-x+1/2;mz,mx,-mx) (-z+1/2,x+1/4,x+1/4;-mz,mx,mx) (x+1/4,-z+1/2,x+1/4;mx,-mz,mx) (x+1/4,z+1/4,-x+1/2;mx,mz,-mx) (x+1/4,-x+1/2,z+1/4;mx,-mx,mz) (-x+1/2,x+1/4,z+1/4;-mx,mx,mz) (-x+1/4,x,-z+1/4;-mx,mx,-mz) (x,-x+1/4,-z+1/4;mx,-mx,-mz) (-x+1/4,-x+1/4,z;-mx,-mx,mz) (x+1/4,x+1/4,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-z+1/2,-x+1/2,-x+1/2;-mz,-mx,-mx) (z+1/4,-x+1/2,x+1/4;mz,-mx,mx) (-x+1/2,-z+1/2,-x+1/2;-mx,-mz,-mx) (-x+1/2,z+1/4,x+1/4;-mx,mz,mx) (x,-z+1/4,-x+1/4;mx,-mz,-mx) (-z+1/4,x,-x+1/4;-mz,mx,-mx) (-z+1/4,-x+1/4,x;-mz,-mx,mx) (-x+1/4,z,-x+1/4;-mx,mz,-mx) (z,-x+1/4,-x+1/4;mz,-mx,-mx) (-x+1/4,-z+1/4,x;-mx,-mz,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,-x,-z;mx,mx,mz) (-z+1/4,-x+1/4,x+1/2;mz,mx,-mx) (z+1/2,-x+1/4,-x+1/4;-mz,mx,mx) (-x+1/4,z+1/2,-x+1/4;mx,-mz,mx) (-x+1/4,-z+1/4,x+1/2;mx,mz,-mx) (-x+1/4,x+1/2,-z+1/4;mx,-mx,mz) (x+1/2,-x+1/4,-z+1/4;-mx,mx,mz) (x+1/4,-x,z+1/4;-mx,mx,-mz) (-x,x+1/4,z+1/4;mx,-mx,-mz) (x+1/4,x+1/4,-z;-mx,-mx,mz) (-x+1/4,-x+1/4,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z+1/4,x+1/2,-x+1/4;mz,-mx,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (x+1/2,-z+1/4,-x+1/4;-mx,mz,mx) (-x,z+1/4,x+1/4;mx,-mz,-mx) (z+1/4,-x,x+1/4;-mz,mx,-mx) (z+1/4,x+1/4,-x;-mz,-mx,mx) (x+1/4,-z,x+1/4;-mx,mz,-mx) (-z,x+1/4,x+1/4;mz,-mx,-mx) (x+1/4,z+1/4,-x;-mx,-mz,mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) 192j (x,1/2,x+3/4;mx,0,mx) (x,3/4,-x+1/2;mx,0,-mx) (-x+1/4,3/4,x+3/4;-mx,0,mx) (x+3/4,-x+1/4,3/4;mx,-mx,0) (x+3/4,x,1/2;mx,mx,0) (3/4,-x+1/2,x;0,-mx,mx) (1/2,x+3/4,x;0,mx,mx) (-x+1/4,1/2,-x+1/2;-mx,0,-mx) (3/4,x+3/4,-x+1/4;0,mx,-mx) (1/2,-x+1/2,-x+1/4;0,-mx,-mx) (-x+1/2,-x+1/4,1/2;-mx,-mx,0) (-x+1/2,x,3/4;-mx,mx,0) (-x,1/2,-x+1/4;mx,0,mx) (-x,3/4,x;mx,0,-mx) (x+1/4,3/4,-x+1/4;-mx,0,mx) (-x+1/4,x+1/4,3/4;mx,-mx,0) (-x+1/4,-x,1/2;mx,mx,0) (3/4,x,-x;0,-mx,mx) (1/2,-x+1/4,-x;0,mx,mx) (x+1/4,1/2,x;-mx,0,-mx) (3/4,-x+1/4,x+1/4;0,mx,-mx) (1/2,x,x+1/4;0,-mx,-mx) (x,x+1/4,1/2;-mx,-mx,0) (x,-x,3/4;-mx,mx,0) (x,1/2,x+1/4;-mx,0,-mx) (x+1/2,3/4,-x+1/2;-mx,0,mx) (-x+1/4,3/4,x+1/4;mx,0,-mx) (x+1/4,-x+1/4,3/4;-mx,mx,0) (x+1/4,x+1/2,0;-mx,-mx,0) (3/4,-x+1/2,x+1/2;0,mx,-mx) (0,x+1/4,x+1/2;0,-mx,-mx) (-x+1/4,0,-x+1/2;mx,0,mx) (3/4,x+1/4,-x+1/4;0,-mx,mx) (0,-x+1/2,-x+1/4;0,mx,mx) (-x+1/2,-x+1/4,0;mx,mx,0) (-x+1/2,x+1/2,3/4;mx,-mx,0) (-x+1/2,0,-x+3/4;-mx,0,-mx) (-x+1/2,3/4,x;-mx,0,mx) (x+1/4,3/4,-x+3/4;mx,0,-mx) (-x+3/4,x+1/4,3/4;-mx,mx,0) (-x+3/4,-x+1/2,0;-mx,-mx,0) (3/4,x,-x+1/2;0,mx,-mx) (0,-x+3/4,-x+1/2;0,-mx,-mx) (x+1/4,0,x;mx,0,mx) (3/4,-x+3/4,x+1/4;0,-mx,mx) (0,x,x+1/4;0,mx,mx) (x,x+1/4,0;mx,mx,0) (x,-x+1/2,3/4;mx,-mx,0) 192i (x,1/2,-x;mx,my,mx) (-x+1/4,3/4,-x+1/2;mx,my,-mx) (x+1/2,3/4,x+1/4;-mx,my,mx) (x+1/4,x+1/2,3/4;mx,-mx,my) (x+1/4,-x+1/4,0;mx,mx,-my) (3/4,-x+1/2,-x+1/4;my,-mx,mx) (0,x+1/4,-x+1/4;-my,mx,mx) (-x+1/4,1/2,x+1/4;-mx,my,-mx) (x,3/4,x+1/4;mx,-my,-mx) (-x+1/4,3/4,-x;-mx,-my,mx) (3/4,x+1/4,x+1/2;my,mx,-mx) (0,-x+1/2,x+1/2;-my,-mx,-mx) (x+1/2,0,-x+1/2;-mx,-my,-mx) (-x+1/4,0,x+1/4;mx,-my,mx) (-x+1/2,x+1/2,0;-mx,-mx,-my) (-x+1/2,-x+1/4,3/4;-mx,mx,my) (1/2,x+1/4,-x+1/4;my,-mx,-mx) (x+1/4,x,3/4;-mx,mx,-my) (x+1/4,-x+1/4,1/2;-mx,-mx,my) (3/4,-x,-x+1/4;-my,mx,-mx) (-x,-x+1/4,3/4;mx,-mx,-my) (3/4,x+1/4,x;-my,-mx,mx) (-x,x,1/2;mx,mx,my) (1/2,-x,x;my,mx,mx) (-x,1/2,x;mx,my,mx) (x+1/4,3/4,x+1/2;mx,my,-mx) (-x+1/2,3/4,-x+1/4;-mx,my,mx) (-x+1/4,-x+1/2,3/4;mx,-mx,my) (-x+1/4,x+1/4,0;mx,mx,-my) (3/4,x+1/2,x+1/4;my,-mx,mx) (0,-x+1/4,x+1/4;-my,mx,mx) (x+1/4,1/2,-x+1/4;-mx,my,-mx) (-x,3/4,-x+1/4;mx,-my,-mx) (x+1/4,3/4,x;-mx,-my,mx) (3/4,-x+1/4,-x+1/2;my,mx,-mx) (0,x+1/2,-x+1/2;-my,-mx,-mx) (-x+1/2,0,x+1/2;-mx,-my,-mx) (x+1/4,0,-x+1/4;mx,-my,mx) (x+1/2,-x+1/2,0;-mx,-mx,-my) (x+1/2,x+1/4,3/4;-mx,mx,my) (1/2,-x+1/4,x+1/4;my,-mx,-mx) (-x+1/4,-x,3/4;-mx,mx,-my) (-x+1/4,x+1/4,1/2;-mx,-mx,my) (3/4,x,x+1/4;-my,mx,-mx) (x,x+1/4,3/4;mx,-mx,-my) (3/4,-x+1/4,-x;-my,-mx,mx) (x,-x,1/2;mx,mx,my) (1/2,x,-x;my,mx,mx) 192h (3/8,y,5/8;mx,0,mz) (7/8,y+1/4,1/8;mz,0,-mx) (7/8,y+1/4,5/8;-mz,0,mx) (5/8,7/8,y+1/4;mx,-mz,0) (5/8,7/8,-y+1/2;mx,mz,0) (y+1/4,1/8,7/8;0,-mx,mz) (-y+1/2,5/8,7/8;0,mx,mz) (7/8,y,5/8;-mx,0,-mz) (3/8,-y+1/4,5/8;mx,0,-mz) (7/8,-y+1/4,5/8;-mx,0,mz) (y+1/4,5/8,7/8;0,mx,-mz) (-y+1/2,1/8,7/8;0,-mx,-mz) (7/8,-y+1/2,1/8;-mz,0,-mx) (7/8,-y+1/2,5/8;mz,0,mx) (1/8,7/8,-y+1/2;-mx,-mz,0) (1/8,7/8,y+1/4;-mx,mz,0) (y,5/8,7/8;0,-mz,-mx) (5/8,3/8,-y+1/4;-mz,mx,0) (5/8,7/8,y;-mz,-mx,0) (-y+1/4,5/8,7/8;0,mz,-mx) (5/8,7/8,-y+1/4;mz,-mx,0) (-y+1/4,5/8,3/8;0,-mz,mx) (5/8,3/8,y;mz,mx,0) (y,5/8,3/8;0,mz,mx) (5/8,-y,3/8;mx,0,mz) (5/8,-y+1/4,7/8;mz,0,-mx) (1/8,-y+1/4,7/8;-mz,0,mx) (7/8,1/8,-y+1/4;mx,-mz,0) (7/8,5/8,y+1/2;mx,mz,0) (-y+1/4,7/8,5/8;0,-mx,mz) (y+1/2,7/8,5/8;0,mx,mz) (5/8,-y,7/8;-mx,0,-mz) (5/8,y+1/4,7/8;mx,0,-mz) (5/8,y+1/4,3/8;-mx,0,mz) (-y+1/4,7/8,1/8;0,mx,-mz) (y+1/2,7/8,1/8;0,-mx,-mz) (1/8,y+1/2,7/8;-mz,0,-mx) (5/8,y+1/2,7/8;mz,0,mx) (7/8,1/8,y+1/2;-mx,-mz,0) (7/8,5/8,-y+1/4;-mx,mz,0) (-y,7/8,5/8;0,-mz,-mx) (7/8,5/8,y+1/4;-mz,mx,0) (7/8,5/8,-y;-mz,-mx,0) (y+1/4,3/8,5/8;0,mz,-mx) (3/8,5/8,y+1/4;mz,-mx,0) (y+1/4,7/8,5/8;0,-mz,mx) (3/8,5/8,-y;mz,mx,0) (-y,3/8,5/8;0,mz,mx) 96g (3/8,y,7/8;0,my,0) (5/8,y+1/4,5/8;0,my,0) (1/8,1/8,y+1/4;0,0,my) (1/8,5/8,-y+1/2;0,0,-my) (y+1/4,1/8,1/8;my,0,0) (-y+1/2,1/8,5/8;-my,0,0) (3/8,-y+1/4,3/8;0,-my,0) (5/8,-y+1/2,1/8;0,-my,0) (y,7/8,3/8;my,0,0) (7/8,7/8,-y+1/4;0,0,-my) (7/8,3/8,y;0,0,my) (-y+1/4,7/8,7/8;-my,0,0) (5/8,-y,1/8;0,my,0) (3/8,-y+1/4,7/8;0,my,0) (7/8,3/8,-y+1/4;0,0,my) (7/8,3/8,y+1/2;0,0,-my) (-y+1/4,7/8,3/8;my,0,0) (y+1/2,7/8,3/8;-my,0,0) (5/8,y+1/4,1/8;0,-my,0) (3/8,y+1/2,7/8;0,-my,0) (-y,1/8,5/8;my,0,0) (1/8,5/8,y+1/4;0,0,-my) (1/8,5/8,-y;0,0,my) (y+1/4,1/8,5/8;-my,0,0) 96f (3/8,1/2,5/8;mx,0,mx) (3/8,3/4,5/8;mx,0,-mx) (7/8,3/4,5/8;-mx,0,mx) (5/8,7/8,3/4;mx,-mx,0) (5/8,3/8,1/2;mx,mx,0) (3/4,5/8,3/8;0,-mx,mx) (1/2,5/8,3/8;0,mx,mx) (7/8,1/2,5/8;-mx,0,-mx) (3/4,5/8,7/8;0,mx,-mx) (1/2,5/8,7/8;0,-mx,-mx) (5/8,7/8,1/2;-mx,-mx,0) (5/8,3/8,3/4;-mx,mx,0) (5/8,1/2,3/8;mx,0,mx) (5/8,3/4,7/8;mx,0,-mx) (5/8,3/4,3/8;-mx,0,mx) (3/8,5/8,3/4;mx,-mx,0) (3/8,5/8,1/2;mx,mx,0) (3/4,7/8,5/8;0,-mx,mx) (1/2,3/8,5/8;0,mx,mx) (5/8,1/2,7/8;-mx,0,-mx) (3/4,3/8,5/8;0,mx,-mx) (1/2,7/8,5/8;0,-mx,-mx) (7/8,5/8,1/2;-mx,-mx,0) (7/8,5/8,3/4;-mx,mx,0) 64e (x,x,-x+1/4;mx,mx,-mx) (-x+1/2,x+1/4,-x+1/2;-mx,mx,-mx) (x+1/4,x+1/4,x+1/4;mx,mx,mx) (x+1/4,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/4,x,x;-mx,mx,mx) (x,-x+1/4,x;mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (-x+1/2,-x+1/2,x+1/4;-mx,-mx,mx) (-x,-x,x+3/4;mx,mx,-mx) (x+1/2,-x+1/4,x;-mx,mx,-mx) (-x+1/4,-x+1/4,-x+3/4;mx,mx,mx) (-x+1/4,x+1/2,x;mx,-mx,-mx) (x+1/4,-x,-x+1/2;-mx,mx,mx) (-x,x+1/4,-x+1/2;mx,-mx,mx) (x+1/4,x+1/4,x+3/4;-mx,-mx,-mx) (x+1/2,x+1/2,-x+3/4;-mx,-mx,mx) 48d (5/8,3/8,5/8;0,my,0) (7/8,5/8,7/8;0,my,0) (7/8,7/8,5/8;0,0,my) (7/8,7/8,1/8;0,0,-my) (5/8,7/8,7/8;my,0,0) (1/8,7/8,7/8;-my,0,0) (5/8,7/8,5/8;0,-my,0) (7/8,1/8,7/8;0,-my,0) (3/8,5/8,5/8;my,0,0) (5/8,5/8,7/8;0,0,-my) (5/8,5/8,3/8;0,0,my) (7/8,5/8,5/8;-my,0,0) 32c (1/2,1/2,3/4;0,0,0) (1/2,3/4,1/2;0,0,0) (3/4,3/4,3/4;0,0,0) (3/4,1/2,1/2;0,0,0) (1/2,1/2,1/4;0,0,0) (1/2,3/4,0;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/2,0;0,0,0) 32b (1/4,1/4,0;mx,mx,-mx) (1/4,1/2,1/4;-mx,mx,-mx) (1/2,1/2,1/2;mx,mx,mx) (1/2,1/4,1/4;mx,-mx,-mx) (0,1/4,1/4;-mx,mx,mx) (1/4,0,1/4;mx,-mx,mx) (0,0,0;-mx,-mx,-mx) (1/4,1/4,1/2;-mx,-mx,mx) 16a (3/8,3/8,7/8;0,0,0) (1/8,1/8,5/8;0,0,0) (5/8,5/8,1/8;0,0,0) (7/8,7/8,3/8;0,0,0) ---------- OG: 225.1.1618 Fm-3m UNI: 225.116 Fm-3m.1 BNS: 225.116 Fm-3m Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 96k (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 96j (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 48i (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 48h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 48g (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 32f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 225.2.1619 Fm-3m1' UNI: 225.117 Fm-3m.1' BNS: 225.117 Fm-3m1' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 96k (x,x,z;0,0,0) (x,-z,x;0,0,0) (x,z,-x;0,0,0) (z,x,-x;0,0,0) (-z,x,x;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) (-x,z,x;0,0,0) (-x,-z,-x;0,0,0) (z,-x,x;0,0,0) (-z,-x,-x;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 96j (0,y,z;0,0,0) (0,-z,y;0,0,0) (0,z,-y;0,0,0) (z,y,0;0,0,0) (-z,y,0;0,0,0) (-y,0,z;0,0,0) (y,0,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y,0,-z;0,0,0) (-y,0,-z;0,0,0) (0,z,y;0,0,0) (0,-z,-y;0,0,0) (z,-y,0;0,0,0) (-z,-y,0;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 48i (1/2,y,y;0,0,0) (1/2,-y,y;0,0,0) (1/2,y,-y;0,0,0) (y,y,1/2;0,0,0) (-y,y,1/2;0,0,0) (-y,1/2,y;0,0,0) (y,1/2,y;0,0,0) (1/2,-y,-y;0,0,0) (y,1/2,-y;0,0,0) (-y,1/2,-y;0,0,0) (y,-y,1/2;0,0,0) (-y,-y,1/2;0,0,0) 48h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 48g (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 32f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 225.3.1620 Fm'-3'm UNI: 225.118 Fm'-3'm BNS: 225.118 Fm'-3'm Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 96k (x,x,z;mx,-mx,0) (x,-z,x;-mx,0,mx) (x,z,-x;-mx,0,-mx) (z,x,-x;0,mx,mx) (-z,x,x;0,mx,-mx) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z,x;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z,-x,x;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 96j (0,y,z;0,my,mz) (0,-z,y;0,mz,-my) (0,z,-y;0,-mz,my) (z,y,0;-mz,-my,0) (-z,y,0;mz,-my,0) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (0,z,y;0,-mz,-my) (0,-z,-y;0,mz,my) (z,-y,0;-mz,my,0) (-z,-y,0;mz,my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 48i (1/2,y,y;0,my,-my) (1/2,-y,y;0,-my,-my) (1/2,y,-y;0,my,my) (y,y,1/2;my,-my,0) (-y,y,1/2;-my,-my,0) (-y,1/2,y;my,0,my) (y,1/2,y;-my,0,my) (1/2,-y,-y;0,-my,my) (y,1/2,-y;-my,0,-my) (-y,1/2,-y;my,0,-my) (y,-y,1/2;my,my,0) (-y,-y,1/2;-my,my,0) 48h (0,y,y;0,my,-my) (0,-y,y;0,-my,-my) (0,y,-y;0,my,my) (y,y,0;my,-my,0) (-y,y,0;-my,-my,0) (-y,0,y;my,0,my) (y,0,y;-my,0,my) (0,-y,-y;0,-my,my) (y,0,-y;-my,0,-my) (-y,0,-y;my,0,-my) (y,-y,0;my,my,0) (-y,-y,0;-my,my,0) 48g (x,1/4,1/4;0,0,0) (x,3/4,1/4;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,1/4,x;0,0,0) (3/4,x,1/4;0,0,0) (3/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (1/4,x,1/4;0,0,0) (1/4,1/4,x;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,-x,3/4;0,0,0) 32f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 225.4.1621 Fm-3m' UNI: 225.119 Fm-3m' BNS: 225.119 Fm-3m' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 96k (x,x,z;mx,mx,mz) (x,-z,x;-mx,mz,-mx) (x,z,-x;-mx,-mz,mx) (z,x,-x;-mz,-mx,mx) (-z,x,x;mz,-mx,-mx) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) (-x,z,x;mx,-mz,-mx) (-x,-z,-x;mx,mz,mx) (z,-x,x;-mz,mx,-mx) (-z,-x,-x;mz,mx,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 96j (0,y,z;mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 48i (1/2,y,y;mx,0,0) (1/2,-y,y;-mx,0,0) (1/2,y,-y;-mx,0,0) (y,y,1/2;0,0,mx) (-y,y,1/2;0,0,-mx) (-y,1/2,y;0,-mx,0) (y,1/2,y;0,mx,0) (1/2,-y,-y;mx,0,0) (y,1/2,-y;0,-mx,0) (-y,1/2,-y;0,mx,0) (y,-y,1/2;0,0,-mx) (-y,-y,1/2;0,0,mx) 48h (0,y,y;mx,0,0) (0,-y,y;-mx,0,0) (0,y,-y;-mx,0,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (y,0,y;0,mx,0) (0,-y,-y;mx,0,0) (y,0,-y;0,-mx,0) (-y,0,-y;0,mx,0) (y,-y,0;0,0,-mx) (-y,-y,0;0,0,mx) 48g (x,1/4,1/4;mx,0,0) (x,3/4,1/4;-mx,0,0) (3/4,3/4,-x;0,0,mx) (3/4,1/4,x;0,0,-mx) (3/4,x,1/4;0,-mx,0) (3/4,-x,3/4;0,mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 32f (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 24e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 24d (0,1/4,1/4;mx,0,0) (0,1/4,3/4;-mx,0,0) (1/4,1/4,0;0,0,mx) (1/4,3/4,0;0,0,-mx) (1/4,0,3/4;0,-mx,0) (1/4,0,1/4;0,mx,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 225.5.1622 Fm'-3'm' UNI: 225.120 Fm'-3'm' BNS: 225.120 Fm'-3'm' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 96k (x,x,z;mx,mx,mz) (x,-z,x;mx,-mz,mx) (x,z,-x;mx,mz,-mx) (z,x,-x;mz,mx,-mx) (-z,x,x;-mz,mx,mx) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z,x;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z,-x,x;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 96j (0,y,z;0,my,mz) (0,-z,y;0,-mz,my) (0,z,-y;0,mz,-my) (z,y,0;mz,my,0) (-z,y,0;-mz,my,0) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,z,y;0,mz,my) (0,-z,-y;0,-mz,-my) (z,-y,0;mz,-my,0) (-z,-y,0;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 48i (1/2,y,y;0,my,my) (1/2,-y,y;0,-my,my) (1/2,y,-y;0,my,-my) (y,y,1/2;my,my,0) (-y,y,1/2;-my,my,0) (-y,1/2,y;-my,0,my) (y,1/2,y;my,0,my) (1/2,-y,-y;0,-my,-my) (y,1/2,-y;my,0,-my) (-y,1/2,-y;-my,0,-my) (y,-y,1/2;my,-my,0) (-y,-y,1/2;-my,-my,0) 48h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 48g (x,1/4,1/4;mx,0,0) (x,3/4,1/4;mx,0,0) (3/4,3/4,-x;0,0,-mx) (3/4,1/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) (3/4,-x,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (1/4,x,1/4;0,mx,0) (1/4,1/4,x;0,0,mx) (1/4,3/4,-x;0,0,-mx) (1/4,-x,3/4;0,-mx,0) 32f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 24e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 24d (0,1/4,1/4;0,0,0) (0,1/4,3/4;0,0,0) (1/4,1/4,0;0,0,0) (1/4,3/4,0;0,0,0) (1/4,0,3/4;0,0,0) (1/4,0,1/4;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 4b (1/2,1/2,1/2;0,0,0) 4a (0,0,0;0,0,0) ---------- OG: 226.1.1623 Fm-3c UNI: 226.122 Fm-3c.1 BNS: 226.122 Fm-3c Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 96i (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;mx,0,0) (1/2,z+1/2,-y+1/2;mx,0,0) (z+1/2,y+1/2,1/2;0,0,-mx) (-z+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,z+1/2,y+1/2;-mx,0,0) (1/2,-z+1/2,-y+1/2;-mx,0,0) (z+1/2,-y+1/2,1/2;0,0,mx) (-z+1/2,-y+1/2,1/2;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 96h (1/4,y,y;0,my,my) (3/4,-y,y;0,-my,my) (3/4,y,-y;0,my,-my) (y,y,1/4;my,my,0) (-y,y,3/4;-my,my,0) (-y,3/4,y;-my,0,my) (y,1/4,y;my,0,my) (1/4,-y,-y;0,-my,-my) (y,3/4,-y;my,0,-my) (-y,1/4,-y;-my,0,-my) (y,-y,3/4;my,-my,0) (-y,-y,1/4;-my,-my,0) (3/4,-y,-y;0,my,my) (1/4,y,-y;0,-my,my) (1/4,-y,y;0,my,-my) (-y,-y,3/4;my,my,0) (y,-y,1/4;-my,my,0) (y,1/4,-y;-my,0,my) (-y,3/4,-y;my,0,my) (3/4,y,y;0,-my,-my) (-y,1/4,y;my,0,-my) (y,3/4,y;-my,0,-my) (-y,y,1/4;my,-my,0) (y,y,3/4;-my,-my,0) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 48f (x,1/4,1/4;mx,0,0) (1/4,3/4,-x;0,0,-mx) (1/4,1/4,x;0,0,mx) (1/4,x,1/4;0,mx,0) (1/4,-x,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;mx,0,0) (3/4,1/4,x;0,0,-mx) (3/4,3/4,-x;0,0,mx) (3/4,-x,3/4;0,mx,0) (3/4,x,1/4;0,-mx,0) (x,3/4,1/4;-mx,0,0) 48e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (0,1/4,1/4;mx,0,0) (1/4,3/4,0;0,0,-mx) (1/4,1/4,0;0,0,mx) (1/4,0,1/4;0,mx,0) (1/4,0,3/4;0,-mx,0) (0,1/4,3/4;-mx,0,0) 24c (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) 8b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 8a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 226.2.1624 Fm-3c1' UNI: 226.123 Fm-3c.1' BNS: 226.123 Fm-3c1' Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;0,0,0) (x+1/2,-z+1/2,y+1/2;0,0,0) (x+1/2,z+1/2,-y+1/2;0,0,0) (z+1/2,y+1/2,-x+1/2;0,0,0) (-z+1/2,y+1/2,x+1/2;0,0,0) (-y+1/2,x+1/2,z+1/2;0,0,0) (y+1/2,-x+1/2,z+1/2;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y+1/2,x+1/2,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,z+1/2,y+1/2;0,0,0) (-x+1/2,-z+1/2,-y+1/2;0,0,0) (z+1/2,-y+1/2,x+1/2;0,0,0) (-z+1/2,-y+1/2,-x+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x+1/2,z+1/2,-y+1/2;0,0,0) (-x+1/2,-z+1/2,y+1/2;0,0,0) (-z+1/2,-y+1/2,x+1/2;0,0,0) (z+1/2,-y+1/2,-x+1/2;0,0,0) (y+1/2,-x+1/2,-z+1/2;0,0,0) (-y+1/2,x+1/2,-z+1/2;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y+1/2,-x+1/2,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z+1/2,-y+1/2;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z+1/2,y+1/2,-x+1/2;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 96i (0,y,z;0,0,0) (1/2,-z+1/2,y+1/2;0,0,0) (1/2,z+1/2,-y+1/2;0,0,0) (z+1/2,y+1/2,1/2;0,0,0) (-z+1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,z+1/2;0,0,0) (y+1/2,1/2,z+1/2;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y+1/2,1/2,-z+1/2;0,0,0) (-y+1/2,1/2,-z+1/2;0,0,0) (1/2,z+1/2,y+1/2;0,0,0) (1/2,-z+1/2,-y+1/2;0,0,0) (z+1/2,-y+1/2,1/2;0,0,0) (-z+1/2,-y+1/2,1/2;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 96h (1/4,y,y;0,0,0) (3/4,-y,y;0,0,0) (3/4,y,-y;0,0,0) (y,y,1/4;0,0,0) (-y,y,3/4;0,0,0) (-y,3/4,y;0,0,0) (y,1/4,y;0,0,0) (1/4,-y,-y;0,0,0) (y,3/4,-y;0,0,0) (-y,1/4,-y;0,0,0) (y,-y,3/4;0,0,0) (-y,-y,1/4;0,0,0) (3/4,-y,-y;0,0,0) (1/4,y,-y;0,0,0) (1/4,-y,y;0,0,0) (-y,-y,3/4;0,0,0) (y,-y,1/4;0,0,0) (y,1/4,-y;0,0,0) (-y,3/4,-y;0,0,0) (3/4,y,y;0,0,0) (-y,1/4,y;0,0,0) (y,3/4,y;0,0,0) (-y,y,1/4;0,0,0) (y,y,3/4;0,0,0) 64g (x,x,x;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,-x,-x;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 48f (x,1/4,1/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,1/4,x;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x,1/4;0,0,0) (x,3/4,1/4;0,0,0) 48e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (0,1/4,3/4;0,0,0) 24c (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) 8b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 8a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 226.3.1625 Fm'-3'c UNI: 226.124 Fm'-3'c BNS: 226.124 Fm'-3'c Operators: (1|0,0,0) (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 96i (0,y,z;0,my,mz) (1/2,-z+1/2,y+1/2;0,mz,-my) (1/2,z+1/2,-y+1/2;0,-mz,my) (z+1/2,y+1/2,1/2;-mz,-my,0) (-z+1/2,y+1/2,1/2;mz,-my,0) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,z+1/2,y+1/2;0,-mz,-my) (1/2,-z+1/2,-y+1/2;0,mz,my) (z+1/2,-y+1/2,1/2;-mz,my,0) (-z+1/2,-y+1/2,1/2;mz,my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 96h (1/4,y,y;mx,my,-my) (3/4,-y,y;-mx,-my,-my) (3/4,y,-y;-mx,my,my) (y,y,1/4;my,-my,mx) (-y,y,3/4;-my,-my,-mx) (-y,3/4,y;my,-mx,my) (y,1/4,y;-my,mx,my) (1/4,-y,-y;mx,-my,my) (y,3/4,-y;-my,-mx,-my) (-y,1/4,-y;my,mx,-my) (y,-y,3/4;my,my,-mx) (-y,-y,1/4;-my,my,mx) (3/4,-y+1/2,-y+1/2;-mx,-my,my) (1/4,y+1/2,-y+1/2;mx,my,my) (1/4,-y+1/2,y+1/2;mx,-my,-my) (-y+1/2,-y+1/2,3/4;-my,my,-mx) (y+1/2,-y+1/2,1/4;my,my,mx) (y+1/2,1/4,-y+1/2;-my,mx,-my) (-y+1/2,3/4,-y+1/2;my,-mx,-my) (3/4,y+1/2,y+1/2;-mx,my,-my) (-y+1/2,1/4,y+1/2;my,mx,my) (y+1/2,3/4,y+1/2;-my,-mx,my) (-y+1/2,y+1/2,1/4;-my,-my,mx) (y+1/2,y+1/2,3/4;my,-my,-mx) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 48f (x,1/4,1/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x+1/2,3/4,1/4;0,0,0) (3/4,3/4,x+1/2;0,0,0) (3/4,1/4,-x+1/2;0,0,0) (3/4,-x+1/2,1/4;0,0,0) (3/4,x+1/2,3/4;0,0,0) (x+1/2,3/4,3/4;0,0,0) 48e (x,0,0;mx,0,0) (x+1/2,1/2,1/2;-mx,0,0) (1/2,1/2,-x+1/2;0,0,mx) (1/2,1/2,x+1/2;0,0,-mx) (1/2,x+1/2,1/2;0,-mx,0) (1/2,-x+1/2,1/2;0,mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 24d (0,1/4,1/4;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (0,1/4,3/4;0,0,0) 24c (1/4,0,0;mx,0,0) (3/4,0,0;-mx,0,0) (0,0,1/4;0,0,mx) (0,0,3/4;0,0,-mx) (0,3/4,0;0,-mx,0) (0,1/4,0;0,mx,0) 8b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 8a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 226.4.1626 Fm-3c' UNI: 226.125 Fm-3c' BNS: 226.125 Fm-3c' Operators: (1|0,0,0) (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 96i (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;-mx,0,0) (1/2,z+1/2,-y+1/2;-mx,0,0) (z+1/2,y+1/2,1/2;0,0,mx) (-z+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,z+1/2,y+1/2;mx,0,0) (1/2,-z+1/2,-y+1/2;mx,0,0) (z+1/2,-y+1/2,1/2;0,0,-mx) (-z+1/2,-y+1/2,1/2;0,0,mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 96h (1/4,y,y;mx,my,-my) (3/4,-y,y;-mx,-my,-my) (3/4,y,-y;-mx,my,my) (y,y,1/4;my,-my,mx) (-y,y,3/4;-my,-my,-mx) (-y,3/4,y;my,-mx,my) (y,1/4,y;-my,mx,my) (1/4,-y,-y;mx,-my,my) (y,3/4,-y;-my,-mx,-my) (-y,1/4,-y;my,mx,-my) (y,-y,3/4;my,my,-mx) (-y,-y,1/4;-my,my,mx) (3/4,-y,-y;mx,my,-my) (1/4,y,-y;-mx,-my,-my) (1/4,-y,y;-mx,my,my) (-y,-y,3/4;my,-my,mx) (y,-y,1/4;-my,-my,-mx) (y,1/4,-y;my,-mx,my) (-y,3/4,-y;-my,mx,my) (3/4,y,y;mx,-my,my) (-y,1/4,y;-my,-mx,-my) (y,3/4,y;my,mx,-my) (-y,y,1/4;my,my,-mx) (y,y,3/4;-my,my,mx) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 48f (x,1/4,1/4;0,0,0) (1/4,3/4,-x;0,0,0) (1/4,1/4,x;0,0,0) (1/4,x,1/4;0,0,0) (1/4,-x,3/4;0,0,0) (-x,1/4,3/4;0,0,0) (-x,3/4,3/4;0,0,0) (3/4,1/4,x;0,0,0) (3/4,3/4,-x;0,0,0) (3/4,-x,3/4;0,0,0) (3/4,x,1/4;0,0,0) (x,3/4,1/4;0,0,0) 48e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 24d (0,1/4,1/4;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (0,1/4,3/4;0,0,0) 24c (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) 8b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 8a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 226.5.1627 Fm'-3'c' UNI: 226.126 Fm'-3'c' BNS: 226.126 Fm'-3'c' Operators: (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192j (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 96i (0,y,z;0,my,mz) (1/2,-z+1/2,y+1/2;0,-mz,my) (1/2,z+1/2,-y+1/2;0,mz,-my) (z+1/2,y+1/2,1/2;mz,my,0) (-z+1/2,y+1/2,1/2;-mz,my,0) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (1/2,z+1/2,y+1/2;0,mz,my) (1/2,-z+1/2,-y+1/2;0,-mz,-my) (z+1/2,-y+1/2,1/2;mz,-my,0) (-z+1/2,-y+1/2,1/2;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 96h (1/4,y,y;0,my,my) (3/4,-y,y;0,-my,my) (3/4,y,-y;0,my,-my) (y,y,1/4;my,my,0) (-y,y,3/4;-my,my,0) (-y,3/4,y;-my,0,my) (y,1/4,y;my,0,my) (1/4,-y,-y;0,-my,-my) (y,3/4,-y;my,0,-my) (-y,1/4,-y;-my,0,-my) (y,-y,3/4;my,-my,0) (-y,-y,1/4;-my,-my,0) (3/4,-y,-y;0,-my,-my) (1/4,y,-y;0,my,-my) (1/4,-y,y;0,-my,my) (-y,-y,3/4;-my,-my,0) (y,-y,1/4;my,-my,0) (y,1/4,-y;my,0,-my) (-y,3/4,-y;-my,0,-my) (3/4,y,y;0,my,my) (-y,1/4,y;-my,0,my) (y,3/4,y;my,0,my) (-y,y,1/4;-my,my,0) (y,y,3/4;my,my,0) 64g (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,x+1/2,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/2,-x+1/2;mx,-mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 48f (x,1/4,1/4;mx,0,0) (1/4,3/4,-x;0,0,-mx) (1/4,1/4,x;0,0,mx) (1/4,x,1/4;0,mx,0) (1/4,-x,3/4;0,-mx,0) (-x,1/4,3/4;-mx,0,0) (-x,3/4,3/4;-mx,0,0) (3/4,1/4,x;0,0,mx) (3/4,3/4,-x;0,0,-mx) (3/4,-x,3/4;0,-mx,0) (3/4,x,1/4;0,mx,0) (x,3/4,1/4;mx,0,0) 48e (x,0,0;mx,0,0) (x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,-x+1/2;0,0,-mx) (1/2,1/2,x+1/2;0,0,mx) (1/2,x+1/2,1/2;0,mx,0) (1/2,-x+1/2,1/2;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;-mx,0,0) (0,x,0;0,mx,0) (0,0,x;0,0,mx) (0,0,-x;0,0,-mx) (0,-x,0;0,-mx,0) 24d (0,1/4,1/4;0,0,0) (1/4,3/4,0;0,0,0) (1/4,1/4,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,0,3/4;0,0,0) (0,1/4,3/4;0,0,0) 24c (1/4,0,0;0,0,0) (3/4,0,0;0,0,0) (0,0,1/4;0,0,0) (0,0,3/4;0,0,0) (0,3/4,0;0,0,0) (0,1/4,0;0,0,0) 8b (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) 8a (1/4,1/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) ---------- OG: 227.1.1628 Fd-3m UNI: 227.128 Fd-3m.1 BNS: 227.128 Fd-3m Operators: (1|0,0,0) (4x|1/4,0,1/4) (4x-1|1/4,1/4,0) (4y|1/4,1/4,0) (4y-1|0,1/4,1/4) (4z|0,1/4,1/4) (4z-1|1/4,0,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0) (2-xy|0,0,0) (2yz|0,1/4,1/4) (2-yz|0,0,0) (2xz|1/4,0,1/4) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,0,1/4) (-4x-1|1/4,1/4,0) (-4y|1/4,1/4,0) (-4y-1|0,1/4,1/4) (-4z|0,1/4,1/4) (-4z-1|1/4,0,1/4) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,0) (m-xy|0,0,0) (myz|0,1/4,1/4) (m-yz|0,0,0) (mxz|1/4,0,1/4) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192i (x,y,z;mx,my,mz) (x+1/4,-z,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y;mx,mz,-my) (z+1/4,y+1/4,-x;mz,my,-mx) (-z,y+1/4,x+1/4;-mz,my,mx) (-y,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x,z+1/4;my,-mx,mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/4,y+1/4;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/4,-y,x+1/4;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y;mx,mz,-my) (-z+1/4,-y+1/4,x;mz,my,-mx) (z,-y+1/4,-x+1/4;-mz,my,mx) (y,-x+1/4,-z+1/4;-my,mx,mz) (-y+1/4,x,-z+1/4;my,-mx,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/4,-y+1/4;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/4,y,-x+1/4;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) 96h (0,y,-y;0,my,-my) (1/4,y,y+1/4;0,my,my) (1/4,-y+1/4,-y;0,-my,-my) (-y+1/4,y+1/4,0;-my,my,0) (y,y+1/4,1/4;my,my,0) (-y,1/4,-y+1/4;-my,0,-my) (y+1/4,0,-y+1/4;my,0,-my) (0,-y+1/4,y+1/4;0,-my,my) (y+1/4,1/4,y;my,0,my) (-y,0,y;-my,0,my) (-y+1/4,-y,1/4;-my,-my,0) (y,-y,0;my,-my,0) (0,-y,y;0,my,-my) (1/4,-y,-y+1/4;0,my,my) (1/4,y+1/4,y;0,-my,-my) (y+1/4,-y+1/4,0;-my,my,0) (-y,-y+1/4,1/4;my,my,0) (y,1/4,y+1/4;-my,0,-my) (-y+1/4,0,y+1/4;my,0,-my) (0,y+1/4,-y+1/4;0,-my,my) (-y+1/4,1/4,-y;my,0,my) (y,0,-y;-my,0,my) (y+1/4,y,1/4;-my,-my,0) (-y,y,0;my,-my,0) 96g (x,x,z;mx,-mx,0) (x+1/4,-z,x+1/4;mx,0,-mx) (x+1/4,z+1/4,-x;mx,0,mx) (z+1/4,x+1/4,-x;0,-mx,-mx) (-z,x+1/4,x+1/4;0,-mx,mx) (-x,x+1/4,z+1/4;mx,mx,0) (x+1/4,-x,z+1/4;-mx,-mx,0) (x,-x+1/4,-z+1/4;mx,mx,0) (-x+1/4,x,-z+1/4;-mx,-mx,0) (-x+1/4,-x+1/4,z;-mx,mx,0) (x+1/4,x+1/4,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z+1/4,x+1/4;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z+1/4,-x,x+1/4;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/4,z,-x+1/4;mx,0,-mx) (-z+1/4,-x+1/4,x;0,-mx,-mx) (-x+1/4,-z+1/4,x;mx,0,mx) (z,-x+1/4,-x+1/4;0,-mx,mx) (x,-z+1/4,-x+1/4;-mx,0,-mx) (-z+1/4,x,-x+1/4;0,mx,mx) 48f (x,1/8,1/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) (7/8,7/8,-x;0,0,0) (7/8,3/8,x+1/4;0,0,0) (7/8,x+1/4,3/8;0,0,0) (7/8,-x,7/8;0,0,0) (-x+1/4,1/8,1/8;0,0,0) (-x,7/8,7/8;0,0,0) (1/8,x,1/8;0,0,0) (1/8,1/8,x;0,0,0) (1/8,1/8,-x+1/4;0,0,0) (1/8,-x+1/4,1/8;0,0,0) 32e (x,x,x;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x;0,0,0) (-x,-x,-x;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) (1/2,3/4,3/4;0,0,0) 16c (0,0,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (0,1/4,1/4;0,0,0) 8b (3/8,3/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 227.2.1629 Fd-3m1' UNI: 227.129 Fd-3m.1' BNS: 227.129 Fd-3m1' Operators: (1|0,0,0) (4x|1/4,0,1/4) (4x-1|1/4,1/4,0) (4y|1/4,1/4,0) (4y-1|0,1/4,1/4) (4z|0,1/4,1/4) (4z-1|1/4,0,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0) (2-xy|0,0,0) (2yz|0,1/4,1/4) (2-yz|0,0,0) (2xz|1/4,0,1/4) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,0,1/4) (-4x-1|1/4,1/4,0) (-4y|1/4,1/4,0) (-4y-1|0,1/4,1/4) (-4z|0,1/4,1/4) (-4z-1|1/4,0,1/4) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,0) (m-xy|0,0,0) (myz|0,1/4,1/4) (m-yz|0,0,0) (mxz|1/4,0,1/4) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (1|0,0,0)' (4x|1/4,0,1/4)' (4x-1|1/4,1/4,0)' (4y|1/4,1/4,0)' (4y-1|0,1/4,1/4)' (4z|0,1/4,1/4)' (4z-1|1/4,0,1/4)' (2x|0,1/4,1/4)' (2y|1/4,0,1/4)' (2z|1/4,1/4,0)' (2xy|1/4,1/4,0)' (2-xy|0,0,0)' (2yz|0,1/4,1/4)' (2-yz|0,0,0)' (2xz|1/4,0,1/4)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/4,0,1/4)' (3-xyz-1|1/4,1/4,0)' (3x-yz|1/4,1/4,0)' (3x-yz-1|0,1/4,1/4)' (3xy-z|0,1/4,1/4)' (3xy-z-1|1/4,0,1/4)' (-1|0,0,0)' (-4x|1/4,0,1/4)' (-4x-1|1/4,1/4,0)' (-4y|1/4,1/4,0)' (-4y-1|0,1/4,1/4)' (-4z|0,1/4,1/4)' (-4z-1|1/4,0,1/4)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,0)' (m-xy|0,0,0)' (myz|0,1/4,1/4)' (m-yz|0,0,0)' (mxz|1/4,0,1/4)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192i (x,y,z;0,0,0) (x+1/4,-z,y+1/4;0,0,0) (x+1/4,z+1/4,-y;0,0,0) (z+1/4,y+1/4,-x;0,0,0) (-z,y+1/4,x+1/4;0,0,0) (-y,x+1/4,z+1/4;0,0,0) (y+1/4,-x,z+1/4;0,0,0) (x,-y+1/4,-z+1/4;0,0,0) (-x+1/4,y,-z+1/4;0,0,0) (-x+1/4,-y+1/4,z;0,0,0) (y+1/4,x+1/4,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z+1/4,y+1/4;0,0,0) (-x,-z,-y;0,0,0) (z+1/4,-y,x+1/4;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/4,z,-x+1/4;0,0,0) (-z+1/4,-x+1/4,y;0,0,0) (-y+1/4,-z+1/4,x;0,0,0) (z,-x+1/4,-y+1/4;0,0,0) (y,-z+1/4,-x+1/4;0,0,0) (-z+1/4,x,-y+1/4;0,0,0) (-x,-y,-z;0,0,0) (-x+1/4,z,-y+1/4;0,0,0) (-x+1/4,-z+1/4,y;0,0,0) (-z+1/4,-y+1/4,x;0,0,0) (z,-y+1/4,-x+1/4;0,0,0) (y,-x+1/4,-z+1/4;0,0,0) (-y+1/4,x,-z+1/4;0,0,0) (-x,y+1/4,z+1/4;0,0,0) (x+1/4,-y,z+1/4;0,0,0) (x+1/4,y+1/4,-z;0,0,0) (-y+1/4,-x+1/4,z;0,0,0) (y,x,z;0,0,0) (x,-z+1/4,-y+1/4;0,0,0) (x,z,y;0,0,0) (-z+1/4,y,-x+1/4;0,0,0) (z,y,x;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/4,-z,x+1/4;0,0,0) (z+1/4,x+1/4,-y;0,0,0) (y+1/4,z+1/4,-x;0,0,0) (-z,x+1/4,y+1/4;0,0,0) (-y,z+1/4,x+1/4;0,0,0) (z+1/4,-x,y+1/4;0,0,0) 96h (0,y,-y;0,0,0) (1/4,y,y+1/4;0,0,0) (1/4,-y+1/4,-y;0,0,0) (-y+1/4,y+1/4,0;0,0,0) (y,y+1/4,1/4;0,0,0) (-y,1/4,-y+1/4;0,0,0) (y+1/4,0,-y+1/4;0,0,0) (0,-y+1/4,y+1/4;0,0,0) (y+1/4,1/4,y;0,0,0) (-y,0,y;0,0,0) (-y+1/4,-y,1/4;0,0,0) (y,-y,0;0,0,0) (0,-y,y;0,0,0) (1/4,-y,-y+1/4;0,0,0) (1/4,y+1/4,y;0,0,0) (y+1/4,-y+1/4,0;0,0,0) (-y,-y+1/4,1/4;0,0,0) (y,1/4,y+1/4;0,0,0) (-y+1/4,0,y+1/4;0,0,0) (0,y+1/4,-y+1/4;0,0,0) (-y+1/4,1/4,-y;0,0,0) (y,0,-y;0,0,0) (y+1/4,y,1/4;0,0,0) (-y,y,0;0,0,0) 96g (x,x,z;0,0,0) (x+1/4,-z,x+1/4;0,0,0) (x+1/4,z+1/4,-x;0,0,0) (z+1/4,x+1/4,-x;0,0,0) (-z,x+1/4,x+1/4;0,0,0) (-x,x+1/4,z+1/4;0,0,0) (x+1/4,-x,z+1/4;0,0,0) (x,-x+1/4,-z+1/4;0,0,0) (-x+1/4,x,-z+1/4;0,0,0) (-x+1/4,-x+1/4,z;0,0,0) (x+1/4,x+1/4,-z;0,0,0) (-x,-x,-z;0,0,0) (-x,z+1/4,x+1/4;0,0,0) (-x,-z,-x;0,0,0) (z+1/4,-x,x+1/4;0,0,0) (-z,-x,-x;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x+1/4,z,-x+1/4;0,0,0) (-z+1/4,-x+1/4,x;0,0,0) (-x+1/4,-z+1/4,x;0,0,0) (z,-x+1/4,-x+1/4;0,0,0) (x,-z+1/4,-x+1/4;0,0,0) (-z+1/4,x,-x+1/4;0,0,0) 48f (x,1/8,1/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) (7/8,7/8,-x;0,0,0) (7/8,3/8,x+1/4;0,0,0) (7/8,x+1/4,3/8;0,0,0) (7/8,-x,7/8;0,0,0) (-x+1/4,1/8,1/8;0,0,0) (-x,7/8,7/8;0,0,0) (1/8,x,1/8;0,0,0) (1/8,1/8,x;0,0,0) (1/8,1/8,-x+1/4;0,0,0) (1/8,-x+1/4,1/8;0,0,0) 32e (x,x,x;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x;0,0,0) (-x,-x,-x;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) (1/2,3/4,3/4;0,0,0) 16c (0,0,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (0,1/4,1/4;0,0,0) 8b (3/8,3/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 227.3.1630 Fd'-3'm UNI: 227.130 Fd'-3'm BNS: 227.130 Fd'-3'm Operators: (1|0,0,0) (4x|1/4,0,1/4)' (4x-1|1/4,1/4,0)' (4y|1/4,1/4,0)' (4y-1|0,1/4,1/4)' (4z|0,1/4,1/4)' (4z-1|1/4,0,1/4)' (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0)' (2-xy|0,0,0)' (2yz|0,1/4,1/4)' (2-yz|0,0,0)' (2xz|1/4,0,1/4)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0)' (-4x|1/4,0,1/4) (-4x-1|1/4,1/4,0) (-4y|1/4,1/4,0) (-4y-1|0,1/4,1/4) (-4z|0,1/4,1/4) (-4z-1|1/4,0,1/4) (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,0) (m-xy|0,0,0) (myz|0,1/4,1/4) (m-yz|0,0,0) (mxz|1/4,0,1/4) (m-xz|0,0,0) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192i (x,y,z;mx,my,mz) (x+1/4,-z,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y;-mx,-mz,my) (z+1/4,y+1/4,-x;-mz,-my,mx) (-z,y+1/4,x+1/4;mz,-my,-mx) (-y,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x,z+1/4;-my,mx,-mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/4,y+1/4;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/4,-y,x+1/4;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y;mx,mz,-my) (-z+1/4,-y+1/4,x;mz,my,-mx) (z,-y+1/4,-x+1/4;-mz,my,mx) (y,-x+1/4,-z+1/4;-my,mx,mz) (-y+1/4,x,-z+1/4;my,-mx,mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) (-y+1/4,-x+1/4,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/4,-y+1/4;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/4,y,-x+1/4;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/4,-z,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y;mz,mx,-my) (y+1/4,z+1/4,-x;my,mz,-mx) (-z,x+1/4,y+1/4;-mz,mx,my) (-y,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x,y+1/4;mz,-mx,my) 96h (0,y,-y;mx,my,my) (1/4,y,y+1/4;-mx,my,-my) (1/4,-y+1/4,-y;-mx,-my,my) (-y+1/4,y+1/4,0;-my,-my,mx) (y,y+1/4,1/4;my,-my,-mx) (-y,1/4,-y+1/4;my,-mx,-my) (y+1/4,0,-y+1/4;-my,mx,-my) (0,-y+1/4,y+1/4;mx,-my,-my) (y+1/4,1/4,y;-my,-mx,my) (-y,0,y;my,mx,my) (-y+1/4,-y,1/4;-my,my,-mx) (y,-y,0;my,my,mx) (0,-y,y;-mx,-my,-my) (1/4,-y,-y+1/4;mx,-my,my) (1/4,y+1/4,y;mx,my,-my) (y+1/4,-y+1/4,0;my,my,-mx) (-y,-y+1/4,1/4;-my,my,mx) (y,1/4,y+1/4;-my,mx,my) (-y+1/4,0,y+1/4;my,-mx,my) (0,y+1/4,-y+1/4;-mx,my,my) (-y+1/4,1/4,-y;my,mx,-my) (y,0,-y;-my,-mx,-my) (y+1/4,y,1/4;my,-my,mx) (-y,y,0;-my,-my,-mx) 96g (x,x,z;mx,-mx,0) (x+1/4,-z,x+1/4;-mx,0,mx) (x+1/4,z+1/4,-x;-mx,0,-mx) (z+1/4,x+1/4,-x;0,mx,mx) (-z,x+1/4,x+1/4;0,mx,-mx) (-x,x+1/4,z+1/4;-mx,-mx,0) (x+1/4,-x,z+1/4;mx,mx,0) (x,-x+1/4,-z+1/4;mx,mx,0) (-x+1/4,x,-z+1/4;-mx,-mx,0) (-x+1/4,-x+1/4,z;-mx,mx,0) (x+1/4,x+1/4,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z+1/4,x+1/4;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z+1/4,-x,x+1/4;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/4,z,-x+1/4;mx,0,-mx) (-z+1/4,-x+1/4,x;0,-mx,-mx) (-x+1/4,-z+1/4,x;mx,0,mx) (z,-x+1/4,-x+1/4;0,-mx,mx) (x,-z+1/4,-x+1/4;-mx,0,-mx) (-z+1/4,x,-x+1/4;0,mx,mx) 48f (x,1/8,1/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) (7/8,7/8,-x;0,0,0) (7/8,3/8,x+1/4;0,0,0) (7/8,x+1/4,3/8;0,0,0) (7/8,-x,7/8;0,0,0) (-x+1/4,1/8,1/8;0,0,0) (-x,7/8,7/8;0,0,0) (1/8,x,1/8;0,0,0) (1/8,1/8,x;0,0,0) (1/8,1/8,-x+1/4;0,0,0) (1/8,-x+1/4,1/8;0,0,0) 32e (x,x,x;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x;0,0,0) (-x,-x,-x;0,0,0) 16d (1/2,1/2,1/2;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) (1/2,3/4,3/4;0,0,0) 16c (0,0,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (0,1/4,1/4;0,0,0) 8b (3/8,3/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 227.4.1631 Fd-3m' UNI: 227.131 Fd-3m' BNS: 227.131 Fd-3m' Operators: (1|0,0,0) (4x|1/4,0,1/4)' (4x-1|1/4,1/4,0)' (4y|1/4,1/4,0)' (4y-1|0,1/4,1/4)' (4z|0,1/4,1/4)' (4z-1|1/4,0,1/4)' (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0)' (2-xy|0,0,0)' (2yz|0,1/4,1/4)' (2-yz|0,0,0)' (2xz|1/4,0,1/4)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,0,1/4)' (-4x-1|1/4,1/4,0)' (-4y|1/4,1/4,0)' (-4y-1|0,1/4,1/4)' (-4z|0,1/4,1/4)' (-4z-1|1/4,0,1/4)' (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,0)' (m-xy|0,0,0)' (myz|0,1/4,1/4)' (m-yz|0,0,0)' (mxz|1/4,0,1/4)' (m-xz|0,0,0)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192i (x,y,z;mx,my,mz) (x+1/4,-z,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y;-mx,-mz,my) (z+1/4,y+1/4,-x;-mz,-my,mx) (-z,y+1/4,x+1/4;mz,-my,-mx) (-y,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x,z+1/4;-my,mx,-mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/4,y+1/4;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/4,-y,x+1/4;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y;-mx,-mz,my) (-z+1/4,-y+1/4,x;-mz,-my,mx) (z,-y+1/4,-x+1/4;mz,-my,-mx) (y,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x,-z+1/4;-my,mx,-mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/4,-y+1/4;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/4,y,-x+1/4;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) 96h (0,y,-y;mx,my,my) (1/4,y,y+1/4;-mx,my,-my) (1/4,-y+1/4,-y;-mx,-my,my) (-y+1/4,y+1/4,0;-my,-my,mx) (y,y+1/4,1/4;my,-my,-mx) (-y,1/4,-y+1/4;my,-mx,-my) (y+1/4,0,-y+1/4;-my,mx,-my) (0,-y+1/4,y+1/4;mx,-my,-my) (y+1/4,1/4,y;-my,-mx,my) (-y,0,y;my,mx,my) (-y+1/4,-y,1/4;-my,my,-mx) (y,-y,0;my,my,mx) (0,-y,y;mx,my,my) (1/4,-y,-y+1/4;-mx,my,-my) (1/4,y+1/4,y;-mx,-my,my) (y+1/4,-y+1/4,0;-my,-my,mx) (-y,-y+1/4,1/4;my,-my,-mx) (y,1/4,y+1/4;my,-mx,-my) (-y+1/4,0,y+1/4;-my,mx,-my) (0,y+1/4,-y+1/4;mx,-my,-my) (-y+1/4,1/4,-y;-my,-mx,my) (y,0,-y;my,mx,my) (y+1/4,y,1/4;-my,my,-mx) (-y,y,0;my,my,mx) 96g (x,x,z;mx,mx,mz) (x+1/4,-z,x+1/4;-mx,mz,-mx) (x+1/4,z+1/4,-x;-mx,-mz,mx) (z+1/4,x+1/4,-x;-mz,-mx,mx) (-z,x+1/4,x+1/4;mz,-mx,-mx) (-x,x+1/4,z+1/4;mx,-mx,-mz) (x+1/4,-x,z+1/4;-mx,mx,-mz) (x,-x+1/4,-z+1/4;mx,-mx,-mz) (-x+1/4,x,-z+1/4;-mx,mx,-mz) (-x+1/4,-x+1/4,z;-mx,-mx,mz) (x+1/4,x+1/4,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) (-x,z+1/4,x+1/4;mx,-mz,-mx) (-x,-z,-x;mx,mz,mx) (z+1/4,-x,x+1/4;-mz,mx,-mx) (-z,-x,-x;mz,mx,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/4,z,-x+1/4;-mx,mz,-mx) (-z+1/4,-x+1/4,x;-mz,-mx,mx) (-x+1/4,-z+1/4,x;-mx,-mz,mx) (z,-x+1/4,-x+1/4;mz,-mx,-mx) (x,-z+1/4,-x+1/4;mx,-mz,-mx) (-z+1/4,x,-x+1/4;-mz,mx,-mx) 48f (x,1/8,1/8;mx,0,0) (x+1/4,7/8,3/8;-mx,0,0) (7/8,7/8,-x;0,0,mx) (7/8,3/8,x+1/4;0,0,-mx) (7/8,x+1/4,3/8;0,-mx,0) (7/8,-x,7/8;0,mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x,7/8,7/8;mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x;-mx,-mx,mx) (-x,x+1/4,x+1/4;mx,-mx,-mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 16d (1/2,1/2,1/2;mx,mx,mx) (3/4,1/2,3/4;-mx,mx,-mx) (3/4,3/4,1/2;-mx,-mx,mx) (1/2,3/4,3/4;mx,-mx,-mx) 16c (0,0,0;mx,mx,mx) (1/4,0,1/4;-mx,mx,-mx) (1/4,1/4,0;-mx,-mx,mx) (0,1/4,1/4;mx,-mx,-mx) 8b (3/8,3/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 227.5.1632 Fd'-3'm' UNI: 227.132 Fd'-3'm' BNS: 227.132 Fd'-3'm' Operators: (1|0,0,0) (4x|1/4,0,1/4) (4x-1|1/4,1/4,0) (4y|1/4,1/4,0) (4y-1|0,1/4,1/4) (4z|0,1/4,1/4) (4z-1|1/4,0,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,0) (2-xy|0,0,0) (2yz|0,1/4,1/4) (2-yz|0,0,0) (2xz|1/4,0,1/4) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0)' (-4x|1/4,0,1/4)' (-4x-1|1/4,1/4,0)' (-4y|1/4,1/4,0)' (-4y-1|0,1/4,1/4)' (-4z|0,1/4,1/4)' (-4z-1|1/4,0,1/4)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,0)' (m-xy|0,0,0)' (myz|0,1/4,1/4)' (m-yz|0,0,0)' (mxz|1/4,0,1/4)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192i (x,y,z;mx,my,mz) (x+1/4,-z,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y;mx,mz,-my) (z+1/4,y+1/4,-x;mz,my,-mx) (-z,y+1/4,x+1/4;-mz,my,mx) (-y,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x,z+1/4;my,-mx,mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/4,y+1/4;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/4,-y,x+1/4;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y;-mx,-mz,my) (-z+1/4,-y+1/4,x;-mz,-my,mx) (z,-y+1/4,-x+1/4;mz,-my,-mx) (y,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x,-z+1/4;-my,mx,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) (-y+1/4,-x+1/4,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/4,-y+1/4;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/4,y,-x+1/4;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/4,-z,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y;mz,mx,-my) (y+1/4,z+1/4,-x;my,mz,-mx) (-z,x+1/4,y+1/4;-mz,mx,my) (-y,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x,y+1/4;mz,-mx,my) 96h (0,y,-y;0,my,-my) (1/4,y,y+1/4;0,my,my) (1/4,-y+1/4,-y;0,-my,-my) (-y+1/4,y+1/4,0;-my,my,0) (y,y+1/4,1/4;my,my,0) (-y,1/4,-y+1/4;-my,0,-my) (y+1/4,0,-y+1/4;my,0,-my) (0,-y+1/4,y+1/4;0,-my,my) (y+1/4,1/4,y;my,0,my) (-y,0,y;-my,0,my) (-y+1/4,-y,1/4;-my,-my,0) (y,-y,0;my,-my,0) (0,-y,y;0,-my,my) (1/4,-y,-y+1/4;0,-my,-my) (1/4,y+1/4,y;0,my,my) (y+1/4,-y+1/4,0;my,-my,0) (-y,-y+1/4,1/4;-my,-my,0) (y,1/4,y+1/4;my,0,my) (-y+1/4,0,y+1/4;-my,0,my) (0,y+1/4,-y+1/4;0,my,-my) (-y+1/4,1/4,-y;-my,0,-my) (y,0,-y;my,0,-my) (y+1/4,y,1/4;my,my,0) (-y,y,0;-my,my,0) 96g (x,x,z;mx,mx,mz) (x+1/4,-z,x+1/4;mx,-mz,mx) (x+1/4,z+1/4,-x;mx,mz,-mx) (z+1/4,x+1/4,-x;mz,mx,-mx) (-z,x+1/4,x+1/4;-mz,mx,mx) (-x,x+1/4,z+1/4;-mx,mx,mz) (x+1/4,-x,z+1/4;mx,-mx,mz) (x,-x+1/4,-z+1/4;mx,-mx,-mz) (-x+1/4,x,-z+1/4;-mx,mx,-mz) (-x+1/4,-x+1/4,z;-mx,-mx,mz) (x+1/4,x+1/4,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z+1/4,x+1/4;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z+1/4,-x,x+1/4;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/4,z,-x+1/4;-mx,mz,-mx) (-z+1/4,-x+1/4,x;-mz,-mx,mx) (-x+1/4,-z+1/4,x;-mx,-mz,mx) (z,-x+1/4,-x+1/4;mz,-mx,-mx) (x,-z+1/4,-x+1/4;mx,-mz,-mx) (-z+1/4,x,-x+1/4;-mz,mx,-mx) 48f (x,1/8,1/8;mx,0,0) (x+1/4,7/8,3/8;mx,0,0) (7/8,7/8,-x;0,0,-mx) (7/8,3/8,x+1/4;0,0,mx) (7/8,x+1/4,3/8;0,mx,0) (7/8,-x,7/8;0,-mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x,7/8,7/8;-mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x;mx,mx,-mx) (-x,x+1/4,x+1/4;-mx,mx,mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 16d (1/2,1/2,1/2;0,0,0) (3/4,1/2,3/4;0,0,0) (3/4,3/4,1/2;0,0,0) (1/2,3/4,3/4;0,0,0) 16c (0,0,0;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (0,1/4,1/4;0,0,0) 8b (3/8,3/8,3/8;0,0,0) (5/8,5/8,5/8;0,0,0) 8a (1/8,1/8,1/8;0,0,0) (7/8,7/8,7/8;0,0,0) ---------- OG: 228.1.1633 Fd-3c UNI: 228.134 Fd-3c.1 BNS: 228.134 Fd-3c Operators: (1|0,0,0) (4x|1/4,1/2,1/4) (4x-1|1/4,1/4,1/2) (4y|1/4,1/4,1/2) (4y-1|1/2,1/4,1/4) (4z|1/2,1/4,1/4) (4z-1|1/4,1/2,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/4,1/4) (2-yz|1/2,1/2,1/2) (2xz|1/4,1/2,1/4) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,1/2,1/4) (-4x-1|1/4,1/4,1/2) (-4y|1/4,1/4,1/2) (-4y-1|1/2,1/4,1/4) (-4z|1/2,1/4,1/4) (-4z-1|1/4,1/2,1/4) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/4,1/4) (m-yz|1/2,1/2,1/2) (mxz|1/4,1/2,1/4) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;mx,my,mz) (x+1/4,-z+1/2,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y+1/2;mx,mz,-my) (z+1/4,y+1/4,-x+1/2;mz,my,-mx) (-z+1/2,y+1/4,x+1/4;-mz,my,mx) (-y+1/2,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/2,z+1/4;my,-mx,mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/4,y+1/4;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/4,-y+1/2,x+1/4;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z+1/2,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y+1/2;mx,mz,-my) (-z+1/4,-y+1/4,x+1/2;mz,my,-mx) (z+1/2,-y+1/4,-x+1/4;-mz,my,mx) (y+1/2,-x+1/4,-z+1/4;-my,mx,mz) (-y+1/4,x+1/2,-z+1/4;my,-mx,mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/4,-y+1/4;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/4,y+1/2,-x+1/4;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) 96g (1/4,y,-y;0,my,-my) (0,y,y+1/4;0,my,my) (0,-y+1/4,-y;0,-my,-my) (-y+1/4,y+1/4,1/4;-my,my,0) (y,y+1/4,0;my,my,0) (-y,0,-y+1/4;-my,0,-my) (y+1/4,1/4,-y+1/4;my,0,-my) (1/4,-y+1/4,y+1/4;0,-my,my) (y+1/4,0,y;my,0,my) (-y,1/4,y;-my,0,my) (-y+1/4,-y,0;-my,-my,0) (y,-y,1/4;my,-my,0) (3/4,-y,y;0,my,-my) (1/2,-y,-y+1/4;0,my,my) (1/2,y+1/4,y;0,-my,-my) (y+1/4,-y+1/4,3/4;-my,my,0) (-y,-y+1/4,1/2;my,my,0) (y,1/2,y+1/4;-my,0,-my) (-y+1/4,3/4,y+1/4;my,0,-my) (3/4,y+1/4,-y+1/4;0,-my,my) (-y+1/4,1/2,-y;my,0,my) (y,3/4,-y;-my,0,my) (y+1/4,y,1/2;-my,-my,0) (-y,y,3/4;my,-my,0) 96f (x,1/8,1/8;mx,0,0) (x+1/4,3/8,3/8;mx,0,0) (3/8,3/8,-x+1/2;0,0,-mx) (3/8,3/8,x+1/4;0,0,mx) (3/8,x+1/4,3/8;0,mx,0) (3/8,-x+1/2,3/8;0,-mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x+1/2,3/8,3/8;-mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) (-x,7/8,7/8;mx,0,0) (-x+1/4,5/8,1/8;mx,0,0) (5/8,5/8,x+1/2;0,0,-mx) (5/8,1/8,-x+1/4;0,0,mx) (5/8,-x+1/4,1/8;0,mx,0) (5/8,x+1/2,5/8;0,-mx,0) (x+1/4,7/8,3/8;-mx,0,0) (x+1/2,5/8,5/8;-mx,0,0) (7/8,-x,7/8;0,mx,0) (7/8,7/8,-x;0,0,mx) (7/8,3/8,x+1/4;0,0,-mx) (7/8,x+1/4,3/8;0,-mx,0) 64e (x,x,x;mx,mx,mx) (x+1/4,-x+1/2,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/4,x+1/4;-mx,mx,mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/4,x+1/2,-x+1/4;mx,-mx,mx) (-x+1/4,-x+1/4,x+1/2;mx,mx,-mx) (x+1/2,-x+1/4,-x+1/4;-mx,mx,mx) (-x,x+1/4,x+1/4;mx,-mx,-mx) (x+1/4,-x,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 48d (7/8,1/8,1/8;mx,0,0) (1/8,3/8,3/8;mx,0,0) (3/8,3/8,5/8;0,0,-mx) (3/8,3/8,1/8;0,0,mx) (3/8,1/8,3/8;0,mx,0) (3/8,5/8,3/8;0,-mx,0) (3/8,1/8,1/8;-mx,0,0) (5/8,3/8,3/8;-mx,0,0) (1/8,7/8,1/8;0,mx,0) (1/8,1/8,7/8;0,0,mx) (1/8,1/8,3/8;0,0,-mx) (1/8,3/8,1/8;0,-mx,0) 32c (0,0,0;mx,mx,mx) (1/4,1/2,1/4;mx,-mx,mx) (1/4,1/4,1/2;mx,mx,-mx) (1/2,1/4,1/4;-mx,mx,mx) (0,1/4,1/4;mx,-mx,-mx) (1/4,0,1/4;-mx,mx,-mx) (1/4,1/4,0;-mx,-mx,mx) (1/2,1/2,1/2;-mx,-mx,-mx) 32b (1/4,1/4,1/4;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (1/4,0,0;0,0,0) (3/4,3/4,3/4;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (3/4,1/2,1/2;0,0,0) 16a (1/8,1/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 228.2.1634 Fd-3c1' UNI: 228.135 Fd-3c.1' BNS: 228.135 Fd-3c1' Operators: (1|0,0,0) (4x|1/4,1/2,1/4) (4x-1|1/4,1/4,1/2) (4y|1/4,1/4,1/2) (4y-1|1/2,1/4,1/4) (4z|1/2,1/4,1/4) (4z-1|1/4,1/2,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/4,1/4) (2-yz|1/2,1/2,1/2) (2xz|1/4,1/2,1/4) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,1/2,1/4) (-4x-1|1/4,1/4,1/2) (-4y|1/4,1/4,1/2) (-4y-1|1/2,1/4,1/4) (-4z|1/2,1/4,1/4) (-4z-1|1/4,1/2,1/4) (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/4,1/4) (m-yz|1/2,1/2,1/2) (mxz|1/4,1/2,1/4) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) (1|0,0,0)' (4x|1/4,1/2,1/4)' (4x-1|1/4,1/4,1/2)' (4y|1/4,1/4,1/2)' (4y-1|1/2,1/4,1/4)' (4z|1/2,1/4,1/4)' (4z-1|1/4,1/2,1/4)' (2x|0,1/4,1/4)' (2y|1/4,0,1/4)' (2z|1/4,1/4,0)' (2xy|1/4,1/4,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/4,1/4)' (2-yz|1/2,1/2,1/2)' (2xz|1/4,1/2,1/4)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/4,0,1/4)' (3-xyz-1|1/4,1/4,0)' (3x-yz|1/4,1/4,0)' (3x-yz-1|0,1/4,1/4)' (3xy-z|0,1/4,1/4)' (3xy-z-1|1/4,0,1/4)' (-1|0,0,0)' (-4x|1/4,1/2,1/4)' (-4x-1|1/4,1/4,1/2)' (-4y|1/4,1/4,1/2)' (-4y-1|1/2,1/4,1/4)' (-4z|1/2,1/4,1/4)' (-4z-1|1/4,1/2,1/4)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/4,1/4)' (m-yz|1/2,1/2,1/2)' (mxz|1/4,1/2,1/4)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;0,0,0) (x+1/4,-z+1/2,y+1/4;0,0,0) (x+1/4,z+1/4,-y+1/2;0,0,0) (z+1/4,y+1/4,-x+1/2;0,0,0) (-z+1/2,y+1/4,x+1/4;0,0,0) (-y+1/2,x+1/4,z+1/4;0,0,0) (y+1/4,-x+1/2,z+1/4;0,0,0) (x,-y+1/4,-z+1/4;0,0,0) (-x+1/4,y,-z+1/4;0,0,0) (-x+1/4,-y+1/4,z;0,0,0) (y+1/4,x+1/4,-z+1/2;0,0,0) (-y+1/2,-x+1/2,-z+1/2;0,0,0) (-x+1/2,z+1/4,y+1/4;0,0,0) (-x+1/2,-z+1/2,-y+1/2;0,0,0) (z+1/4,-y+1/2,x+1/4;0,0,0) (-z+1/2,-y+1/2,-x+1/2;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/4,z,-x+1/4;0,0,0) (-z+1/4,-x+1/4,y;0,0,0) (-y+1/4,-z+1/4,x;0,0,0) (z,-x+1/4,-y+1/4;0,0,0) (y,-z+1/4,-x+1/4;0,0,0) (-z+1/4,x,-y+1/4;0,0,0) (-x,-y,-z;0,0,0) (-x+1/4,z+1/2,-y+1/4;0,0,0) (-x+1/4,-z+1/4,y+1/2;0,0,0) (-z+1/4,-y+1/4,x+1/2;0,0,0) (z+1/2,-y+1/4,-x+1/4;0,0,0) (y+1/2,-x+1/4,-z+1/4;0,0,0) (-y+1/4,x+1/2,-z+1/4;0,0,0) (-x,y+1/4,z+1/4;0,0,0) (x+1/4,-y,z+1/4;0,0,0) (x+1/4,y+1/4,-z;0,0,0) (-y+1/4,-x+1/4,z+1/2;0,0,0) (y+1/2,x+1/2,z+1/2;0,0,0) (x+1/2,-z+1/4,-y+1/4;0,0,0) (x+1/2,z+1/2,y+1/2;0,0,0) (-z+1/4,y+1/2,-x+1/4;0,0,0) (z+1/2,y+1/2,x+1/2;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/4,-z,x+1/4;0,0,0) (z+1/4,x+1/4,-y;0,0,0) (y+1/4,z+1/4,-x;0,0,0) (-z,x+1/4,y+1/4;0,0,0) (-y,z+1/4,x+1/4;0,0,0) (z+1/4,-x,y+1/4;0,0,0) 96g (1/4,y,-y;0,0,0) (0,y,y+1/4;0,0,0) (0,-y+1/4,-y;0,0,0) (-y+1/4,y+1/4,1/4;0,0,0) (y,y+1/4,0;0,0,0) (-y,0,-y+1/4;0,0,0) (y+1/4,1/4,-y+1/4;0,0,0) (1/4,-y+1/4,y+1/4;0,0,0) (y+1/4,0,y;0,0,0) (-y,1/4,y;0,0,0) (-y+1/4,-y,0;0,0,0) (y,-y,1/4;0,0,0) (3/4,-y,y;0,0,0) (1/2,-y,-y+1/4;0,0,0) (1/2,y+1/4,y;0,0,0) (y+1/4,-y+1/4,3/4;0,0,0) (-y,-y+1/4,1/2;0,0,0) (y,1/2,y+1/4;0,0,0) (-y+1/4,3/4,y+1/4;0,0,0) (3/4,y+1/4,-y+1/4;0,0,0) (-y+1/4,1/2,-y;0,0,0) (y,3/4,-y;0,0,0) (y+1/4,y,1/2;0,0,0) (-y,y,3/4;0,0,0) 96f (x,1/8,1/8;0,0,0) (x+1/4,3/8,3/8;0,0,0) (3/8,3/8,-x+1/2;0,0,0) (3/8,3/8,x+1/4;0,0,0) (3/8,x+1/4,3/8;0,0,0) (3/8,-x+1/2,3/8;0,0,0) (-x+1/4,1/8,1/8;0,0,0) (-x+1/2,3/8,3/8;0,0,0) (1/8,x,1/8;0,0,0) (1/8,1/8,x;0,0,0) (1/8,1/8,-x+1/4;0,0,0) (1/8,-x+1/4,1/8;0,0,0) (-x,7/8,7/8;0,0,0) (-x+1/4,5/8,1/8;0,0,0) (5/8,5/8,x+1/2;0,0,0) (5/8,1/8,-x+1/4;0,0,0) (5/8,-x+1/4,1/8;0,0,0) (5/8,x+1/2,5/8;0,0,0) (x+1/4,7/8,3/8;0,0,0) (x+1/2,5/8,5/8;0,0,0) (7/8,-x,7/8;0,0,0) (7/8,7/8,-x;0,0,0) (7/8,3/8,x+1/4;0,0,0) (7/8,x+1/4,3/8;0,0,0) 64e (x,x,x;0,0,0) (x+1/4,-x+1/2,x+1/4;0,0,0) (x+1/4,x+1/4,-x+1/2;0,0,0) (-x+1/2,x+1/4,x+1/4;0,0,0) (x,-x+1/4,-x+1/4;0,0,0) (-x+1/4,x,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) (-x,-x,-x;0,0,0) (-x+1/4,x+1/2,-x+1/4;0,0,0) (-x+1/4,-x+1/4,x+1/2;0,0,0) (x+1/2,-x+1/4,-x+1/4;0,0,0) (-x,x+1/4,x+1/4;0,0,0) (x+1/4,-x,x+1/4;0,0,0) (x+1/4,x+1/4,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) 48d (7/8,1/8,1/8;0,0,0) (1/8,3/8,3/8;0,0,0) (3/8,3/8,5/8;0,0,0) (3/8,3/8,1/8;0,0,0) (3/8,1/8,3/8;0,0,0) (3/8,5/8,3/8;0,0,0) (3/8,1/8,1/8;0,0,0) (5/8,3/8,3/8;0,0,0) (1/8,7/8,1/8;0,0,0) (1/8,1/8,7/8;0,0,0) (1/8,1/8,3/8;0,0,0) (1/8,3/8,1/8;0,0,0) 32c (0,0,0;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/2,1/2,1/2;0,0,0) 32b (1/4,1/4,1/4;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (1/4,0,0;0,0,0) (3/4,3/4,3/4;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (3/4,1/2,1/2;0,0,0) 16a (1/8,1/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 228.3.1635 Fd'-3'c UNI: 228.136 Fd'-3'c BNS: 228.136 Fd'-3'c Operators: (1|0,0,0) (4x|1/4,1/2,1/4)' (4x-1|1/4,1/4,1/2)' (4y|1/4,1/4,1/2)' (4y-1|1/2,1/4,1/4)' (4z|1/2,1/4,1/4)' (4z-1|1/4,1/2,1/4)' (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/4,1/4)' (2-yz|1/2,1/2,1/2)' (2xz|1/4,1/2,1/4)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0)' (-4x|1/4,1/2,1/4) (-4x-1|1/4,1/4,1/2) (-4y|1/4,1/4,1/2) (-4y-1|1/2,1/4,1/4) (-4z|1/2,1/4,1/4) (-4z-1|1/4,1/2,1/4) (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/4,1/4) (m-yz|1/2,1/2,1/2) (mxz|1/4,1/2,1/4) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;mx,my,mz) (x+1/4,-z+1/2,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y+1/2;-mx,-mz,my) (z+1/4,y+1/4,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/4,x+1/4;mz,-my,-mx) (-y+1/2,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/2,z+1/4;-my,mx,-mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/4,y+1/4;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/4,-y+1/2,x+1/4;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z+1/2,-y+1/4;mx,-mz,my) (-x+1/4,-z+1/4,y+1/2;mx,mz,-my) (-z+1/4,-y+1/4,x+1/2;mz,my,-mx) (z+1/2,-y+1/4,-x+1/4;-mz,my,mx) (y+1/2,-x+1/4,-z+1/4;-my,mx,mz) (-y+1/4,x+1/2,-z+1/4;my,-mx,mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) (-y+1/4,-x+1/4,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/4,-y+1/4;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/4,y+1/2,-x+1/4;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/4,-z,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y;mz,mx,-my) (y+1/4,z+1/4,-x;my,mz,-mx) (-z,x+1/4,y+1/4;-mz,mx,my) (-y,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x,y+1/4;mz,-mx,my) 96g (1/4,y,-y;mx,my,my) (0,y,y+1/4;-mx,my,-my) (0,-y+1/4,-y;-mx,-my,my) (-y+1/4,y+1/4,1/4;-my,-my,mx) (y,y+1/4,0;my,-my,-mx) (-y,0,-y+1/4;my,-mx,-my) (y+1/4,1/4,-y+1/4;-my,mx,-my) (1/4,-y+1/4,y+1/4;mx,-my,-my) (y+1/4,0,y;-my,-mx,my) (-y,1/4,y;my,mx,my) (-y+1/4,-y,0;-my,my,-mx) (y,-y,1/4;my,my,mx) (3/4,-y+1/2,y+1/2;-mx,-my,-my) (0,-y+1/2,-y+1/4;mx,-my,my) (0,y+1/4,y+1/2;mx,my,-my) (y+1/4,-y+1/4,3/4;my,my,-mx) (-y+1/2,-y+1/4,0;-my,my,mx) (y+1/2,0,y+1/4;-my,mx,my) (-y+1/4,3/4,y+1/4;my,-mx,my) (3/4,y+1/4,-y+1/4;-mx,my,my) (-y+1/4,0,-y+1/2;my,mx,-my) (y+1/2,3/4,-y+1/2;-my,-mx,-my) (y+1/4,y+1/2,0;my,-my,mx) (-y+1/2,y+1/2,3/4;-my,-my,-mx) 96f (x,1/8,1/8;mx,0,0) (x+1/4,3/8,3/8;-mx,0,0) (3/8,3/8,-x+1/2;0,0,mx) (3/8,3/8,x+1/4;0,0,-mx) (3/8,x+1/4,3/8;0,-mx,0) (3/8,-x+1/2,3/8;0,mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x+1/2,3/8,3/8;mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) (-x,7/8,7/8;-mx,0,0) (-x+1/4,5/8,1/8;mx,0,0) (5/8,5/8,x+1/2;0,0,-mx) (5/8,1/8,-x+1/4;0,0,mx) (5/8,-x+1/4,1/8;0,mx,0) (5/8,x+1/2,5/8;0,-mx,0) (x+1/4,7/8,3/8;mx,0,0) (x+1/2,5/8,5/8;-mx,0,0) (7/8,-x,7/8;0,-mx,0) (7/8,7/8,-x;0,0,-mx) (7/8,3/8,x+1/4;0,0,mx) (7/8,x+1/4,3/8;0,mx,0) 64e (x,x,x;mx,mx,mx) (x+1/4,-x+1/2,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/4,x+1/4;mx,-mx,-mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/4,x+1/2,-x+1/4;mx,-mx,mx) (-x+1/4,-x+1/4,x+1/2;mx,mx,-mx) (x+1/2,-x+1/4,-x+1/4;-mx,mx,mx) (-x,x+1/4,x+1/4;-mx,mx,mx) (x+1/4,-x,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 48d (7/8,1/8,1/8;mx,0,0) (1/8,3/8,3/8;-mx,0,0) (3/8,3/8,5/8;0,0,mx) (3/8,3/8,1/8;0,0,-mx) (3/8,1/8,3/8;0,-mx,0) (3/8,5/8,3/8;0,mx,0) (3/8,1/8,1/8;-mx,0,0) (5/8,3/8,3/8;mx,0,0) (1/8,7/8,1/8;0,mx,0) (1/8,1/8,7/8;0,0,mx) (1/8,1/8,3/8;0,0,-mx) (1/8,3/8,1/8;0,-mx,0) 32c (0,0,0;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/2,1/2,1/2;0,0,0) 32b (1/4,1/4,1/4;mx,mx,mx) (0,1/4,0;-mx,mx,-mx) (0,0,1/4;-mx,-mx,mx) (1/4,0,0;mx,-mx,-mx) (3/4,3/4,3/4;-mx,-mx,-mx) (0,3/4,0;mx,-mx,mx) (0,0,3/4;mx,mx,-mx) (3/4,0,0;-mx,mx,mx) 16a (1/8,1/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 228.4.1636 Fd-3c' UNI: 228.137 Fd-3c' BNS: 228.137 Fd-3c' Operators: (1|0,0,0) (4x|1/4,1/2,1/4)' (4x-1|1/4,1/4,1/2)' (4y|1/4,1/4,1/2)' (4y-1|1/2,1/4,1/4)' (4z|1/2,1/4,1/4)' (4z-1|1/4,1/2,1/4)' (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/4,1/4)' (2-yz|1/2,1/2,1/2)' (2xz|1/4,1/2,1/4)' (2-xz|1/2,1/2,1/2)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0) (-4x|1/4,1/2,1/4)' (-4x-1|1/4,1/4,1/2)' (-4y|1/4,1/4,1/2)' (-4y-1|1/2,1/4,1/4)' (-4z|1/2,1/4,1/4)' (-4z-1|1/4,1/2,1/4)' (mx|0,1/4,1/4) (my|1/4,0,1/4) (mz|1/4,1/4,0) (mxy|1/4,1/4,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/4,1/4)' (m-yz|1/2,1/2,1/2)' (mxz|1/4,1/2,1/4)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/4,0,1/4) (-3-xyz-1|1/4,1/4,0) (-3x-yz|1/4,1/4,0) (-3x-yz-1|0,1/4,1/4) (-3xy-z|0,1/4,1/4) (-3xy-z-1|1/4,0,1/4) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;mx,my,mz) (x+1/4,-z+1/2,y+1/4;-mx,mz,-my) (x+1/4,z+1/4,-y+1/2;-mx,-mz,my) (z+1/4,y+1/4,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/4,x+1/4;mz,-my,-mx) (-y+1/2,x+1/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/2,z+1/4;-my,mx,-mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/4,y+1/4;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/4,-y+1/2,x+1/4;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z+1/2,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y+1/2;-mx,-mz,my) (-z+1/4,-y+1/4,x+1/2;-mz,-my,mx) (z+1/2,-y+1/4,-x+1/4;mz,-my,-mx) (y+1/2,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/2,-z+1/4;-my,mx,-mz) (-x,y+1/4,z+1/4;mx,-my,-mz) (x+1/4,-y,z+1/4;-mx,my,-mz) (x+1/4,y+1/4,-z;-mx,-my,mz) (-y+1/4,-x+1/4,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/4,-y+1/4;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/4,y+1/2,-x+1/4;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/4,-z,x+1/4;-my,mz,-mx) (z+1/4,x+1/4,-y;-mz,-mx,my) (y+1/4,z+1/4,-x;-my,-mz,mx) (-z,x+1/4,y+1/4;mz,-mx,-my) (-y,z+1/4,x+1/4;my,-mz,-mx) (z+1/4,-x,y+1/4;-mz,mx,-my) 96g (1/4,y,-y;mx,my,my) (0,y,y+1/4;-mx,my,-my) (0,-y+1/4,-y;-mx,-my,my) (-y+1/4,y+1/4,1/4;-my,-my,mx) (y,y+1/4,0;my,-my,-mx) (-y,0,-y+1/4;my,-mx,-my) (y+1/4,1/4,-y+1/4;-my,mx,-my) (1/4,-y+1/4,y+1/4;mx,-my,-my) (y+1/4,0,y;-my,-mx,my) (-y,1/4,y;my,mx,my) (-y+1/4,-y,0;-my,my,-mx) (y,-y,1/4;my,my,mx) (3/4,-y,y;mx,my,my) (1/2,-y,-y+1/4;-mx,my,-my) (1/2,y+1/4,y;-mx,-my,my) (y+1/4,-y+1/4,3/4;-my,-my,mx) (-y,-y+1/4,1/2;my,-my,-mx) (y,1/2,y+1/4;my,-mx,-my) (-y+1/4,3/4,y+1/4;-my,mx,-my) (3/4,y+1/4,-y+1/4;mx,-my,-my) (-y+1/4,1/2,-y;-my,-mx,my) (y,3/4,-y;my,mx,my) (y+1/4,y,1/2;-my,my,-mx) (-y,y,3/4;my,my,mx) 96f (x,1/8,1/8;mx,0,0) (x+1/4,3/8,3/8;-mx,0,0) (3/8,3/8,-x+1/2;0,0,mx) (3/8,3/8,x+1/4;0,0,-mx) (3/8,x+1/4,3/8;0,-mx,0) (3/8,-x+1/2,3/8;0,mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x+1/2,3/8,3/8;mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) (-x,7/8,7/8;mx,0,0) (-x+1/4,5/8,1/8;-mx,0,0) (5/8,5/8,x+1/2;0,0,mx) (5/8,1/8,-x+1/4;0,0,-mx) (5/8,-x+1/4,1/8;0,-mx,0) (5/8,x+1/2,5/8;0,mx,0) (x+1/4,7/8,3/8;-mx,0,0) (x+1/2,5/8,5/8;mx,0,0) (7/8,-x,7/8;0,mx,0) (7/8,7/8,-x;0,0,mx) (7/8,3/8,x+1/4;0,0,-mx) (7/8,x+1/4,3/8;0,-mx,0) 64e (x,x,x;mx,mx,mx) (x+1/4,-x+1/2,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x+1/2;-mx,-mx,mx) (-x+1/2,x+1/4,x+1/4;mx,-mx,-mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x,-x,-x;mx,mx,mx) (-x+1/4,x+1/2,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/4,-x+1/4;mx,-mx,-mx) (-x,x+1/4,x+1/4;mx,-mx,-mx) (x+1/4,-x,x+1/4;-mx,mx,-mx) (x+1/4,x+1/4,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 48d (7/8,1/8,1/8;0,0,0) (1/8,7/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (7/8,7/8,1/8;0,0,0) (7/8,1/8,7/8;0,0,0) (7/8,1/8,3/8;0,0,0) (3/8,1/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) (1/8,7/8,1/8;0,0,0) (1/8,1/8,7/8;0,0,0) (1/8,1/8,3/8;0,0,0) (1/8,3/8,1/8;0,0,0) 32c (0,0,0;mx,mx,mx) (1/4,1/2,1/4;-mx,mx,-mx) (1/4,1/4,1/2;-mx,-mx,mx) (1/2,1/4,1/4;mx,-mx,-mx) (0,1/4,1/4;mx,-mx,-mx) (1/4,0,1/4;-mx,mx,-mx) (1/4,1/4,0;-mx,-mx,mx) (1/2,1/2,1/2;mx,mx,mx) 32b (1/4,1/4,1/4;mx,mx,mx) (0,1/4,0;-mx,mx,-mx) (0,0,1/4;-mx,-mx,mx) (1/4,0,0;mx,-mx,-mx) (3/4,3/4,3/4;mx,mx,mx) (1/2,3/4,1/2;-mx,mx,-mx) (1/2,1/2,3/4;-mx,-mx,mx) (3/4,1/2,1/2;mx,-mx,-mx) 16a (1/8,1/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 228.5.1637 Fd'-3'c' UNI: 228.138 Fd'-3'c' BNS: 228.138 Fd'-3'c' Operators: (1|0,0,0) (4x|1/4,1/2,1/4) (4x-1|1/4,1/4,1/2) (4y|1/4,1/4,1/2) (4y-1|1/2,1/4,1/4) (4z|1/2,1/4,1/4) (4z-1|1/4,1/2,1/4) (2x|0,1/4,1/4) (2y|1/4,0,1/4) (2z|1/4,1/4,0) (2xy|1/4,1/4,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/4,1/4) (2-yz|1/2,1/2,1/2) (2xz|1/4,1/2,1/4) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/4,0,1/4) (3-xyz-1|1/4,1/4,0) (3x-yz|1/4,1/4,0) (3x-yz-1|0,1/4,1/4) (3xy-z|0,1/4,1/4) (3xy-z-1|1/4,0,1/4) (-1|0,0,0)' (-4x|1/4,1/2,1/4)' (-4x-1|1/4,1/4,1/2)' (-4y|1/4,1/4,1/2)' (-4y-1|1/2,1/4,1/4)' (-4z|1/2,1/4,1/4)' (-4z-1|1/4,1/2,1/4)' (mx|0,1/4,1/4)' (my|1/4,0,1/4)' (mz|1/4,1/4,0)' (mxy|1/4,1/4,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/4,1/4)' (m-yz|1/2,1/2,1/2)' (mxz|1/4,1/2,1/4)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/4,0,1/4)' (-3-xyz-1|1/4,1/4,0)' (-3x-yz|1/4,1/4,0)' (-3x-yz-1|0,1/4,1/4)' (-3xy-z|0,1/4,1/4)' (-3xy-z-1|1/4,0,1/4)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (0,1/2,1/2)+ (1/2,0,1/2)+ (1/2,1/2,0)+ 192h (x,y,z;mx,my,mz) (x+1/4,-z+1/2,y+1/4;mx,-mz,my) (x+1/4,z+1/4,-y+1/2;mx,mz,-my) (z+1/4,y+1/4,-x+1/2;mz,my,-mx) (-z+1/2,y+1/4,x+1/4;-mz,my,mx) (-y+1/2,x+1/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/2,z+1/4;my,-mx,mz) (x,-y+1/4,-z+1/4;mx,-my,-mz) (-x+1/4,y,-z+1/4;-mx,my,-mz) (-x+1/4,-y+1/4,z;-mx,-my,mz) (y+1/4,x+1/4,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/4,y+1/4;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/4,-y+1/2,x+1/4;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/4,z,-x+1/4;-my,mz,-mx) (-z+1/4,-x+1/4,y;-mz,-mx,my) (-y+1/4,-z+1/4,x;-my,-mz,mx) (z,-x+1/4,-y+1/4;mz,-mx,-my) (y,-z+1/4,-x+1/4;my,-mz,-mx) (-z+1/4,x,-y+1/4;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z+1/2,-y+1/4;-mx,mz,-my) (-x+1/4,-z+1/4,y+1/2;-mx,-mz,my) (-z+1/4,-y+1/4,x+1/2;-mz,-my,mx) (z+1/2,-y+1/4,-x+1/4;mz,-my,-mx) (y+1/2,-x+1/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/2,-z+1/4;-my,mx,-mz) (-x,y+1/4,z+1/4;-mx,my,mz) (x+1/4,-y,z+1/4;mx,-my,mz) (x+1/4,y+1/4,-z;mx,my,-mz) (-y+1/4,-x+1/4,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/4,-y+1/4;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/4,y+1/2,-x+1/4;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/4,-z,x+1/4;my,-mz,mx) (z+1/4,x+1/4,-y;mz,mx,-my) (y+1/4,z+1/4,-x;my,mz,-mx) (-z,x+1/4,y+1/4;-mz,mx,my) (-y,z+1/4,x+1/4;-my,mz,mx) (z+1/4,-x,y+1/4;mz,-mx,my) 96g (1/4,y,-y;0,my,-my) (0,y,y+1/4;0,my,my) (0,-y+1/4,-y;0,-my,-my) (-y+1/4,y+1/4,1/4;-my,my,0) (y,y+1/4,0;my,my,0) (-y,0,-y+1/4;-my,0,-my) (y+1/4,1/4,-y+1/4;my,0,-my) (1/4,-y+1/4,y+1/4;0,-my,my) (y+1/4,0,y;my,0,my) (-y,1/4,y;-my,0,my) (-y+1/4,-y,0;-my,-my,0) (y,-y,1/4;my,-my,0) (3/4,-y,y;0,-my,my) (1/2,-y,-y+1/4;0,-my,-my) (1/2,y+1/4,y;0,my,my) (y+1/4,-y+1/4,3/4;my,-my,0) (-y,-y+1/4,1/2;-my,-my,0) (y,1/2,y+1/4;my,0,my) (-y+1/4,3/4,y+1/4;-my,0,my) (3/4,y+1/4,-y+1/4;0,my,-my) (-y+1/4,1/2,-y;-my,0,-my) (y,3/4,-y;my,0,-my) (y+1/4,y,1/2;my,my,0) (-y,y,3/4;-my,my,0) 96f (x,1/8,1/8;mx,0,0) (x+1/4,3/8,3/8;mx,0,0) (3/8,3/8,-x+1/2;0,0,-mx) (3/8,3/8,x+1/4;0,0,mx) (3/8,x+1/4,3/8;0,mx,0) (3/8,-x+1/2,3/8;0,-mx,0) (-x+1/4,1/8,1/8;-mx,0,0) (-x+1/2,3/8,3/8;-mx,0,0) (1/8,x,1/8;0,mx,0) (1/8,1/8,x;0,0,mx) (1/8,1/8,-x+1/4;0,0,-mx) (1/8,-x+1/4,1/8;0,-mx,0) (-x,7/8,7/8;-mx,0,0) (-x+1/4,5/8,1/8;-mx,0,0) (5/8,5/8,x+1/2;0,0,mx) (5/8,1/8,-x+1/4;0,0,-mx) (5/8,-x+1/4,1/8;0,-mx,0) (5/8,x+1/2,5/8;0,mx,0) (x+1/4,7/8,3/8;mx,0,0) (x+1/2,5/8,5/8;mx,0,0) (7/8,-x,7/8;0,-mx,0) (7/8,7/8,-x;0,0,-mx) (7/8,3/8,x+1/4;0,0,mx) (7/8,x+1/4,3/8;0,mx,0) 64e (x,x,x;mx,mx,mx) (x+1/4,-x+1/2,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/4,x+1/4;-mx,mx,mx) (x,-x+1/4,-x+1/4;mx,-mx,-mx) (-x+1/4,x,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/4,x+1/2,-x+1/4;-mx,mx,-mx) (-x+1/4,-x+1/4,x+1/2;-mx,-mx,mx) (x+1/2,-x+1/4,-x+1/4;mx,-mx,-mx) (-x,x+1/4,x+1/4;-mx,mx,mx) (x+1/4,-x,x+1/4;mx,-mx,mx) (x+1/4,x+1/4,-x;mx,mx,-mx) (x+1/2,x+1/2,x+1/2;mx,mx,mx) 48d (7/8,1/8,1/8;0,0,0) (1/8,3/8,3/8;0,0,0) (3/8,3/8,5/8;0,0,0) (3/8,3/8,1/8;0,0,0) (3/8,1/8,3/8;0,0,0) (3/8,5/8,3/8;0,0,0) (3/8,1/8,1/8;0,0,0) (5/8,3/8,3/8;0,0,0) (1/8,7/8,1/8;0,0,0) (1/8,1/8,7/8;0,0,0) (1/8,1/8,3/8;0,0,0) (1/8,3/8,1/8;0,0,0) 32c (0,0,0;0,0,0) (1/4,1/2,1/4;0,0,0) (1/4,1/4,1/2;0,0,0) (1/2,1/4,1/4;0,0,0) (0,1/4,1/4;0,0,0) (1/4,0,1/4;0,0,0) (1/4,1/4,0;0,0,0) (1/2,1/2,1/2;0,0,0) 32b (1/4,1/4,1/4;0,0,0) (0,1/4,0;0,0,0) (0,0,1/4;0,0,0) (1/4,0,0;0,0,0) (3/4,3/4,3/4;0,0,0) (1/2,3/4,1/2;0,0,0) (1/2,1/2,3/4;0,0,0) (3/4,1/2,1/2;0,0,0) 16a (1/8,1/8,1/8;0,0,0) (3/8,3/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,5/8,5/8;0,0,0) ---------- OG: 229.1.1638 Im-3m UNI: 229.140 Im-3m.1 BNS: 229.140 Im-3m Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 48k (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 48j (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 48i (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (3/4,-y,y+1/2;0,my,-my) (1/4,-y,-y+1/2;0,my,my) (1/4,y,y+1/2;0,-my,-my) (y,-y+1/2,3/4;-my,my,0) (-y,-y+1/2,1/4;my,my,0) (y+1/2,1/4,y;-my,0,-my) (-y+1/2,3/4,y;my,0,-my) (3/4,y,-y+1/2;0,-my,my) (-y+1/2,1/4,-y;my,0,my) (y+1/2,3/4,-y;-my,0,my) (y,y+1/2,1/4;-my,-my,0) (-y,y+1/2,3/4;my,-my,0) 24h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 24g (x,0,1/2;0,0,0) (x,1/2,0;0,0,0) (1/2,0,-x;0,0,0) (1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 229.2.1639 Im-3m1' UNI: 229.141 Im-3m.1' BNS: 229.141 Im-3m1' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|0,0,0)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0)' (2y|0,0,0)' (2z|0,0,0)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|0,0,0)' (3-xyz-1|0,0,0)' (3x-yz|0,0,0)' (3x-yz-1|0,0,0)' (3xy-z|0,0,0)' (3xy-z-1|0,0,0)' (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96l (x,y,z;0,0,0) (x,-z,y;0,0,0) (x,z,-y;0,0,0) (z,y,-x;0,0,0) (-z,y,x;0,0,0) (-y,x,z;0,0,0) (y,-x,z;0,0,0) (x,-y,-z;0,0,0) (-x,y,-z;0,0,0) (-x,-y,z;0,0,0) (y,x,-z;0,0,0) (-y,-x,-z;0,0,0) (-x,z,y;0,0,0) (-x,-z,-y;0,0,0) (z,-y,x;0,0,0) (-z,-y,-x;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y,z,-x;0,0,0) (-z,-x,y;0,0,0) (-y,-z,x;0,0,0) (z,-x,-y;0,0,0) (y,-z,-x;0,0,0) (-z,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x,z,-y;0,0,0) (-x,-z,y;0,0,0) (-z,-y,x;0,0,0) (z,-y,-x;0,0,0) (y,-x,-z;0,0,0) (-y,x,-z;0,0,0) (-x,y,z;0,0,0) (x,-y,z;0,0,0) (x,y,-z;0,0,0) (-y,-x,z;0,0,0) (y,x,z;0,0,0) (x,-z,-y;0,0,0) (x,z,y;0,0,0) (-z,y,-x;0,0,0) (z,y,x;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y,-z,x;0,0,0) (z,x,-y;0,0,0) (y,z,-x;0,0,0) (-z,x,y;0,0,0) (-y,z,x;0,0,0) (z,-x,y;0,0,0) 48k (x,x,z;0,0,0) (x,-z,x;0,0,0) (x,z,-x;0,0,0) (z,x,-x;0,0,0) (-z,x,x;0,0,0) (-x,x,z;0,0,0) (x,-x,z;0,0,0) (x,-x,-z;0,0,0) (-x,x,-z;0,0,0) (-x,-x,z;0,0,0) (x,x,-z;0,0,0) (-x,-x,-z;0,0,0) (-x,z,x;0,0,0) (-x,-z,-x;0,0,0) (z,-x,x;0,0,0) (-z,-x,-x;0,0,0) (z,x,x;0,0,0) (x,z,x;0,0,0) (-x,z,-x;0,0,0) (-z,-x,x;0,0,0) (-x,-z,x;0,0,0) (z,-x,-x;0,0,0) (x,-z,-x;0,0,0) (-z,x,-x;0,0,0) 48j (0,y,z;0,0,0) (0,-z,y;0,0,0) (0,z,-y;0,0,0) (z,y,0;0,0,0) (-z,y,0;0,0,0) (-y,0,z;0,0,0) (y,0,z;0,0,0) (0,-y,-z;0,0,0) (0,y,-z;0,0,0) (0,-y,z;0,0,0) (y,0,-z;0,0,0) (-y,0,-z;0,0,0) (0,z,y;0,0,0) (0,-z,-y;0,0,0) (z,-y,0;0,0,0) (-z,-y,0;0,0,0) (z,0,y;0,0,0) (y,z,0;0,0,0) (-y,z,0;0,0,0) (-z,0,y;0,0,0) (-y,-z,0;0,0,0) (z,0,-y;0,0,0) (y,-z,0;0,0,0) (-z,0,-y;0,0,0) 48i (1/4,y,-y+1/2;0,0,0) (3/4,y,y+1/2;0,0,0) (3/4,-y,-y+1/2;0,0,0) (-y,y+1/2,1/4;0,0,0) (y,y+1/2,3/4;0,0,0) (-y+1/2,3/4,-y;0,0,0) (y+1/2,1/4,-y;0,0,0) (1/4,-y,y+1/2;0,0,0) (y+1/2,3/4,y;0,0,0) (-y+1/2,1/4,y;0,0,0) (-y,-y+1/2,3/4;0,0,0) (y,-y+1/2,1/4;0,0,0) (3/4,-y,y+1/2;0,0,0) (1/4,-y,-y+1/2;0,0,0) (1/4,y,y+1/2;0,0,0) (y,-y+1/2,3/4;0,0,0) (-y,-y+1/2,1/4;0,0,0) (y+1/2,1/4,y;0,0,0) (-y+1/2,3/4,y;0,0,0) (3/4,y,-y+1/2;0,0,0) (-y+1/2,1/4,-y;0,0,0) (y+1/2,3/4,-y;0,0,0) (y,y+1/2,1/4;0,0,0) (-y,y+1/2,3/4;0,0,0) 24h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) 24g (x,0,1/2;0,0,0) (x,1/2,0;0,0,0) (1/2,0,-x;0,0,0) (1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 229.3.1640 Im'-3'm UNI: 229.142 Im'-3'm BNS: 229.142 Im'-3'm Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96l (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 48k (x,x,z;mx,-mx,0) (x,-z,x;-mx,0,mx) (x,z,-x;-mx,0,-mx) (z,x,-x;0,mx,mx) (-z,x,x;0,mx,-mx) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z,x;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z,-x,x;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) 48j (0,y,z;0,my,mz) (0,-z,y;0,mz,-my) (0,z,-y;0,-mz,my) (z,y,0;-mz,-my,0) (-z,y,0;mz,-my,0) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (0,z,y;0,-mz,-my) (0,-z,-y;0,mz,my) (z,-y,0;-mz,my,0) (-z,-y,0;mz,my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 48i (1/4,y,-y+1/2;mx,my,my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (-y,y+1/2,1/4;-my,-my,mx) (y,y+1/2,3/4;my,-my,-mx) (-y+1/2,3/4,-y;my,-mx,-my) (y+1/2,1/4,-y;-my,mx,-my) (1/4,-y,y+1/2;mx,-my,-my) (y+1/2,3/4,y;-my,-mx,my) (-y+1/2,1/4,y;my,mx,my) (-y,-y+1/2,3/4;-my,my,-mx) (y,-y+1/2,1/4;my,my,mx) (1/4,-y+1/2,y;-mx,-my,-my) (3/4,-y+1/2,-y;mx,-my,my) (3/4,y+1/2,y;mx,my,-my) (y+1/2,-y,1/4;my,my,-mx) (-y+1/2,-y,3/4;-my,my,mx) (y,3/4,y+1/2;-my,mx,my) (-y,1/4,y+1/2;my,-mx,my) (1/4,y+1/2,-y;-mx,my,my) (-y,3/4,-y+1/2;my,mx,-my) (y,1/4,-y+1/2;-my,-mx,-my) (y+1/2,y,3/4;my,-my,mx) (-y+1/2,y,1/4;-my,-my,-mx) 24h (0,y,y;0,my,-my) (0,-y,y;0,-my,-my) (0,y,-y;0,my,my) (y,y,0;my,-my,0) (-y,y,0;-my,-my,0) (-y,0,y;my,0,my) (y,0,y;-my,0,my) (0,-y,-y;0,-my,my) (y,0,-y;-my,0,-my) (-y,0,-y;my,0,-my) (y,-y,0;my,my,0) (-y,-y,0;-my,my,0) 24g (x,0,1/2;mx,0,0) (x,1/2,0;-mx,0,0) (1/2,0,-x;0,0,mx) (1/2,0,x;0,0,-mx) (0,x,1/2;0,-mx,0) (0,-x,1/2;0,mx,0) (-x,0,1/2;-mx,0,0) (-x,1/2,0;mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,0,1/2;mx,0,0) (3/4,0,1/2;-mx,0,0) (0,1/2,1/4;0,0,mx) (0,1/2,3/4;0,0,-mx) (1/2,3/4,0;0,-mx,0) (1/2,1/4,0;0,mx,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 229.4.1641 Im-3m' UNI: 229.143 Im-3m' BNS: 229.143 Im-3m' Operators: (1|0,0,0) (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96l (x,y,z;mx,my,mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) 48k (x,x,z;mx,mx,mz) (x,-z,x;-mx,mz,-mx) (x,z,-x;-mx,-mz,mx) (z,x,-x;-mz,-mx,mx) (-z,x,x;mz,-mx,-mx) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;-mx,-mx,mz) (-x,-x,-z;mx,mx,mz) (-x,z,x;mx,-mz,-mx) (-x,-z,-x;mx,mz,mx) (z,-x,x;-mz,mx,-mx) (-z,-x,-x;mz,mx,mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 48j (0,y,z;mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) 48i (1/4,y,-y+1/2;mx,my,my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (-y,y+1/2,1/4;-my,-my,mx) (y,y+1/2,3/4;my,-my,-mx) (-y+1/2,3/4,-y;my,-mx,-my) (y+1/2,1/4,-y;-my,mx,-my) (1/4,-y,y+1/2;mx,-my,-my) (y+1/2,3/4,y;-my,-mx,my) (-y+1/2,1/4,y;my,mx,my) (-y,-y+1/2,3/4;-my,my,-mx) (y,-y+1/2,1/4;my,my,mx) (3/4,-y,y+1/2;mx,my,my) (1/4,-y,-y+1/2;-mx,my,-my) (1/4,y,y+1/2;-mx,-my,my) (y,-y+1/2,3/4;-my,-my,mx) (-y,-y+1/2,1/4;my,-my,-mx) (y+1/2,1/4,y;my,-mx,-my) (-y+1/2,3/4,y;-my,mx,-my) (3/4,y,-y+1/2;mx,-my,-my) (-y+1/2,1/4,-y;-my,-mx,my) (y+1/2,3/4,-y;my,mx,my) (y,y+1/2,1/4;-my,my,-mx) (-y,y+1/2,3/4;my,my,mx) 24h (0,y,y;mx,0,0) (0,-y,y;-mx,0,0) (0,y,-y;-mx,0,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (y,0,y;0,mx,0) (0,-y,-y;mx,0,0) (y,0,-y;0,-mx,0) (-y,0,-y;0,mx,0) (y,-y,0;0,0,-mx) (-y,-y,0;0,0,mx) 24g (x,0,1/2;0,0,0) (x,1/2,0;0,0,0) (1/2,0,-x;0,0,0) (1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;mx,mx,mx) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 8c (1/4,1/4,1/4;mx,mx,mx) (3/4,1/4,3/4;-mx,mx,-mx) (3/4,3/4,1/4;-mx,-mx,mx) (1/4,3/4,3/4;mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 229.5.1642 Im'-3'm' UNI: 229.144 Im'-3'm' BNS: 229.144 Im'-3'm' Operators: (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 48k (x,x,z;mx,mx,mz) (x,-z,x;mx,-mz,mx) (x,z,-x;mx,mz,-mx) (z,x,-x;mz,mx,-mx) (-z,x,x;-mz,mx,mx) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z,x;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z,-x,x;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) 48j (0,y,z;0,my,mz) (0,-z,y;0,-mz,my) (0,z,-y;0,mz,-my) (z,y,0;mz,my,0) (-z,y,0;-mz,my,0) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,z,y;0,mz,my) (0,-z,-y;0,-mz,-my) (z,-y,0;mz,-my,0) (-z,-y,0;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) 48i (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (3/4,-y,y+1/2;0,-my,my) (1/4,-y,-y+1/2;0,-my,-my) (1/4,y,y+1/2;0,my,my) (y,-y+1/2,3/4;my,-my,0) (-y,-y+1/2,1/4;-my,-my,0) (y+1/2,1/4,y;my,0,my) (-y+1/2,3/4,y;-my,0,my) (3/4,y,-y+1/2;0,my,-my) (-y+1/2,1/4,-y;-my,0,-my) (y+1/2,3/4,-y;my,0,-my) (y,y+1/2,1/4;my,my,0) (-y,y+1/2,3/4;-my,my,0) 24h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) 24g (x,0,1/2;mx,0,0) (x,1/2,0;mx,0,0) (1/2,0,-x;0,0,-mx) (1/2,0,x;0,0,mx) (0,x,1/2;0,mx,0) (0,-x,1/2;0,-mx,0) (-x,0,1/2;-mx,0,0) (-x,1/2,0;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) 12e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) 12d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) 2a (0,0,0;0,0,0) ---------- OG: 229.6.1643 I_Pm-3m UNI: 221.97 Pm-3m.1'_I[Im-3m] BNS: 221.97 P_Im-3m OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 96l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 48k (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-z+1/2,x+1/2;-mx,0,mx) (x+1/2,z+1/2,-x+1/2;-mx,0,-mx) (z+1/2,x+1/2,-x+1/2;0,mx,mx) (-z+1/2,x+1/2,x+1/2;0,mx,-mx) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,z+1/2,x+1/2;mx,0,mx) (-x+1/2,-z+1/2,-x+1/2;mx,0,-mx) (z+1/2,-x+1/2,x+1/2;0,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 48j (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-z+1/2,y+1/2;-mx,0,0) (1/2,z+1/2,-y+1/2;-mx,0,0) (z+1/2,y+1/2,1/2;0,0,mx) (-z+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,z+1/2,y+1/2;mx,0,0) (1/2,-z+1/2,-y+1/2;mx,0,0) (z+1/2,-y+1/2,1/2;0,0,-mx) (-z+1/2,-y+1/2,1/2;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 48i (1/4,y,-y+1/2;mx,my,my) (1/4,y-1/2,y;mx,-my,my) (1/4,-y+1/2,-y;mx,my,-my) (-y+1/2,y,-1/4;my,my,-mx) (y-1/2,y,1/4;-my,my,mx) (-y,1/4,-y+1/2;-my,mx,my) (y,-1/4,-y+1/2;my,-mx,my) (1/4,-y,y-1/2;mx,-my,-my) (-1/4,y,y-1/2;-mx,my,-my) (-1/4,-y,-y+1/2;-mx,-my,my) (y,1/4,y-1/2;my,mx,-my) (-y,-1/4,y-1/2;-my,-mx,-my) (-1/4,-y+1/2,y;-mx,my,my) (-1/4,y-1/2,-y;-mx,-my,-my) (-y+1/2,-y,1/4;my,-my,mx) (y-1/2,-y,-1/4;-my,-my,-mx) (-y+1/2,1/4,y;my,mx,my) (y,-y+1/2,1/4;my,my,mx) (-y,-y+1/2,-1/4;-my,my,-mx) (y-1/2,-1/4,y;-my,-mx,my) (-y,y-1/2,1/4;-my,-my,mx) (-y+1/2,-1/4,-y;my,-mx,-my) (y,y-1/2,-1/4;my,-my,-mx) (y-1/2,1/4,-y;-my,mx,-my) (-1/4,-y,y-1/2;mx,my,my) (-1/4,-y+1/2,-y;mx,-my,my) (-1/4,y-1/2,y;mx,my,-my) (y-1/2,-y,1/4;my,my,-mx) (-y+1/2,-y,-1/4;-my,my,mx) (y,-1/4,y-1/2;-my,mx,my) (-y,1/4,y-1/2;my,-mx,my) (-1/4,y,-y+1/2;mx,-my,-my) (1/4,-y,-y+1/2;-mx,my,-my) (1/4,y,y-1/2;-mx,-my,my) (-y,-1/4,-y+1/2;my,mx,-my) (y,1/4,-y+1/2;-my,-mx,-my) (1/4,y-1/2,-y;-mx,my,my) (1/4,-y+1/2,y;-mx,-my,-my) (y-1/2,y,-1/4;my,-my,mx) (-y+1/2,y,1/4;-my,-my,-mx) (y-1/2,-1/4,-y;my,mx,my) (-y,y-1/2,-1/4;my,my,mx) (y,y-1/2,1/4;-my,my,-mx) (-y+1/2,1/4,-y;-my,-mx,my) (y,-y+1/2,-1/4;-my,-my,mx) (y-1/2,1/4,y;my,-mx,-my) (-y,-y+1/2,1/4;my,-my,-mx) (-y+1/2,-1/4,y;-my,mx,-my) 24h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) (1/2,y+1/2,y+1/2;0,0,0) (1/2,-y+1/2,y+1/2;0,0,0) (1/2,y+1/2,-y+1/2;0,0,0) (y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,y+1/2;0,0,0) (y+1/2,1/2,y+1/2;0,0,0) (1/2,-y+1/2,-y+1/2;0,0,0) (y+1/2,1/2,-y+1/2;0,0,0) (-y+1/2,1/2,-y+1/2;0,0,0) (y+1/2,-y+1/2,1/2;0,0,0) (-y+1/2,-y+1/2,1/2;0,0,0) 24g (x,0,1/2;0,0,0) (x,-1/2,0;0,0,0) (-1/2,0,-x;0,0,0) (-1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,-1/2;0,0,0) (-x,0,-1/2;0,0,0) (-x,-1/2,0;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,-1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,1;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,1;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (1,x+1/2,1/2;0,0,0) (1/2,1,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (1,-x+1/2,1/2;0,0,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 12d (1/4,0,1/2;0,0,0) (1/4,-1/2,0;0,0,0) (-1/2,0,-1/4;0,0,0) (-1/2,0,1/4;0,0,0) (0,1/4,1/2;0,0,0) (0,-1/4,-1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (-1/4,-1/2,0;0,0,0) (1/2,1/4,0;0,0,0) (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,-1/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1,1;0,0,0) (1,1,1/2;0,0,0) (1,1/2,1;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 96l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 48k (x,x,z;mx,-mx,0) (x,-z,x;mx,0,-mx) (x,z,-x;mx,0,mx) (z,x,-x;0,-mx,-mx) (-z,x,x;0,-mx,mx) (-x,x,z;mx,mx,0) (x,-x,z;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x,x,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z,x;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z,-x,x;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x+1/2,-z+1/2,x+1/2;-mx,0,mx) (x+1/2,z+1/2,-x+1/2;-mx,0,-mx) (z+1/2,x+1/2,-x+1/2;0,mx,mx) (-z+1/2,x+1/2,x+1/2;0,mx,-mx) (-x+1/2,x+1/2,z+1/2;-mx,-mx,0) (x+1/2,-x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x+1/2,x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,z+1/2,x+1/2;mx,0,mx) (-x+1/2,-z+1/2,-x+1/2;mx,0,-mx) (z+1/2,-x+1/2,x+1/2;0,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 48j (0,y,z;mx,0,0) (0,-z,y;mx,0,0) (0,z,-y;mx,0,0) (z,y,0;0,0,-mx) (-z,y,0;0,0,mx) (-y,0,z;0,mx,0) (y,0,z;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y,0,-z;0,mx,0) (-y,0,-z;0,-mx,0) (0,z,y;-mx,0,0) (0,-z,-y;-mx,0,0) (z,-y,0;0,0,mx) (-z,-y,0;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (1/2,-z+1/2,y+1/2;-mx,0,0) (1/2,z+1/2,-y+1/2;-mx,0,0) (z+1/2,y+1/2,1/2;0,0,mx) (-z+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,1/2,z+1/2;0,-mx,0) (y+1/2,1/2,z+1/2;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y+1/2,1/2,-z+1/2;0,-mx,0) (-y+1/2,1/2,-z+1/2;0,mx,0) (1/2,z+1/2,y+1/2;mx,0,0) (1/2,-z+1/2,-y+1/2;mx,0,0) (z+1/2,-y+1/2,1/2;0,0,-mx) (-z+1/2,-y+1/2,1/2;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 48i (1/4,y,-y+1/2;mx,my,my) (1/4,y+1/2,y;mx,-my,my) (1/4,-y+1/2,-y;mx,my,-my) (-y+1/2,y,3/4;my,my,-mx) (y+1/2,y,1/4;-my,my,mx) (-y,1/4,-y+1/2;-my,mx,my) (y,3/4,-y+1/2;my,-mx,my) (1/4,-y,y+1/2;mx,-my,-my) (3/4,y,y+1/2;-mx,my,-my) (3/4,-y,-y+1/2;-mx,-my,my) (y,1/4,y+1/2;my,mx,-my) (-y,3/4,y+1/2;-my,-mx,-my) (3/4,-y+1/2,y;-mx,my,my) (3/4,y+1/2,-y;-mx,-my,-my) (-y+1/2,-y,1/4;my,-my,mx) (y+1/2,-y,3/4;-my,-my,-mx) (-y+1/2,1/4,y;my,mx,my) (y,-y+1/2,1/4;my,my,mx) (-y,-y+1/2,3/4;-my,my,-mx) (y+1/2,3/4,y;-my,-mx,my) (-y,y+1/2,1/4;-my,-my,mx) (-y+1/2,3/4,-y;my,-mx,-my) (y,y+1/2,3/4;my,-my,-mx) (y+1/2,1/4,-y;-my,mx,-my) (3/4,-y,y+1/2;mx,my,my) (3/4,-y+1/2,-y;mx,-my,my) (3/4,y+1/2,y;mx,my,-my) (y+1/2,-y,1/4;my,my,-mx) (-y+1/2,-y,3/4;-my,my,mx) (y,3/4,y+1/2;-my,mx,my) (-y,1/4,y+1/2;my,-mx,my) (3/4,y,-y+1/2;mx,-my,-my) (1/4,-y,-y+1/2;-mx,my,-my) (1/4,y,y+1/2;-mx,-my,my) (-y,3/4,-y+1/2;my,mx,-my) (y,1/4,-y+1/2;-my,-mx,-my) (1/4,y+1/2,-y;-mx,my,my) (1/4,-y+1/2,y;-mx,-my,-my) (y+1/2,y,3/4;my,-my,mx) (-y+1/2,y,1/4;-my,-my,-mx) (y+1/2,3/4,-y;my,mx,my) (-y,y+1/2,3/4;my,my,mx) (y,y+1/2,1/4;-my,my,-mx) (-y+1/2,1/4,-y;-my,-mx,my) (y,-y+1/2,3/4;-my,-my,mx) (y+1/2,1/4,y;my,-mx,-my) (-y,-y+1/2,1/4;my,-my,-mx) (-y+1/2,3/4,y;-my,mx,-my) 24h (0,y,y;0,0,0) (0,-y,y;0,0,0) (0,y,-y;0,0,0) (y,y,0;0,0,0) (-y,y,0;0,0,0) (-y,0,y;0,0,0) (y,0,y;0,0,0) (0,-y,-y;0,0,0) (y,0,-y;0,0,0) (-y,0,-y;0,0,0) (y,-y,0;0,0,0) (-y,-y,0;0,0,0) (1/2,y+1/2,y+1/2;0,0,0) (1/2,-y+1/2,y+1/2;0,0,0) (1/2,y+1/2,-y+1/2;0,0,0) (y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,y+1/2,1/2;0,0,0) (-y+1/2,1/2,y+1/2;0,0,0) (y+1/2,1/2,y+1/2;0,0,0) (1/2,-y+1/2,-y+1/2;0,0,0) (y+1/2,1/2,-y+1/2;0,0,0) (-y+1/2,1/2,-y+1/2;0,0,0) (y+1/2,-y+1/2,1/2;0,0,0) (-y+1/2,-y+1/2,1/2;0,0,0) 24g (x,0,1/2;0,0,0) (x,1/2,0;0,0,0) (1/2,0,-x;0,0,0) (1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x,0,1/2;0,0,0) (-x,1/2,0;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,0;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x+1/2,1/2,0;0,0,0) (-x+1/2,0,1/2;0,0,0) (0,x+1/2,1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) 16f (x,x,x;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x,-x,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 12e (x,0,0;0,0,0) (0,0,-x;0,0,0) (0,0,x;0,0,0) (0,x,0;0,0,0) (0,-x,0;0,0,0) (-x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x+1/2,1/2,1/2;0,0,0) 12d (1/4,0,1/2;0,0,0) (1/4,1/2,0;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) (3/4,0,1/2;0,0,0) (3/4,1/2,0;0,0,0) (1/2,1/4,0;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,3/4,3/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 229.7.1644 I_Pm'-3'm UNI: 224.115 Pn-3m.1'_I[Im-3m] BNS: 224.115 P_In-3m OG-BNS transformation: (-3/4,-3/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|1/2,1/2,1/2) (-4x|0,0,0) (-4x-1|0,0,0) (-4y|0,0,0) (-4y-1|0,0,0) (-4z|0,0,0) (-4z-1|0,0,0) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mxy|0,0,0) (m-xy|0,0,0) (myz|0,0,0) (m-yz|0,0,0) (mxz|0,0,0) (m-xz|0,0,0) (-3xyz|1/2,1/2,1/2) (-3xyz-1|1/2,1/2,1/2) (-3-xyz|1/2,1/2,1/2) (-3-xyz-1|1/2,1/2,1/2) (-3x-yz|1/2,1/2,1/2) (-3x-yz-1|1/2,1/2,1/2) (-3xy-z|1/2,1/2,1/2) (-3xy-z-1|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|0,0,0)' (-4x|1/2,1/2,1/2)' (-4x-1|1/2,1/2,1/2)' (-4y|1/2,1/2,1/2)' (-4y-1|1/2,1/2,1/2)' (-4z|1/2,1/2,1/2)' (-4z-1|1/2,1/2,1/2)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|1/2,1/2,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,1/2,1/2)' (m-yz|1/2,1/2,1/2)' (mxz|1/2,1/2,1/2)' (m-xz|1/2,1/2,1/2)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 96l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x,z,-y;mx,-mz,my) (-x,-z,y;mx,mz,-my) (-z,-y,x;mz,my,-mx) (z,-y,-x;-mz,my,mx) (y,-x,-z;-my,mx,mz) (-y,x,-z;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y,-x,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z,-y;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z,y,-x;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z+1/2,-x+1/2,-y+1/2;mz,mx,my) (-y+1/2,-z+1/2,-x+1/2;my,mz,mx) (y+1/2,-z+1/2,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y+1/2;-mz,-mx,my) (y+1/2,z+1/2,-x+1/2;-my,-mz,mx) (-z+1/2,x+1/2,y+1/2;mz,-mx,-my) (-y+1/2,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x+1/2,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,-y,-z;-mx,-my,-mz) (-x+1/2,z+1/2,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y+1/2;-mx,-mz,my) (-z+1/2,-y+1/2,x+1/2;-mz,-my,mx) (z+1/2,-y+1/2,-x+1/2;mz,-my,-mx) (y+1/2,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x+1/2,-z+1/2;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y+1/2,-x+1/2,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z+1/2,-y+1/2;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z+1/2,y+1/2,-x+1/2;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 48k (x,x,z;mx,-mx,0) (x+1/2,-z+1/2,x+1/2;mx,0,-mx) (x+1/2,z+1/2,-x+1/2;mx,0,mx) (z+1/2,x+1/2,-x+1/2;0,-mx,-mx) (-z+1/2,x+1/2,x+1/2;0,-mx,mx) (-x+1/2,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x+1/2,z+1/2;-mx,-mx,0) (x,-x,-z;mx,mx,0) (-x,x,-z;-mx,-mx,0) (-x,-x,z;-mx,mx,0) (x+1/2,x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,-x+1/2,-z+1/2;mx,-mx,0) (-x+1/2,z+1/2,x+1/2;-mx,0,-mx) (-x+1/2,-z+1/2,-x+1/2;-mx,0,mx) (z+1/2,-x+1/2,x+1/2;0,mx,mx) (-z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x,z,-x;mx,0,-mx) (-z,-x,x;0,-mx,-mx) (-x,-z,x;mx,0,mx) (z,-x,-x;0,-mx,mx) (x,-z,-x;-mx,0,-mx) (-z,x,-x;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x,-z,x;-mx,0,mx) (x,z,-x;-mx,0,-mx) (z,x,-x;0,mx,mx) (-z,x,x;0,mx,-mx) (-x,x,z;-mx,-mx,0) (x,-x,z;mx,mx,0) (x+1/2,-x+1/2,-z+1/2;-mx,-mx,0) (-x+1/2,x+1/2,-z+1/2;mx,mx,0) (-x+1/2,-x+1/2,z+1/2;mx,-mx,0) (x,x,-z;mx,-mx,0) (-x,-x,-z;-mx,mx,0) (-x,z,x;mx,0,mx) (-x,-z,-x;mx,0,-mx) (z,-x,x;0,-mx,-mx) (-z,-x,-x;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x+1/2,z+1/2,-x+1/2;-mx,0,mx) (-z+1/2,-x+1/2,x+1/2;0,mx,mx) (-x+1/2,-z+1/2,x+1/2;-mx,0,-mx) (z+1/2,-x+1/2,-x+1/2;0,mx,-mx) (x+1/2,-z+1/2,-x+1/2;mx,0,mx) (-z+1/2,x+1/2,-x+1/2;0,-mx,-mx) 48j (0,y,z;0,my,mz) (1/2,-z+1/2,y+1/2;0,-mz,my) (1/2,z+1/2,-y+1/2;0,mz,-my) (z+1/2,y+1/2,1/2;mz,my,0) (-z+1/2,y+1/2,1/2;-mz,my,0) (-y+1/2,1/2,z+1/2;-my,0,mz) (y+1/2,1/2,z+1/2;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y+1/2,1/2,-z+1/2;my,0,-mz) (-y+1/2,1/2,-z+1/2;-my,0,-mz) (1/2,z+1/2,y+1/2;0,mz,my) (1/2,-z+1/2,-y+1/2;0,-mz,-my) (z+1/2,-y+1/2,1/2;mz,-my,0) (-z+1/2,-y+1/2,1/2;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) (1/2,-y+1/2,-z+1/2;0,my,mz) (0,z,-y;0,-mz,my) (0,-z,y;0,mz,-my) (-z,-y,0;mz,my,0) (z,-y,0;-mz,my,0) (y,0,-z;-my,0,mz) (-y,0,-z;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (-y,0,z;my,0,-mz) (y,0,z;-my,0,-mz) (0,-z,-y;0,mz,my) (0,z,y;0,-mz,-my) (-z,y,0;mz,-my,0) (z,y,0;-mz,-my,0) (-z+1/2,1/2,-y+1/2;mz,0,my) (-y+1/2,-z+1/2,1/2;my,mz,0) (y+1/2,-z+1/2,1/2;-my,mz,0) (z+1/2,1/2,-y+1/2;-mz,0,my) (y+1/2,z+1/2,1/2;-my,-mz,0) (-z+1/2,1/2,y+1/2;mz,0,-my) (-y+1/2,z+1/2,1/2;my,-mz,0) (z+1/2,1/2,y+1/2;-mz,0,-my) 48i (1/4,y,-y+1/2;0,my,-my) (-1/4,y,y-1/2;0,my,my) (-1/4,-y,-y+1/2;0,-my,-my) (-y,y-1/2,1/4;-my,my,0) (y,y-1/2,-1/4;my,my,0) (-y+1/2,-1/4,-y;-my,0,-my) (y-1/2,1/4,-y;my,0,-my) (1/4,-y,y-1/2;0,-my,my) (y-1/2,-1/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,-1/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (1/4,-y+1/2,y;0,my,-my) (3/4,-y+1/2,-y+1;0,my,my) (3/4,y+1/2,y;0,-my,-my) (y+1/2,-y+1,1/4;-my,my,0) (-y+1/2,-y+1,3/4;my,my,0) (y,3/4,y+1/2;-my,0,-my) (-y+1,1/4,y+1/2;my,0,-my) (1/4,y+1/2,-y+1;0,-my,my) (-y+1,3/4,-y+1/2;my,0,my) (y,1/4,-y+1/2;-my,0,my) (y+1/2,y,3/4;-my,-my,0) (-y+1/2,y,1/4;my,-my,0) (3/4,y+1/2,-y+1;0,-my,my) (1/4,y+1/2,y;0,-my,-my) (1/4,-y+1/2,-y+1;0,my,my) (-y+1/2,y,3/4;my,-my,0) (y+1/2,y,1/4;-my,-my,0) (-y+1,1/4,-y+1/2;my,0,my) (y,3/4,-y+1/2;-my,0,my) (3/4,-y+1/2,y;0,my,-my) (y,1/4,y+1/2;-my,0,-my) (-y+1,3/4,y+1/2;my,0,-my) (-y+1/2,-y+1,1/4;my,my,0) (y+1/2,-y+1,3/4;-my,my,0) (-1/4,-y,y-1/2;0,-my,my) (1/4,-y,-y+1/2;0,-my,-my) (1/4,y,y-1/2;0,my,my) (y,-y+1/2,-1/4;my,-my,0) (-y,-y+1/2,1/4;-my,-my,0) (y-1/2,1/4,y;my,0,my) (-y+1/2,-1/4,y;-my,0,my) (-1/4,y,-y+1/2;0,my,-my) (-y+1/2,1/4,-y;-my,0,-my) (y-1/2,-1/4,-y;my,0,-my) (y,y-1/2,1/4;my,my,0) (-y,y-1/2,-1/4;-my,my,0) 24h (0,y,y;0,my,-my) (1/2,-y+1/2,y+1/2;0,my,my) (1/2,y+1/2,-y+1/2;0,-my,-my) (y+1/2,y+1/2,1/2;-my,my,0) (-y+1/2,y+1/2,1/2;my,my,0) (-y+1/2,1/2,y+1/2;-my,0,-my) (y+1/2,1/2,y+1/2;my,0,-my) (0,-y,-y;0,-my,my) (0,y,-y;0,my,my) (0,-y,y;0,-my,-my) (y+1/2,1/2,-y+1/2;my,0,my) (-y+1/2,1/2,-y+1/2;-my,0,my) (1/2,y+1/2,y+1/2;0,-my,my) (1/2,-y+1/2,-y+1/2;0,my,-my) (y+1/2,-y+1/2,1/2;-my,-my,0) (-y+1/2,-y+1/2,1/2;my,-my,0) (y,0,y;-my,0,my) (y,y,0;my,-my,0) (-y,y,0;-my,-my,0) (-y,0,y;my,0,my) (-y,-y,0;-my,my,0) (y,0,-y;-my,0,-my) (y,-y,0;my,my,0) (-y,0,-y;my,0,-my) 24g (x,0,1/2;mx,0,0) (x+1/2,0,1/2;mx,0,0) (0,1/2,-x+1/2;0,0,-mx) (0,1/2,x+1/2;0,0,mx) (1/2,x+1/2,1;0,mx,0) (1/2,-x+1/2,0;0,-mx,0) (-x,0,-1/2;-mx,0,0) (-x+1/2,0,1/2;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,-1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (-x,1/2,0;mx,0,0) (1/2,0,x;0,0,-mx) (1/2,0,-x;0,0,mx) (0,-x,-1/2;0,mx,0) (0,x,1/2;0,-mx,0) (x+1/2,1/2,1;-mx,0,0) (x,1/2,0;-mx,0,0) (0,-x+1/2,1/2;0,mx,0) (1/2,0,-x+1/2;0,0,mx) (1/2,1,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) 16f (x,x,x;0,0,0) (x+1/2,-x+1/2,x+1/2;0,0,0) (x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,x+1/2;0,0,0) (x,-x,-x;0,0,0) (-x,x,-x;0,0,0) (-x,-x,x;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x,-x,x;0,0,0) (x,x,-x;0,0,0) (-x,x,x;0,0,0) (x+1/2,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x+1/2,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x+1/2;0,0,0) (-x,-x,-x;0,0,0) 12e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,-1/4,0;0,0,0) (1/2,1/4,0;0,0,0) (1/4,1/2,0;0,0,0) (3/4,1/2,1;0,0,0) (1/2,0,1/4;0,0,0) (1/2,1,3/4;0,0,0) (0,3/4,1/2;0,0,0) (0,1/4,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/2,0,1/2) (4x-1|1/2,1/2,0) (4y|1/2,1/2,0) (4y-1|0,1/2,1/2) (4z|0,1/2,1/2) (4z-1|1/2,0,1/2) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|1/2,1/2,0) (2-xy|0,0,0) (2yz|0,1/2,1/2) (2-yz|0,0,0) (2xz|1/2,0,1/2) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|1/2,0,1/2) (-4x-1|1/2,1/2,0) (-4y|1/2,1/2,0) (-4y-1|0,1/2,1/2) (-4z|0,1/2,1/2) (-4z-1|1/2,0,1/2) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|1/2,1/2,0) (m-xy|0,0,0) (myz|0,1/2,1/2) (m-yz|0,0,0) (mxz|1/2,0,1/2) (m-xz|0,0,0) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1/2,1/2,1/2)' (4x|0,1/2,0)' (4x-1|0,0,1/2)' (4y|0,0,1/2)' (4y-1|1/2,0,0)' (4z|1/2,0,0)' (4z-1|0,1/2,0)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (2xy|0,0,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,0,0)' (2-yz|1/2,1/2,1/2)' (2xz|0,1/2,0)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|0,1/2,0)' (3-xyz-1|0,0,1/2)' (3x-yz|0,0,1/2)' (3x-yz-1|1/2,0,0)' (3xy-z|1/2,0,0)' (3xy-z-1|0,1/2,0)' (-1|1/2,1/2,1/2)' (-4x|0,1/2,0)' (-4x-1|0,0,1/2)' (-4y|0,0,1/2)' (-4y-1|1/2,0,0)' (-4z|1/2,0,0)' (-4z-1|0,1/2,0)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' (mxy|0,0,1/2)' (m-xy|1/2,1/2,1/2)' (myz|1/2,0,0)' (m-yz|1/2,1/2,1/2)' (mxz|0,1/2,0)' (m-xz|1/2,1/2,1/2)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|0,1/2,0)' (-3-xyz-1|0,0,1/2)' (-3x-yz|0,0,1/2)' (-3x-yz-1|1/2,0,0)' (-3xy-z|1/2,0,0)' (-3xy-z-1|0,1/2,0)' Wyckoff positions (BNS): 96l (x,y,z;mx,my,mz) (x+1/2,-z,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y;mx,mz,-my) (z+1/2,y+1/2,-x;mz,my,-mx) (-z,y+1/2,x+1/2;-mz,my,mx) (-y,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x,z+1/2;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y+1/2,x+1/2,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z+1/2,y+1/2;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z+1/2,-y,x+1/2;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y;mx,mz,-my) (-z+1/2,-y+1/2,x;mz,my,-mx) (z,-y+1/2,-x+1/2;-mz,my,mx) (y,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x,-z+1/2;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z;my,mx,-mz) (y,x,z;-my,-mx,-mz) (x,-z+1/2,-y+1/2;-mx,mz,my) (x,z,y;-mx,-mz,-my) (-z+1/2,y,-x+1/2;mz,-my,mx) (z,y,x;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z+1/2,y;-mx,mz,-my) (x,z,-y+1/2;-mx,-mz,my) (z,y,-x+1/2;-mz,-my,mx) (-z+1/2,y,x;mz,-my,-mx) (-y+1/2,x,z;my,-mx,-mz) (y,-x+1/2,z;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y,x,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z,y;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z,-y+1/2,x;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y,z+1/2,-x;my,-mz,mx) (-z,-x,y+1/2;mz,mx,-my) (-y,-z,x+1/2;my,mz,-mx) (z+1/2,-x,-y;-mz,mx,my) (y+1/2,-z,-x;-my,mz,mx) (-z,x+1/2,-y;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,z+1/2,-y;-mx,mz,-my) (-x,-z,y+1/2;-mx,-mz,my) (-z,-y,x+1/2;-mz,-my,mx) (z+1/2,-y,-x;mz,-my,-mx) (y+1/2,-x,-z;my,-mx,-mz) (-y,x+1/2,-z;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y,-x,z+1/2;-my,-mx,mz) (y+1/2,x+1/2,z+1/2;my,mx,mz) (x+1/2,-z,-y;mx,-mz,-my) (x+1/2,z+1/2,y+1/2;mx,mz,my) (-z,y+1/2,-x;-mz,my,-mx) (z+1/2,y+1/2,x+1/2;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y,-z+1/2,x;my,-mz,mx) (z,x,-y+1/2;mz,mx,-my) (y,z,-x+1/2;my,mz,-mx) (-z+1/2,x,y;-mz,mx,my) (-y+1/2,z,x;-my,mz,mx) (z,-x+1/2,y;mz,-mx,my) 48k (x,x,z;mx,-mx,0) (x+1/2,-z,x+1/2;mx,0,-mx) (x+1/2,z+1/2,-x;mx,0,mx) (z+1/2,x+1/2,-x;0,-mx,-mx) (-z,x+1/2,x+1/2;0,-mx,mx) (-x,x+1/2,z+1/2;mx,mx,0) (x+1/2,-x,z+1/2;-mx,-mx,0) (x,-x+1/2,-z+1/2;mx,mx,0) (-x+1/2,x,-z+1/2;-mx,-mx,0) (-x+1/2,-x+1/2,z;-mx,mx,0) (x+1/2,x+1/2,-z;-mx,mx,0) (-x,-x,-z;mx,-mx,0) (-x,z+1/2,x+1/2;-mx,0,-mx) (-x,-z,-x;-mx,0,mx) (z+1/2,-x,x+1/2;0,mx,mx) (-z,-x,-x;0,mx,-mx) (z,x,x;0,mx,-mx) (x,z,x;-mx,0,mx) (-x+1/2,z,-x+1/2;mx,0,-mx) (-z+1/2,-x+1/2,x;0,-mx,-mx) (-x+1/2,-z+1/2,x;mx,0,mx) (z,-x+1/2,-x+1/2;0,-mx,mx) (x,-z+1/2,-x+1/2;-mx,0,-mx) (-z+1/2,x,-x+1/2;0,mx,mx) (x+1/2,x+1/2,z+1/2;-mx,mx,0) (x,-z+1/2,x;-mx,0,mx) (x,z,-x+1/2;-mx,0,-mx) (z,x,-x+1/2;0,mx,mx) (-z+1/2,x,x;0,mx,-mx) (-x+1/2,x,z;-mx,-mx,0) (x,-x+1/2,z;mx,mx,0) (x+1/2,-x,-z;-mx,-mx,0) (-x,x+1/2,-z;mx,mx,0) (-x,-x,z+1/2;mx,-mx,0) (x,x,-z+1/2;mx,-mx,0) (-x+1/2,-x+1/2,-z+1/2;-mx,mx,0) (-x+1/2,z,x;mx,0,mx) (-x+1/2,-z+1/2,-x+1/2;mx,0,-mx) (z,-x+1/2,x;0,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;0,-mx,mx) (z+1/2,x+1/2,x+1/2;0,-mx,mx) (x+1/2,z+1/2,x+1/2;mx,0,-mx) (-x,z+1/2,-x;-mx,0,mx) (-z,-x,x+1/2;0,mx,mx) (-x,-z,x+1/2;-mx,0,-mx) (z+1/2,-x,-x;0,mx,-mx) (x+1/2,-z,-x;mx,0,mx) (-z,x+1/2,-x;0,-mx,-mx) 48j (3/4,y,z;0,my,mz) (1/4,-z,y+1/2;0,-mz,my) (1/4,z+1/2,-y;0,mz,-my) (z+1/2,y+1/2,1/4;mz,my,0) (-z,y+1/2,1/4;-mz,my,0) (-y,1/4,z+1/2;-my,0,mz) (y+1/2,1/4,z+1/2;my,0,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (y+1/2,1/4,-z;my,0,-mz) (-y,1/4,-z;-my,0,-mz) (1/4,z+1/2,y+1/2;0,mz,my) (1/4,-z,-y;0,-mz,-my) (z+1/2,-y,1/4;mz,-my,0) (-z,-y,1/4;-mz,-my,0) (z,3/4,y;mz,0,my) (y,z,3/4;my,mz,0) (-y+1/2,z,3/4;-my,mz,0) (-z+1/2,3/4,y;-mz,0,my) (-y+1/2,-z+1/2,3/4;-my,-mz,0) (z,3/4,-y+1/2;mz,0,-my) (y,-z+1/2,3/4;my,-mz,0) (-z+1/2,3/4,-y+1/2;-mz,0,-my) (1/4,-y,-z;0,my,mz) (3/4,z,-y+1/2;0,-mz,my) (3/4,-z+1/2,y;0,mz,-my) (-z+1/2,-y+1/2,3/4;mz,my,0) (z,-y+1/2,3/4;-mz,my,0) (y,3/4,-z+1/2;-my,0,mz) (-y+1/2,3/4,-z+1/2;my,0,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) (-y+1/2,3/4,z;my,0,-mz) (y,3/4,z;-my,0,-mz) (3/4,-z+1/2,-y+1/2;0,mz,my) (3/4,z,y;0,-mz,-my) (-z+1/2,y,3/4;mz,-my,0) (z,y,3/4;-mz,-my,0) (-z,1/4,-y;mz,0,my) (-y,-z,1/4;my,mz,0) (y+1/2,-z,1/4;-my,mz,0) (z+1/2,1/4,-y;-mz,0,my) (y+1/2,z+1/2,1/4;-my,-mz,0) (-z,1/4,y+1/2;mz,0,-my) (-y,z+1/2,1/4;my,-mz,0) (z+1/2,1/4,y+1/2;-mz,0,-my) 48i (0,y,-y;0,my,-my) (1/2,y,y+1/2;0,my,my) (1/2,-y+1/2,-y;0,-my,-my) (-y+1/2,y+1/2,0;-my,my,0) (y,y+1/2,1/2;my,my,0) (-y,1/2,-y+1/2;-my,0,-my) (y+1/2,0,-y+1/2;my,0,-my) (0,-y+1/2,y+1/2;0,-my,my) (y+1/2,1/2,y;my,0,my) (-y,0,y;-my,0,my) (-y+1/2,-y,1/2;-my,-my,0) (y,-y,0;my,-my,0) (0,-y,y;0,my,-my) (1/2,-y,-y+1/2;0,my,my) (1/2,y+1/2,y;0,-my,-my) (y+1/2,-y+1/2,0;-my,my,0) (-y,-y+1/2,1/2;my,my,0) (y,1/2,y+1/2;-my,0,-my) (-y+1/2,0,y+1/2;my,0,-my) (0,y+1/2,-y+1/2;0,-my,my) (-y+1/2,1/2,-y;my,0,my) (y,0,-y;-my,0,my) (y+1/2,y,1/2;-my,-my,0) (-y,y,0;my,-my,0) (1/2,y+1/2,-y+1/2;0,-my,my) (0,y+1/2,y;0,-my,-my) (0,-y,-y+1/2;0,my,my) (-y,y,1/2;my,-my,0) (y+1/2,y,0;-my,-my,0) (-y+1/2,0,-y;my,0,my) (y,1/2,-y;-my,0,my) (1/2,-y,y;0,my,-my) (y,0,y+1/2;-my,0,-my) (-y+1/2,1/2,y+1/2;my,0,-my) (-y,-y+1/2,0;my,my,0) (y+1/2,-y+1/2,1/2;-my,my,0) (1/2,-y+1/2,y+1/2;0,-my,my) (0,-y+1/2,-y;0,-my,-my) (0,y,y+1/2;0,my,my) (y,-y,1/2;my,-my,0) (-y+1/2,-y,0;-my,-my,0) (y+1/2,0,y;my,0,my) (-y,1/2,y;-my,0,my) (1/2,y,-y;0,my,-my) (-y,0,-y+1/2;-my,0,-my) (y+1/2,1/2,-y+1/2;my,0,-my) (y,y+1/2,0;my,my,0) (-y+1/2,y+1/2,1/2;-my,my,0) 24h (3/4,y,y;0,my,-my) (1/4,-y,y+1/2;0,my,my) (1/4,y+1/2,-y;0,-my,-my) (y+1/2,y+1/2,1/4;-my,my,0) (-y,y+1/2,1/4;my,my,0) (-y,1/4,y+1/2;-my,0,-my) (y+1/2,1/4,y+1/2;my,0,-my) (3/4,-y+1/2,-y+1/2;0,-my,my) (3/4,y,-y+1/2;0,my,my) (3/4,-y+1/2,y;0,-my,-my) (y+1/2,1/4,-y;my,0,my) (-y,1/4,-y;-my,0,my) (1/4,y+1/2,y+1/2;0,-my,my) (1/4,-y,-y;0,my,-my) (y+1/2,-y,1/4;-my,-my,0) (-y,-y,1/4;my,-my,0) (y,3/4,y;-my,0,my) (y,y,3/4;my,-my,0) (-y+1/2,y,3/4;-my,-my,0) (-y+1/2,3/4,y;my,0,my) (-y+1/2,-y+1/2,3/4;-my,my,0) (y,3/4,-y+1/2;-my,0,-my) (y,-y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y+1/2;my,0,-my) 24g (x,3/4,1/4;mx,0,0) (x+1/2,3/4,1/4;mx,0,0) (3/4,1/4,-x;0,0,-mx) (3/4,1/4,x+1/2;0,0,mx) (1/4,x+1/2,3/4;0,mx,0) (1/4,-x,3/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x,3/4,1/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (-x+1/2,1/4,3/4;mx,0,0) (1/4,3/4,x;0,0,-mx) (1/4,3/4,-x+1/2;0,0,mx) (3/4,-x+1/2,1/4;0,mx,0) (3/4,x,1/4;0,-mx,0) (x+1/2,1/4,3/4;-mx,0,0) (x,1/4,3/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 16f (x,x,x;0,0,0) (x+1/2,-x,x+1/2;0,0,0) (x+1/2,x+1/2,-x;0,0,0) (-x,x+1/2,x+1/2;0,0,0) (x,-x+1/2,-x+1/2;0,0,0) (-x+1/2,x,-x+1/2;0,0,0) (-x+1/2,-x+1/2,x;0,0,0) (-x,-x,-x;0,0,0) (x+1/2,x+1/2,x+1/2;0,0,0) (x,-x+1/2,x;0,0,0) (x,x,-x+1/2;0,0,0) (-x+1/2,x,x;0,0,0) (x+1/2,-x,-x;0,0,0) (-x,x+1/2,-x;0,0,0) (-x,-x,x+1/2;0,0,0) (-x+1/2,-x+1/2,-x+1/2;0,0,0) 12e (x,3/4,3/4;0,0,0) (x+1/2,1/4,1/4;0,0,0) (1/4,1/4,-x;0,0,0) (1/4,1/4,x+1/2;0,0,0) (1/4,x+1/2,1/4;0,0,0) (1/4,-x,1/4;0,0,0) (-x+1/2,3/4,3/4;0,0,0) (-x,1/4,1/4;0,0,0) (3/4,x,3/4;0,0,0) (3/4,3/4,x;0,0,0) (3/4,3/4,-x+1/2;0,0,0) (3/4,-x+1/2,3/4;0,0,0) 12d (0,3/4,1/4;0,0,0) (1/2,3/4,1/4;0,0,0) (3/4,1/4,0;0,0,0) (3/4,1/4,1/2;0,0,0) (1/4,1/2,3/4;0,0,0) (1/4,0,3/4;0,0,0) (0,1/4,3/4;0,0,0) (1/2,1/4,3/4;0,0,0) (1/4,3/4,0;0,0,0) (1/4,3/4,1/2;0,0,0) (3/4,1/2,1/4;0,0,0) (3/4,0,1/4;0,0,0) 8c (0,0,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) (0,1/2,1/2;0,0,0) (1/2,1/2,1/2;0,0,0) (0,1/2,0;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) 6b (3/4,1/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) 2a (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 229.8.1645 I_Pm-3m' UNI: 223.109 Pm-3n.1'_I[Im-3m] BNS: 223.109 P_Im-3n OG-BNS transformation: (0,0,0;a,b,c) Operators (OG): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 96l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 48k (x,x,z;mx,mx,mz) (x+1/2,-z+1/2,x+1/2;mx,-mz,mx) (x+1/2,z+1/2,-x+1/2;mx,mz,-mx) (z+1/2,x+1/2,-x+1/2;mz,mx,-mx) (-z+1/2,x+1/2,x+1/2;-mz,mx,mx) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x+1/2,z+1/2,x+1/2;-mx,mz,mx) (-x+1/2,-z+1/2,-x+1/2;-mx,-mz,-mx) (z+1/2,-x+1/2,x+1/2;mz,-mx,mx) (-z+1/2,-x+1/2,-x+1/2;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x,-z,x;-mx,mz,-mx) (z,x,-x;-mz,-mx,mx) (x,z,-x;-mx,-mz,mx) (-z,x,x;mz,-mx,-mx) (-x,z,x;mx,-mz,-mx) (z,-x,x;-mz,mx,-mx) 48j (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;mx,0,0) (1/2,z+1/2,-y+1/2;mx,0,0) (z+1/2,y+1/2,1/2;0,0,-mx) (-z+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,z+1/2,y+1/2;-mx,0,0) (1/2,-z+1/2,-y+1/2;-mx,0,0) (z+1/2,-y+1/2,1/2;0,0,mx) (-z+1/2,-y+1/2,1/2;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 48i (1/4,y,-y+1/2;0,my,-my) (-1/4,y,y-1/2;0,my,my) (-1/4,-y,-y+1/2;0,-my,-my) (-y,y-1/2,1/4;-my,my,0) (y,y-1/2,-1/4;my,my,0) (-y+1/2,-1/4,-y;-my,0,-my) (y-1/2,1/4,-y;my,0,-my) (1/4,-y,y-1/2;0,-my,my) (y-1/2,-1/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,-1/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (-1/4,-y,y-1/2;0,my,-my) (1/4,-y,-y+1/2;0,my,my) (1/4,y,y-1/2;0,-my,-my) (y,-y+1/2,-1/4;-my,my,0) (-y,-y+1/2,1/4;my,my,0) (y-1/2,1/4,y;-my,0,-my) (-y+1/2,-1/4,y;my,0,-my) (-1/4,y,-y+1/2;0,-my,my) (-y+1/2,1/4,-y;my,0,my) (y-1/2,-1/4,-y;-my,0,my) (y,y-1/2,1/4;-my,-my,0) (-y,y-1/2,-1/4;my,-my,0) (3/4,y+1/2,-y+1;0,-my,my) (1/4,y+1/2,y;0,-my,-my) (1/4,-y+1/2,-y+1;0,my,my) (-y+1/2,y,3/4;my,-my,0) (y+1/2,y,1/4;-my,-my,0) (-y+1,1/4,-y+1/2;my,0,my) (y,3/4,-y+1/2;-my,0,my) (3/4,-y+1/2,y;0,my,-my) (y,1/4,y+1/2;-my,0,-my) (-y+1,3/4,y+1/2;my,0,-my) (-y+1/2,-y+1,1/4;my,my,0) (y+1/2,-y+1,3/4;-my,my,0) (1/4,-y+1/2,y;0,-my,my) (3/4,-y+1/2,-y+1;0,-my,-my) (3/4,y+1/2,y;0,my,my) (y+1/2,-y+1,1/4;my,-my,0) (-y+1/2,-y+1,3/4;-my,-my,0) (y,3/4,y+1/2;my,0,my) (-y+1,1/4,y+1/2;-my,0,my) (1/4,y+1/2,-y+1;0,my,-my) (-y+1,3/4,-y+1/2;-my,0,-my) (y,1/4,-y+1/2;my,0,-my) (y+1/2,y,3/4;my,my,0) (-y+1/2,y,1/4;-my,my,0) 24h (0,y,y;mx,0,0) (1/2,-y+1/2,y+1/2;mx,0,0) (1/2,y+1/2,-y+1/2;mx,0,0) (y+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,y+1/2;0,mx,0) (y+1/2,1/2,y+1/2;0,-mx,0) (0,-y,-y;mx,0,0) (0,y,-y;-mx,0,0) (0,-y,y;-mx,0,0) (y+1/2,1/2,-y+1/2;0,mx,0) (-y+1/2,1/2,-y+1/2;0,-mx,0) (1/2,y+1/2,y+1/2;-mx,0,0) (1/2,-y+1/2,-y+1/2;-mx,0,0) (y+1/2,-y+1/2,1/2;0,0,mx) (-y+1/2,-y+1/2,1/2;0,0,-mx) (y,0,y;0,mx,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (-y,-y,0;0,0,mx) (y,0,-y;0,-mx,0) (y,-y,0;0,0,-mx) (-y,0,-y;0,mx,0) 24g (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,1;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,-1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,-1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,1;0,0,0) (x,-1/2,0;0,0,0) (-1/2,0,-x;0,0,0) (-1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,-1/2;0,0,0) (-x+1/2,1/2,0;0,0,0) (-x,-1/2,0;0,0,0) (1,x+1/2,1/2;0,0,0) (1/2,1,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (1,-x+1/2,1/2;0,0,0) 16f (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (-1/4,0,-1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,-1/2,-1/4;0,0,0) (1/2,-1/4,0;0,0,0) (1/2,1/4,0;0,0,0) (3/4,1/2,1;0,0,0) (1/4,1/2,0;0,0,0) (1/2,1,3/4;0,0,0) (1/2,0,1/4;0,0,0) (1,1/4,1/2;0,0,0) (1,3/4,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (-1/4,1/4,-1/4;0,0,0) (-1/4,-1/4,1/4;0,0,0) (1/4,-1/4,-1/4;0,0,0) (-1/4,-1/4,-1/4;0,0,0) (1/4,-1/4,1/4;0,0,0) (1/4,1/4,-1/4;0,0,0) (-1/4,1/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|1/2,1/2,1/2) (4x-1|1/2,1/2,1/2) (4y|1/2,1/2,1/2) (4y-1|1/2,1/2,1/2) (4z|1/2,1/2,1/2) (4z-1|1/2,1/2,1/2) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|1/2,1/2,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,1/2,1/2) (2-yz|1/2,1/2,1/2) (2xz|1/2,1/2,1/2) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|0,0,0) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|0,0,0) (my|0,0,0) (mz|0,0,0) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|0,0,0) (-3-xyz-1|0,0,0) (-3x-yz|0,0,0) (-3x-yz-1|0,0,0) (-3xy-z|0,0,0) (-3xy-z-1|0,0,0) (1|1/2,1/2,1/2)' (4x|0,0,0)' (4x-1|0,0,0)' (4y|0,0,0)' (4y-1|0,0,0)' (4z|0,0,0)' (4z-1|0,0,0)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|0,0,0)' (2-xy|0,0,0)' (2yz|0,0,0)' (2-yz|0,0,0)' (2xz|0,0,0)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|1/2,1/2,1/2)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|1/2,1/2,1/2)' (my|1/2,1/2,1/2)' (mz|1/2,1/2,1/2)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|1/2,1/2,1/2)' (-3-xyz-1|1/2,1/2,1/2)' (-3x-yz|1/2,1/2,1/2)' (-3x-yz-1|1/2,1/2,1/2)' (-3xy-z|1/2,1/2,1/2)' (-3xy-z-1|1/2,1/2,1/2)' Wyckoff positions (BNS): 96l (x,y,z;mx,my,mz) (x+1/2,-z+1/2,y+1/2;mx,-mz,my) (x+1/2,z+1/2,-y+1/2;mx,mz,-my) (z+1/2,y+1/2,-x+1/2;mz,my,-mx) (-z+1/2,y+1/2,x+1/2;-mz,my,mx) (-y+1/2,x+1/2,z+1/2;-my,mx,mz) (y+1/2,-x+1/2,z+1/2;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y+1/2,x+1/2,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z+1/2,y+1/2;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z+1/2,-y+1/2,x+1/2;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x,y,z;mx,-my,-mz) (x,-y,z;-mx,my,-mz) (x,y,-z;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y,-z,x;-my,mz,-mx) (z,x,-y;-mz,-mx,my) (y,z,-x;-my,-mz,mx) (-z,x,y;mz,-mx,-my) (-y,z,x;my,-mz,-mx) (z,-x,y;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x,-z,y;-mx,mz,-my) (x,z,-y;-mx,-mz,my) (z,y,-x;-mz,-my,mx) (-z,y,x;mz,-my,-mx) (-y,x,z;my,-mx,-mz) (y,-x,z;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y,x,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z,y;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z,-y,x;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x+1/2,y+1/2,z+1/2;-mx,my,mz) (x+1/2,-y+1/2,z+1/2;mx,-my,mz) (x+1/2,y+1/2,-z+1/2;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y+1/2,-z+1/2,x+1/2;my,-mz,mx) (z+1/2,x+1/2,-y+1/2;mz,mx,-my) (y+1/2,z+1/2,-x+1/2;my,mz,-mx) (-z+1/2,x+1/2,y+1/2;-mz,mx,my) (-y+1/2,z+1/2,x+1/2;-my,mz,mx) (z+1/2,-x+1/2,y+1/2;mz,-mx,my) 48k (x,x,z;mx,mx,mz) (x+1/2,-z+1/2,x+1/2;mx,-mz,mx) (x+1/2,z+1/2,-x+1/2;mx,mz,-mx) (z+1/2,x+1/2,-x+1/2;mz,mx,-mx) (-z+1/2,x+1/2,x+1/2;-mz,mx,mx) (-x+1/2,x+1/2,z+1/2;-mx,mx,mz) (x+1/2,-x+1/2,z+1/2;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x+1/2,x+1/2,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x+1/2,z+1/2,x+1/2;-mx,mz,mx) (-x+1/2,-z+1/2,-x+1/2;-mx,-mz,-mx) (z+1/2,-x+1/2,x+1/2;mz,-mx,mx) (-z+1/2,-x+1/2,-x+1/2;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x,x,z;mx,-mx,-mz) (x,-x,z;-mx,mx,-mz) (x,x,-z;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x,-z,x;-mx,mz,-mx) (z,x,-x;-mz,-mx,mx) (x,z,-x;-mx,-mz,mx) (-z,x,x;mz,-mx,-mx) (-x,z,x;mx,-mz,-mx) (z,-x,x;-mz,mx,-mx) 48j (0,y,z;mx,0,0) (1/2,-z+1/2,y+1/2;mx,0,0) (1/2,z+1/2,-y+1/2;mx,0,0) (z+1/2,y+1/2,1/2;0,0,-mx) (-z+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,z+1/2;0,mx,0) (y+1/2,1/2,z+1/2;0,-mx,0) (0,-y,-z;mx,0,0) (0,y,-z;-mx,0,0) (0,-y,z;-mx,0,0) (y+1/2,1/2,-z+1/2;0,mx,0) (-y+1/2,1/2,-z+1/2;0,-mx,0) (1/2,z+1/2,y+1/2;-mx,0,0) (1/2,-z+1/2,-y+1/2;-mx,0,0) (z+1/2,-y+1/2,1/2;0,0,mx) (-z+1/2,-y+1/2,1/2;0,0,-mx) (z,0,y;0,mx,0) (y,z,0;0,0,mx) (-y,z,0;0,0,-mx) (-z,0,y;0,-mx,0) (-y,-z,0;0,0,mx) (z,0,-y;0,-mx,0) (y,-z,0;0,0,-mx) (-z,0,-y;0,mx,0) (1/2,y+1/2,z+1/2;-mx,0,0) (0,-z,y;-mx,0,0) (0,z,-y;-mx,0,0) (z,y,0;0,0,mx) (-z,y,0;0,0,-mx) (-y,0,z;0,-mx,0) (y,0,z;0,mx,0) (1/2,-y+1/2,-z+1/2;-mx,0,0) (1/2,y+1/2,-z+1/2;mx,0,0) (1/2,-y+1/2,z+1/2;mx,0,0) (y,0,-z;0,-mx,0) (-y,0,-z;0,mx,0) (0,z,y;mx,0,0) (0,-z,-y;mx,0,0) (z,-y,0;0,0,-mx) (-z,-y,0;0,0,mx) (z+1/2,1/2,y+1/2;0,-mx,0) (y+1/2,z+1/2,1/2;0,0,-mx) (-y+1/2,z+1/2,1/2;0,0,mx) (-z+1/2,1/2,y+1/2;0,mx,0) (-y+1/2,-z+1/2,1/2;0,0,-mx) (z+1/2,1/2,-y+1/2;0,mx,0) (y+1/2,-z+1/2,1/2;0,0,mx) (-z+1/2,1/2,-y+1/2;0,-mx,0) 48i (1/4,y,-y+1/2;0,my,-my) (3/4,y,y+1/2;0,my,my) (3/4,-y,-y+1/2;0,-my,-my) (-y,y+1/2,1/4;-my,my,0) (y,y+1/2,3/4;my,my,0) (-y+1/2,3/4,-y;-my,0,-my) (y+1/2,1/4,-y;my,0,-my) (1/4,-y,y+1/2;0,-my,my) (y+1/2,3/4,y;my,0,my) (-y+1/2,1/4,y;-my,0,my) (-y,-y+1/2,3/4;-my,-my,0) (y,-y+1/2,1/4;my,-my,0) (3/4,-y,y+1/2;0,my,-my) (1/4,-y,-y+1/2;0,my,my) (1/4,y,y+1/2;0,-my,-my) (y,-y+1/2,3/4;-my,my,0) (-y,-y+1/2,1/4;my,my,0) (y+1/2,1/4,y;-my,0,-my) (-y+1/2,3/4,y;my,0,-my) (3/4,y,-y+1/2;0,-my,my) (-y+1/2,1/4,-y;my,0,my) (y+1/2,3/4,-y;-my,0,my) (y,y+1/2,1/4;-my,-my,0) (-y,y+1/2,3/4;my,-my,0) (3/4,y+1/2,-y;0,-my,my) (1/4,y+1/2,y;0,-my,-my) (1/4,-y+1/2,-y;0,my,my) (-y+1/2,y,3/4;my,-my,0) (y+1/2,y,1/4;-my,-my,0) (-y,1/4,-y+1/2;my,0,my) (y,3/4,-y+1/2;-my,0,my) (3/4,-y+1/2,y;0,my,-my) (y,1/4,y+1/2;-my,0,-my) (-y,3/4,y+1/2;my,0,-my) (-y+1/2,-y,1/4;my,my,0) (y+1/2,-y,3/4;-my,my,0) (1/4,-y+1/2,y;0,-my,my) (3/4,-y+1/2,-y;0,-my,-my) (3/4,y+1/2,y;0,my,my) (y+1/2,-y,1/4;my,-my,0) (-y+1/2,-y,3/4;-my,-my,0) (y,3/4,y+1/2;my,0,my) (-y,1/4,y+1/2;-my,0,my) (1/4,y+1/2,-y;0,my,-my) (-y,3/4,-y+1/2;-my,0,-my) (y,1/4,-y+1/2;my,0,-my) (y+1/2,y,3/4;my,my,0) (-y+1/2,y,1/4;-my,my,0) 24h (0,y,y;mx,0,0) (1/2,-y+1/2,y+1/2;mx,0,0) (1/2,y+1/2,-y+1/2;mx,0,0) (y+1/2,y+1/2,1/2;0,0,-mx) (-y+1/2,y+1/2,1/2;0,0,mx) (-y+1/2,1/2,y+1/2;0,mx,0) (y+1/2,1/2,y+1/2;0,-mx,0) (0,-y,-y;mx,0,0) (0,y,-y;-mx,0,0) (0,-y,y;-mx,0,0) (y+1/2,1/2,-y+1/2;0,mx,0) (-y+1/2,1/2,-y+1/2;0,-mx,0) (1/2,y+1/2,y+1/2;-mx,0,0) (1/2,-y+1/2,-y+1/2;-mx,0,0) (y+1/2,-y+1/2,1/2;0,0,mx) (-y+1/2,-y+1/2,1/2;0,0,-mx) (y,0,y;0,mx,0) (y,y,0;0,0,mx) (-y,y,0;0,0,-mx) (-y,0,y;0,-mx,0) (-y,-y,0;0,0,mx) (y,0,-y;0,-mx,0) (y,-y,0;0,0,-mx) (-y,0,-y;0,mx,0) 24g (x,0,1/2;0,0,0) (x+1/2,0,1/2;0,0,0) (0,1/2,-x+1/2;0,0,0) (0,1/2,x+1/2;0,0,0) (1/2,x+1/2,0;0,0,0) (1/2,-x+1/2,0;0,0,0) (-x,0,1/2;0,0,0) (-x+1/2,0,1/2;0,0,0) (1/2,x,0;0,0,0) (0,1/2,x;0,0,0) (0,1/2,-x;0,0,0) (1/2,-x,0;0,0,0) (x+1/2,1/2,0;0,0,0) (x,1/2,0;0,0,0) (1/2,0,-x;0,0,0) (1/2,0,x;0,0,0) (0,x,1/2;0,0,0) (0,-x,1/2;0,0,0) (-x+1/2,1/2,0;0,0,0) (-x,1/2,0;0,0,0) (0,x+1/2,1/2;0,0,0) (1/2,0,x+1/2;0,0,0) (1/2,0,-x+1/2;0,0,0) (0,-x+1/2,1/2;0,0,0) 16f (x,x,x;mx,mx,mx) (x+1/2,-x+1/2,x+1/2;mx,-mx,mx) (x+1/2,x+1/2,-x+1/2;mx,mx,-mx) (-x+1/2,x+1/2,x+1/2;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x,x,x;mx,-mx,-mx) (x,-x,x;-mx,mx,-mx) (x,x,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,0,0;0,0,0) (x+1/2,1/2,1/2;0,0,0) (1/2,1/2,-x+1/2;0,0,0) (1/2,1/2,x+1/2;0,0,0) (1/2,x+1/2,1/2;0,0,0) (1/2,-x+1/2,1/2;0,0,0) (-x,0,0;0,0,0) (-x+1/2,1/2,1/2;0,0,0) (0,x,0;0,0,0) (0,0,x;0,0,0) (0,0,-x;0,0,0) (0,-x,0;0,0,0) 12d (1/4,0,1/2;0,0,0) (3/4,0,1/2;0,0,0) (0,1/2,1/4;0,0,0) (0,1/2,3/4;0,0,0) (1/2,3/4,0;0,0,0) (1/2,1/4,0;0,0,0) (3/4,1/2,0;0,0,0) (1/4,1/2,0;0,0,0) (1/2,0,3/4;0,0,0) (1/2,0,1/4;0,0,0) (0,1/4,1/2;0,0,0) (0,3/4,1/2;0,0,0) 8c (1/4,1/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) 6b (0,1/2,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) ---------- OG: 229.9.1646 I_Pm'-3'm' UNI: 222.103 Pn-3n.1'_I[Im-3m] BNS: 222.103 P_In-3n OG-BNS transformation: (-3/4,-3/4,-3/4;a,b,c) Operators (OG): (1|0,0,0) (4x|0,0,0) (4x-1|0,0,0) (4y|0,0,0) (4y-1|0,0,0) (4z|0,0,0) (4z-1|0,0,0) (2x|0,0,0) (2y|0,0,0) (2z|0,0,0) (2xy|0,0,0) (2-xy|0,0,0) (2yz|0,0,0) (2-yz|0,0,0) (2xz|0,0,0) (2-xz|0,0,0) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|0,0,0) (3-xyz-1|0,0,0) (3x-yz|0,0,0) (3x-yz-1|0,0,0) (3xy-z|0,0,0) (3xy-z-1|0,0,0) (-1|1/2,1/2,1/2) (-4x|1/2,1/2,1/2) (-4x-1|1/2,1/2,1/2) (-4y|1/2,1/2,1/2) (-4y-1|1/2,1/2,1/2) (-4z|1/2,1/2,1/2) (-4z-1|1/2,1/2,1/2) (mx|1/2,1/2,1/2) (my|1/2,1/2,1/2) (mz|1/2,1/2,1/2) (mxy|1/2,1/2,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,1/2,1/2) (m-yz|1/2,1/2,1/2) (mxz|1/2,1/2,1/2) (m-xz|1/2,1/2,1/2) (-3xyz|1/2,1/2,1/2) (-3xyz-1|1/2,1/2,1/2) (-3-xyz|1/2,1/2,1/2) (-3-xyz-1|1/2,1/2,1/2) (-3x-yz|1/2,1/2,1/2) (-3x-yz-1|1/2,1/2,1/2) (-3xy-z|1/2,1/2,1/2) (-3xy-z-1|1/2,1/2,1/2) (1|1/2,1/2,1/2)' (4x|1/2,1/2,1/2)' (4x-1|1/2,1/2,1/2)' (4y|1/2,1/2,1/2)' (4y-1|1/2,1/2,1/2)' (4z|1/2,1/2,1/2)' (4z-1|1/2,1/2,1/2)' (2x|1/2,1/2,1/2)' (2y|1/2,1/2,1/2)' (2z|1/2,1/2,1/2)' (2xy|1/2,1/2,1/2)' (2-xy|1/2,1/2,1/2)' (2yz|1/2,1/2,1/2)' (2-yz|1/2,1/2,1/2)' (2xz|1/2,1/2,1/2)' (2-xz|1/2,1/2,1/2)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|1/2,1/2,1/2)' (3-xyz-1|1/2,1/2,1/2)' (3x-yz|1/2,1/2,1/2)' (3x-yz-1|1/2,1/2,1/2)' (3xy-z|1/2,1/2,1/2)' (3xy-z-1|1/2,1/2,1/2)' (-1|0,0,0)' (-4x|0,0,0)' (-4x-1|0,0,0)' (-4y|0,0,0)' (-4y-1|0,0,0)' (-4z|0,0,0)' (-4z-1|0,0,0)' (mx|0,0,0)' (my|0,0,0)' (mz|0,0,0)' (mxy|0,0,0)' (m-xy|0,0,0)' (myz|0,0,0)' (m-yz|0,0,0)' (mxz|0,0,0)' (m-xz|0,0,0)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|0,0,0)' (-3-xyz-1|0,0,0)' (-3x-yz|0,0,0)' (-3x-yz-1|0,0,0)' (-3xy-z|0,0,0)' (-3xy-z-1|0,0,0)' Wyckoff positions (OG): (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ 96l (x,y,z;mx,my,mz) (x,-z,y;mx,-mz,my) (x,z,-y;mx,mz,-my) (z,y,-x;mz,my,-mx) (-z,y,x;-mz,my,mx) (-y,x,z;-my,mx,mz) (y,-x,z;my,-mx,mz) (x,-y,-z;mx,-my,-mz) (-x,y,-z;-mx,my,-mz) (-x,-y,z;-mx,-my,mz) (y,x,-z;my,mx,-mz) (-y,-x,-z;-my,-mx,-mz) (-x,z,y;-mx,mz,my) (-x,-z,-y;-mx,-mz,-my) (z,-y,x;mz,-my,mx) (-z,-y,-x;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y,z,-x;-my,mz,-mx) (-z,-x,y;-mz,-mx,my) (-y,-z,x;-my,-mz,mx) (z,-x,-y;mz,-mx,-my) (y,-z,-x;my,-mz,-mx) (-z,x,-y;-mz,mx,-my) (-x+1/2,-y+1/2,-z+1/2;mx,my,mz) (-x+1/2,z+1/2,-y+1/2;mx,-mz,my) (-x+1/2,-z+1/2,y+1/2;mx,mz,-my) (-z+1/2,-y+1/2,x+1/2;mz,my,-mx) (z+1/2,-y+1/2,-x+1/2;-mz,my,mx) (y+1/2,-x+1/2,-z+1/2;-my,mx,mz) (-y+1/2,x+1/2,-z+1/2;my,-mx,mz) (-x+1/2,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y+1/2,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z+1/2;-mx,-my,mz) (-y+1/2,-x+1/2,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z+1/2,-y+1/2;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z+1/2,y+1/2,-x+1/2;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z+1/2,-x+1/2,-y+1/2;mz,mx,my) (-y+1/2,-z+1/2,-x+1/2;my,mz,mx) (y+1/2,-z+1/2,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y+1/2;-mz,-mx,my) (y+1/2,z+1/2,-x+1/2;-my,-mz,mx) (-z+1/2,x+1/2,y+1/2;mz,-mx,-my) (-y+1/2,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x+1/2,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z+1/2,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y+1/2;-mx,-mz,my) (z+1/2,y+1/2,-x+1/2;-mz,-my,mx) (-z+1/2,y+1/2,x+1/2;mz,-my,-mx) (-y+1/2,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x+1/2,z+1/2;-my,mx,-mz) (x+1/2,-y+1/2,-z+1/2;-mx,my,mz) (-x+1/2,y+1/2,-z+1/2;mx,-my,mz) (-x+1/2,-y+1/2,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z+1/2;-my,-mx,mz) (-y+1/2,-x+1/2,-z+1/2;my,mx,mz) (-x+1/2,z+1/2,y+1/2;mx,-mz,-my) (-x+1/2,-z+1/2,-y+1/2;mx,mz,my) (z+1/2,-y+1/2,x+1/2;-mz,my,-mx) (-z+1/2,-y+1/2,-x+1/2;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y+1/2,z+1/2,-x+1/2;my,-mz,mx) (-z+1/2,-x+1/2,y+1/2;mz,mx,-my) (-y+1/2,-z+1/2,x+1/2;my,mz,-mx) (z+1/2,-x+1/2,-y+1/2;-mz,mx,my) (y+1/2,-z+1/2,-x+1/2;-my,mz,mx) (-z+1/2,x+1/2,-y+1/2;mz,-mx,my) (-x,-y,-z;-mx,-my,-mz) (-x,z,-y;-mx,mz,-my) (-x,-z,y;-mx,-mz,my) (-z,-y,x;-mz,-my,mx) (z,-y,-x;mz,-my,-mx) (y,-x,-z;my,-mx,-mz) (-y,x,-z;-my,mx,-mz) (-x,y,z;-mx,my,mz) (x,-y,z;mx,-my,mz) (x,y,-z;mx,my,-mz) (-y,-x,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z,-y;mx,-mz,-my) (x,z,y;mx,mz,my) (-z,y,-x;-mz,my,-mx) (z,y,x;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y,-z,x;my,-mz,mx) (z,x,-y;mz,mx,-my) (y,z,-x;my,mz,-mx) (-z,x,y;-mz,mx,my) (-y,z,x;-my,mz,mx) (z,-x,y;mz,-mx,my) 48k (x,x,z;mx,mx,mz) (x,-z,x;mx,-mz,mx) (x,z,-x;mx,mz,-mx) (z,x,-x;mz,mx,-mx) (-z,x,x;-mz,mx,mx) (-x,x,z;-mx,mx,mz) (x,-x,z;mx,-mx,mz) (x,-x,-z;mx,-mx,-mz) (-x,x,-z;-mx,mx,-mz) (-x,-x,z;-mx,-mx,mz) (x,x,-z;mx,mx,-mz) (-x,-x,-z;-mx,-mx,-mz) (-x,z,x;-mx,mz,mx) (-x,-z,-x;-mx,-mz,-mx) (z,-x,x;mz,-mx,mx) (-z,-x,-x;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x,z,-x;-mx,mz,-mx) (-z,-x,x;-mz,-mx,mx) (-x,-z,x;-mx,-mz,mx) (z,-x,-x;mz,-mx,-mx) (x,-z,-x;mx,-mz,-mx) (-z,x,-x;-mz,mx,-mx) (-x+1/2,-x+1/2,-z+1/2;mx,mx,mz) (-x+1/2,z+1/2,-x+1/2;mx,-mz,mx) (-x+1/2,-z+1/2,x+1/2;mx,mz,-mx) (-z+1/2,-x+1/2,x+1/2;mz,mx,-mx) (z+1/2,-x+1/2,-x+1/2;-mz,mx,mx) (x+1/2,-x+1/2,-z+1/2;-mx,mx,mz) (-x+1/2,x+1/2,-z+1/2;mx,-mx,mz) (-x+1/2,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x+1/2,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z+1/2;-mx,-mx,mz) (-x+1/2,-x+1/2,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z+1/2,-x+1/2;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z+1/2,x+1/2,-x+1/2;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z+1/2,-x+1/2,-x+1/2;mz,mx,mx) (-x+1/2,-z+1/2,-x+1/2;mx,mz,mx) (x+1/2,-z+1/2,x+1/2;-mx,mz,-mx) (z+1/2,x+1/2,-x+1/2;-mz,-mx,mx) (x+1/2,z+1/2,-x+1/2;-mx,-mz,mx) (-z+1/2,x+1/2,x+1/2;mz,-mx,-mx) (-x+1/2,z+1/2,x+1/2;mx,-mz,-mx) (z+1/2,-x+1/2,x+1/2;-mz,mx,-mx) 48j (0,y,z;0,my,mz) (0,-z,y;0,-mz,my) (0,z,-y;0,mz,-my) (z,y,0;mz,my,0) (-z,y,0;-mz,my,0) (-y,0,z;-my,0,mz) (y,0,z;my,0,mz) (0,-y,-z;0,-my,-mz) (0,y,-z;0,my,-mz) (0,-y,z;0,-my,mz) (y,0,-z;my,0,-mz) (-y,0,-z;-my,0,-mz) (0,z,y;0,mz,my) (0,-z,-y;0,-mz,-my) (z,-y,0;mz,-my,0) (-z,-y,0;-mz,-my,0) (z,0,y;mz,0,my) (y,z,0;my,mz,0) (-y,z,0;-my,mz,0) (-z,0,y;-mz,0,my) (-y,-z,0;-my,-mz,0) (z,0,-y;mz,0,-my) (y,-z,0;my,-mz,0) (-z,0,-y;-mz,0,-my) (1/2,-y+1/2,-z+1/2;0,my,mz) (1/2,z+1/2,-y+1/2;0,-mz,my) (1/2,-z+1/2,y+1/2;0,mz,-my) (-z+1/2,-y+1/2,1/2;mz,my,0) (z+1/2,-y+1/2,1/2;-mz,my,0) (y+1/2,1/2,-z+1/2;-my,0,mz) (-y+1/2,1/2,-z+1/2;my,0,mz) (1/2,y+1/2,z+1/2;0,-my,-mz) (1/2,-y+1/2,z+1/2;0,my,-mz) (1/2,y+1/2,-z+1/2;0,-my,mz) (-y+1/2,1/2,z+1/2;my,0,-mz) (y+1/2,1/2,z+1/2;-my,0,-mz) (1/2,-z+1/2,-y+1/2;0,mz,my) (1/2,z+1/2,y+1/2;0,-mz,-my) (-z+1/2,y+1/2,1/2;mz,-my,0) (z+1/2,y+1/2,1/2;-mz,-my,0) (-z+1/2,1/2,-y+1/2;mz,0,my) (-y+1/2,-z+1/2,1/2;my,mz,0) (y+1/2,-z+1/2,1/2;-my,mz,0) (z+1/2,1/2,-y+1/2;-mz,0,my) (y+1/2,z+1/2,1/2;-my,-mz,0) (-z+1/2,1/2,y+1/2;mz,0,-my) (-y+1/2,z+1/2,1/2;my,-mz,0) (z+1/2,1/2,y+1/2;-mz,0,-my) 48i (1/4,y,-y+1/2;mx,my,my) (1/4,y-1/2,y;mx,-my,my) (1/4,-y+1/2,-y;mx,my,-my) (-y+1/2,y,-1/4;my,my,-mx) (y-1/2,y,1/4;-my,my,mx) (-y,1/4,-y+1/2;-my,mx,my) (y,-1/4,-y+1/2;my,-mx,my) (1/4,-y,y-1/2;mx,-my,-my) (-1/4,y,y-1/2;-mx,my,-my) (-1/4,-y,-y+1/2;-mx,-my,my) (y,1/4,y-1/2;my,mx,-my) (-y,-1/4,y-1/2;-my,-mx,-my) (-1/4,-y+1/2,y;-mx,my,my) (-1/4,y-1/2,-y;-mx,-my,-my) (-y+1/2,-y,1/4;my,-my,mx) (y-1/2,-y,-1/4;-my,-my,-mx) (-y+1/2,1/4,y;my,mx,my) (y,-y+1/2,1/4;my,my,mx) (-y,-y+1/2,-1/4;-my,my,-mx) (y-1/2,-1/4,y;-my,-mx,my) (-y,y-1/2,1/4;-my,-my,mx) (-y+1/2,-1/4,-y;my,-mx,-my) (y,y-1/2,-1/4;my,-my,-mx) (y-1/2,1/4,-y;-my,mx,-my) (1/4,-y+1/2,y;mx,my,my) (1/4,-y+1,-y+1/2;mx,-my,my) (1/4,y,y+1/2;mx,my,-my) (y,-y+1/2,3/4;my,my,-mx) (-y+1,-y+1/2,1/4;-my,my,mx) (y+1/2,1/4,y;-my,mx,my) (-y+1/2,3/4,y;my,-mx,my) (1/4,y+1/2,-y+1;mx,-my,-my) (3/4,-y+1/2,-y+1;-mx,my,-my) (3/4,y+1/2,y;-mx,-my,my) (-y+1/2,1/4,-y+1;my,mx,-my) (y+1/2,3/4,-y+1;-my,-mx,-my) (3/4,y,-y+1/2;-mx,my,my) (3/4,-y+1,y+1/2;-mx,-my,-my) (y,y+1/2,1/4;my,-my,mx) (-y+1,y+1/2,3/4;-my,-my,-mx) (y,1/4,-y+1/2;my,mx,my) (-y+1/2,y,1/4;my,my,mx) (y+1/2,y,3/4;-my,my,-mx) (-y+1,3/4,-y+1/2;-my,-mx,my) (y+1/2,-y+1,1/4;-my,-my,mx) (y,3/4,y+1/2;my,-mx,-my) (-y+1/2,-y+1,3/4;my,-my,-mx) (-y+1,1/4,y+1/2;-my,mx,-my) 24h (0,y,y;0,my,my) (0,-y,y;0,-my,my) (0,y,-y;0,my,-my) (y,y,0;my,my,0) (-y,y,0;-my,my,0) (-y,0,y;-my,0,my) (y,0,y;my,0,my) (0,-y,-y;0,-my,-my) (y,0,-y;my,0,-my) (-y,0,-y;-my,0,-my) (y,-y,0;my,-my,0) (-y,-y,0;-my,-my,0) (1/2,-y+1/2,-y+1/2;0,my,my) (1/2,y+1/2,-y+1/2;0,-my,my) (1/2,-y+1/2,y+1/2;0,my,-my) (-y+1/2,-y+1/2,1/2;my,my,0) (y+1/2,-y+1/2,1/2;-my,my,0) (y+1/2,1/2,-y+1/2;-my,0,my) (-y+1/2,1/2,-y+1/2;my,0,my) (1/2,y+1/2,y+1/2;0,-my,-my) (-y+1/2,1/2,y+1/2;my,0,-my) (y+1/2,1/2,y+1/2;-my,0,-my) (-y+1/2,y+1/2,1/2;my,-my,0) (y+1/2,y+1/2,1/2;-my,-my,0) 24g (x,0,1/2;mx,0,0) (x,-1/2,0;mx,0,0) (-1/2,0,-x;0,0,-mx) (-1/2,0,x;0,0,mx) (0,x,1/2;0,mx,0) (0,-x,-1/2;0,-mx,0) (-x,0,-1/2;-mx,0,0) (-x,-1/2,0;-mx,0,0) (1/2,x,0;0,mx,0) (0,1/2,x;0,0,mx) (0,-1/2,-x;0,0,-mx) (1/2,-x,0;0,-mx,0) (-x+1/2,1/2,0;mx,0,0) (-x+1/2,1,1/2;mx,0,0) (1,1/2,x+1/2;0,0,-mx) (1,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,0;0,mx,0) (1/2,x+1/2,1;0,-mx,0) (x+1/2,1/2,1;-mx,0,0) (x+1/2,1,1/2;-mx,0,0) (0,-x+1/2,1/2;0,mx,0) (1/2,0,-x+1/2;0,0,mx) (1/2,1,x+1/2;0,0,-mx) (0,x+1/2,1/2;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x,x;mx,-mx,mx) (x,x,-x;mx,mx,-mx) (-x,x,x;-mx,mx,mx) (x,-x,-x;mx,-mx,-mx) (-x,x,-x;-mx,mx,-mx) (-x,-x,x;-mx,-mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/2,-x+1/2,-x+1/2;mx,mx,mx) (-x+1/2,x+1/2,-x+1/2;mx,-mx,mx) (-x+1/2,-x+1/2,x+1/2;mx,mx,-mx) (x+1/2,-x+1/2,-x+1/2;-mx,mx,mx) (-x+1/2,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x+1/2,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x+1/2;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,0,0;mx,0,0) (0,0,-x;0,0,-mx) (0,0,x;0,0,mx) (0,x,0;0,mx,0) (0,-x,0;0,-mx,0) (-x,0,0;-mx,0,0) (-x+1/2,1/2,1/2;mx,0,0) (1/2,1/2,x+1/2;0,0,-mx) (1/2,1/2,-x+1/2;0,0,mx) (1/2,-x+1/2,1/2;0,mx,0) (1/2,x+1/2,1/2;0,-mx,0) (x+1/2,1/2,1/2;-mx,0,0) 12d (1/4,0,1/2;mx,0,0) (1/4,-1/2,0;mx,0,0) (-1/2,0,-1/4;0,0,-mx) (-1/2,0,1/4;0,0,mx) (0,1/4,1/2;0,mx,0) (0,-1/4,-1/2;0,-mx,0) (-1/4,0,-1/2;-mx,0,0) (-1/4,-1/2,0;-mx,0,0) (1/2,1/4,0;0,mx,0) (0,1/2,1/4;0,0,mx) (0,-1/2,-1/4;0,0,-mx) (1/2,-1/4,0;0,-mx,0) 8c (1/4,1/4,1/4;mx,mx,mx) (1/4,-1/4,1/4;mx,-mx,mx) (1/4,1/4,-1/4;mx,mx,-mx) (-1/4,1/4,1/4;-mx,mx,mx) (1/4,-1/4,-1/4;mx,-mx,-mx) (-1/4,1/4,-1/4;-mx,mx,-mx) (-1/4,-1/4,1/4;-mx,-mx,mx) (-1/4,-1/4,-1/4;-mx,-mx,-mx) 6b (0,1/2,1/2;0,0,0) (1/2,1/2,0;0,0,0) (1/2,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,0,1/2;0,0,0) (0,1/2,0;0,0,0) 2a (0,0,0;0,0,0) (1/2,1/2,1/2;0,0,0) Operators (BNS): (1|0,0,0) (4x|0,1/2,0) (4x-1|0,0,1/2) (4y|0,0,1/2) (4y-1|1/2,0,0) (4z|1/2,0,0) (4z-1|0,1/2,0) (2x|0,1/2,1/2) (2y|1/2,0,1/2) (2z|1/2,1/2,0) (2xy|0,0,1/2) (2-xy|1/2,1/2,1/2) (2yz|1/2,0,0) (2-yz|1/2,1/2,1/2) (2xz|0,1/2,0) (2-xz|1/2,1/2,1/2) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,1/2) (3-xyz-1|1/2,1/2,0) (3x-yz|1/2,1/2,0) (3x-yz-1|0,1/2,1/2) (3xy-z|0,1/2,1/2) (3xy-z-1|1/2,0,1/2) (-1|0,0,0) (-4x|0,1/2,0) (-4x-1|0,0,1/2) (-4y|0,0,1/2) (-4y-1|1/2,0,0) (-4z|1/2,0,0) (-4z-1|0,1/2,0) (mx|0,1/2,1/2) (my|1/2,0,1/2) (mz|1/2,1/2,0) (mxy|0,0,1/2) (m-xy|1/2,1/2,1/2) (myz|1/2,0,0) (m-yz|1/2,1/2,1/2) (mxz|0,1/2,0) (m-xz|1/2,1/2,1/2) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,1/2) (-3-xyz-1|1/2,1/2,0) (-3x-yz|1/2,1/2,0) (-3x-yz-1|0,1/2,1/2) (-3xy-z|0,1/2,1/2) (-3xy-z-1|1/2,0,1/2) (1|1/2,1/2,1/2)' (4x|1/2,0,1/2)' (4x-1|1/2,1/2,0)' (4y|1/2,1/2,0)' (4y-1|0,1/2,1/2)' (4z|0,1/2,1/2)' (4z-1|1/2,0,1/2)' (2x|1/2,0,0)' (2y|0,1/2,0)' (2z|0,0,1/2)' (2xy|1/2,1/2,0)' (2-xy|0,0,0)' (2yz|0,1/2,1/2)' (2-yz|0,0,0)' (2xz|1/2,0,1/2)' (2-xz|0,0,0)' (3xyz|1/2,1/2,1/2)' (3xyz-1|1/2,1/2,1/2)' (3-xyz|0,1/2,0)' (3-xyz-1|0,0,1/2)' (3x-yz|0,0,1/2)' (3x-yz-1|1/2,0,0)' (3xy-z|1/2,0,0)' (3xy-z-1|0,1/2,0)' (-1|1/2,1/2,1/2)' (-4x|1/2,0,1/2)' (-4x-1|1/2,1/2,0)' (-4y|1/2,1/2,0)' (-4y-1|0,1/2,1/2)' (-4z|0,1/2,1/2)' (-4z-1|1/2,0,1/2)' (mx|1/2,0,0)' (my|0,1/2,0)' (mz|0,0,1/2)' (mxy|1/2,1/2,0)' (m-xy|0,0,0)' (myz|0,1/2,1/2)' (m-yz|0,0,0)' (mxz|1/2,0,1/2)' (m-xz|0,0,0)' (-3xyz|1/2,1/2,1/2)' (-3xyz-1|1/2,1/2,1/2)' (-3-xyz|0,1/2,0)' (-3-xyz-1|0,0,1/2)' (-3x-yz|0,0,1/2)' (-3x-yz-1|1/2,0,0)' (-3xy-z|1/2,0,0)' (-3xy-z-1|0,1/2,0)' Wyckoff positions (BNS): 96l (x,y,z;mx,my,mz) (x,-z+1/2,y;mx,-mz,my) (x,z,-y+1/2;mx,mz,-my) (z,y,-x+1/2;mz,my,-mx) (-z+1/2,y,x;-mz,my,mx) (-y+1/2,x,z;-my,mx,mz) (y,-x+1/2,z;my,-mx,mz) (x,-y+1/2,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z+1/2;-mx,my,-mz) (-x+1/2,-y+1/2,z;-mx,-my,mz) (y,x,-z+1/2;my,mx,-mz) (-y+1/2,-x+1/2,-z+1/2;-my,-mx,-mz) (-x+1/2,z,y;-mx,mz,my) (-x+1/2,-z+1/2,-y+1/2;-mx,-mz,-my) (z,-y+1/2,x;mz,-my,mx) (-z+1/2,-y+1/2,-x+1/2;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x+1/2;-my,mz,-mx) (-z+1/2,-x+1/2,y;-mz,-mx,my) (-y+1/2,-z+1/2,x;-my,-mz,mx) (z,-x+1/2,-y+1/2;mz,-mx,-my) (y,-z+1/2,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y+1/2;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x,z+1/2,-y;mx,-mz,my) (-x,-z,y+1/2;mx,mz,-my) (-z,-y,x+1/2;mz,my,-mx) (z+1/2,-y,-x;-mz,my,mx) (y+1/2,-x,-z;-my,mx,mz) (-y,x+1/2,-z;my,-mx,mz) (-x,y+1/2,z+1/2;mx,-my,-mz) (x+1/2,-y,z+1/2;-mx,my,-mz) (x+1/2,y+1/2,-z;-mx,-my,mz) (-y,-x,z+1/2;my,mx,-mz) (y+1/2,x+1/2,z+1/2;-my,-mx,-mz) (x+1/2,-z,-y;-mx,mz,my) (x+1/2,z+1/2,y+1/2;-mx,-mz,-my) (-z,y+1/2,-x;mz,-my,mx) (z+1/2,y+1/2,x+1/2;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x+1/2;-my,mz,-mx) (z+1/2,x+1/2,-y;-mz,-mx,my) (y+1/2,z+1/2,-x;-my,-mz,mx) (-z,x+1/2,y+1/2;mz,-mx,-my) (-y,z+1/2,x+1/2;my,-mz,-mx) (z+1/2,-x,y+1/2;-mz,mx,-my) (x+1/2,y+1/2,z+1/2;-mx,-my,-mz) (x+1/2,-z,y+1/2;-mx,mz,-my) (x+1/2,z+1/2,-y;-mx,-mz,my) (z+1/2,y+1/2,-x;-mz,-my,mx) (-z,y+1/2,x+1/2;mz,-my,-mx) (-y,x+1/2,z+1/2;my,-mx,-mz) (y+1/2,-x,z+1/2;-my,mx,-mz) (x+1/2,-y,-z;-mx,my,mz) (-x,y+1/2,-z;mx,-my,mz) (-x,-y,z+1/2;mx,my,-mz) (y+1/2,x+1/2,-z;-my,-mx,mz) (-y,-x,-z;my,mx,mz) (-x,z+1/2,y+1/2;mx,-mz,-my) (-x,-z,-y;mx,mz,my) (z+1/2,-y,x+1/2;-mz,my,-mx) (-z,-y,-x;mz,my,mx) (z+1/2,x+1/2,y+1/2;-mz,-mx,-my) (y+1/2,z+1/2,x+1/2;-my,-mz,-mx) (-y,z+1/2,-x;my,-mz,mx) (-z,-x,y+1/2;mz,mx,-my) (-y,-z,x+1/2;my,mz,-mx) (z+1/2,-x,-y;-mz,mx,my) (y+1/2,-z,-x;-my,mz,mx) (-z,x+1/2,-y;mz,-mx,my) (-x+1/2,-y+1/2,-z+1/2;-mx,-my,-mz) (-x+1/2,z,-y+1/2;-mx,mz,-my) (-x+1/2,-z+1/2,y;-mx,-mz,my) (-z+1/2,-y+1/2,x;-mz,-my,mx) (z,-y+1/2,-x+1/2;mz,-my,-mx) (y,-x+1/2,-z+1/2;my,-mx,-mz) (-y+1/2,x,-z+1/2;-my,mx,-mz) (-x+1/2,y,z;-mx,my,mz) (x,-y+1/2,z;mx,-my,mz) (x,y,-z+1/2;mx,my,-mz) (-y+1/2,-x+1/2,z;-my,-mx,mz) (y,x,z;my,mx,mz) (x,-z+1/2,-y+1/2;mx,-mz,-my) (x,z,y;mx,mz,my) (-z+1/2,y,-x+1/2;-mz,my,-mx) (z,y,x;mz,my,mx) (-z+1/2,-x+1/2,-y+1/2;-mz,-mx,-my) (-y+1/2,-z+1/2,-x+1/2;-my,-mz,-mx) (y,-z+1/2,x;my,-mz,mx) (z,x,-y+1/2;mz,mx,-my) (y,z,-x+1/2;my,mz,-mx) (-z+1/2,x,y;-mz,mx,my) (-y+1/2,z,x;-my,mz,mx) (z,-x+1/2,y;mz,-mx,my) 48k (x,x,z;mx,mx,mz) (x,-z+1/2,x;mx,-mz,mx) (x,z,-x+1/2;mx,mz,-mx) (z,x,-x+1/2;mz,mx,-mx) (-z+1/2,x,x;-mz,mx,mx) (-x+1/2,x,z;-mx,mx,mz) (x,-x+1/2,z;mx,-mx,mz) (x,-x+1/2,-z+1/2;mx,-mx,-mz) (-x+1/2,x,-z+1/2;-mx,mx,-mz) (-x+1/2,-x+1/2,z;-mx,-mx,mz) (x,x,-z+1/2;mx,mx,-mz) (-x+1/2,-x+1/2,-z+1/2;-mx,-mx,-mz) (-x+1/2,z,x;-mx,mz,mx) (-x+1/2,-z+1/2,-x+1/2;-mx,-mz,-mx) (z,-x+1/2,x;mz,-mx,mx) (-z+1/2,-x+1/2,-x+1/2;-mz,-mx,-mx) (z,x,x;mz,mx,mx) (x,z,x;mx,mz,mx) (-x+1/2,z,-x+1/2;-mx,mz,-mx) (-z+1/2,-x+1/2,x;-mz,-mx,mx) (-x+1/2,-z+1/2,x;-mx,-mz,mx) (z,-x+1/2,-x+1/2;mz,-mx,-mx) (x,-z+1/2,-x+1/2;mx,-mz,-mx) (-z+1/2,x,-x+1/2;-mz,mx,-mx) (-x,-x,-z;mx,mx,mz) (-x,z+1/2,-x;mx,-mz,mx) (-x,-z,x+1/2;mx,mz,-mx) (-z,-x,x+1/2;mz,mx,-mx) (z+1/2,-x,-x;-mz,mx,mx) (x+1/2,-x,-z;-mx,mx,mz) (-x,x+1/2,-z;mx,-mx,mz) (-x,x+1/2,z+1/2;mx,-mx,-mz) (x+1/2,-x,z+1/2;-mx,mx,-mz) (x+1/2,x+1/2,-z;-mx,-mx,mz) (-x,-x,z+1/2;mx,mx,-mz) (x+1/2,x+1/2,z+1/2;-mx,-mx,-mz) (x+1/2,-z,-x;-mx,mz,mx) (x+1/2,z+1/2,x+1/2;-mx,-mz,-mx) (-z,x+1/2,-x;mz,-mx,mx) (z+1/2,x+1/2,x+1/2;-mz,-mx,-mx) (-z,-x,-x;mz,mx,mx) (-x,-z,-x;mx,mz,mx) (x+1/2,-z,x+1/2;-mx,mz,-mx) (z+1/2,x+1/2,-x;-mz,-mx,mx) (x+1/2,z+1/2,-x;-mx,-mz,mx) (-z,x+1/2,x+1/2;mz,-mx,-mx) (-x,z+1/2,x+1/2;mx,-mz,-mx) (z+1/2,-x,x+1/2;-mz,mx,-mx) 48j (3/4,y,z;0,my,mz) (3/4,-z+1/2,y;0,-mz,my) (3/4,z,-y+1/2;0,mz,-my) (z,y,3/4;mz,my,0) (-z+1/2,y,3/4;-mz,my,0) (-y+1/2,3/4,z;-my,0,mz) (y,3/4,z;my,0,mz) (3/4,-y+1/2,-z+1/2;0,-my,-mz) (3/4,y,-z+1/2;0,my,-mz) (3/4,-y+1/2,z;0,-my,mz) (y,3/4,-z+1/2;my,0,-mz) (-y+1/2,3/4,-z+1/2;-my,0,-mz) (3/4,z,y;0,mz,my) (3/4,-z+1/2,-y+1/2;0,-mz,-my) (z,-y+1/2,3/4;mz,-my,0) (-z+1/2,-y+1/2,3/4;-mz,-my,0) (z,3/4,y;mz,0,my) (y,z,3/4;my,mz,0) (-y+1/2,z,3/4;-my,mz,0) (-z+1/2,3/4,y;-mz,0,my) (-y+1/2,-z+1/2,3/4;-my,-mz,0) (z,3/4,-y+1/2;mz,0,-my) (y,-z+1/2,3/4;my,-mz,0) (-z+1/2,3/4,-y+1/2;-mz,0,-my) (1/4,-y,-z;0,my,mz) (1/4,z+1/2,-y;0,-mz,my) (1/4,-z,y+1/2;0,mz,-my) (-z,-y,1/4;mz,my,0) (z+1/2,-y,1/4;-mz,my,0) (y+1/2,1/4,-z;-my,0,mz) (-y,1/4,-z;my,0,mz) (1/4,y+1/2,z+1/2;0,-my,-mz) (1/4,-y,z+1/2;0,my,-mz) (1/4,y+1/2,-z;0,-my,mz) (-y,1/4,z+1/2;my,0,-mz) (y+1/2,1/4,z+1/2;-my,0,-mz) (1/4,-z,-y;0,mz,my) (1/4,z+1/2,y+1/2;0,-mz,-my) (-z,y+1/2,1/4;mz,-my,0) (z+1/2,y+1/2,1/4;-mz,-my,0) (-z,1/4,-y;mz,0,my) (-y,-z,1/4;my,mz,0) (y+1/2,-z,1/4;-my,mz,0) (z+1/2,1/4,-y;-mz,0,my) (y+1/2,z+1/2,1/4;-my,-mz,0) (-z,1/4,y+1/2;mz,0,-my) (-y,z+1/2,1/4;my,-mz,0) (z+1/2,1/4,y+1/2;-mz,0,-my) 48i (0,y,-y;mx,my,my) (0,y+1/2,y;mx,-my,my) (0,-y,-y+1/2;mx,my,-my) (-y,y,1/2;my,my,-mx) (y+1/2,y,0;-my,my,mx) (-y+1/2,0,-y;-my,mx,my) (y,1/2,-y;my,-mx,my) (0,-y+1/2,y+1/2;mx,-my,-my) (1/2,y,y+1/2;-mx,my,-my) (1/2,-y+1/2,-y;-mx,-my,my) (y,0,y+1/2;my,mx,-my) (-y+1/2,1/2,y+1/2;-my,-mx,-my) (1/2,-y,y;-mx,my,my) (1/2,y+1/2,-y+1/2;-mx,-my,-my) (-y,-y+1/2,0;my,-my,mx) (y+1/2,-y+1/2,1/2;-my,-my,-mx) (-y,0,y;my,mx,my) (y,-y,0;my,my,mx) (-y+1/2,-y,1/2;-my,my,-mx) (y+1/2,1/2,y;-my,-mx,my) (-y+1/2,y+1/2,0;-my,-my,mx) (-y,1/2,-y+1/2;my,-mx,-my) (y,y+1/2,1/2;my,-my,-mx) (y+1/2,0,-y+1/2;-my,mx,-my) (0,-y,y;mx,my,my) (0,-y+1/2,-y;mx,-my,my) (0,y,y+1/2;mx,my,-my) (y,-y,1/2;my,my,-mx) (-y+1/2,-y,0;-my,my,mx) (y+1/2,0,y;-my,mx,my) (-y,1/2,y;my,-mx,my) (0,y+1/2,-y+1/2;mx,-my,-my) (1/2,-y,-y+1/2;-mx,my,-my) (1/2,y+1/2,y;-mx,-my,my) (-y,0,-y+1/2;my,mx,-my) (y+1/2,1/2,-y+1/2;-my,-mx,-my) (1/2,y,-y;-mx,my,my) (1/2,-y+1/2,y+1/2;-mx,-my,-my) (y,y+1/2,0;my,-my,mx) (-y+1/2,y+1/2,1/2;-my,-my,-mx) (y,0,-y;my,mx,my) (-y,y,0;my,my,mx) (y+1/2,y,1/2;-my,my,-mx) (-y+1/2,1/2,-y;-my,-mx,my) (y+1/2,-y+1/2,0;-my,-my,mx) (y,1/2,y+1/2;my,-mx,-my) (-y,-y+1/2,1/2;my,-my,-mx) (-y+1/2,0,y+1/2;-my,mx,-my) 24h (3/4,y,y;0,my,my) (3/4,-y+1/2,y;0,-my,my) (3/4,y,-y+1/2;0,my,-my) (y,y,3/4;my,my,0) (-y+1/2,y,3/4;-my,my,0) (-y+1/2,3/4,y;-my,0,my) (y,3/4,y;my,0,my) (3/4,-y+1/2,-y+1/2;0,-my,-my) (y,3/4,-y+1/2;my,0,-my) (-y+1/2,3/4,-y+1/2;-my,0,-my) (y,-y+1/2,3/4;my,-my,0) (-y+1/2,-y+1/2,3/4;-my,-my,0) (1/4,-y,-y;0,my,my) (1/4,y+1/2,-y;0,-my,my) (1/4,-y,y+1/2;0,my,-my) (-y,-y,1/4;my,my,0) (y+1/2,-y,1/4;-my,my,0) (y+1/2,1/4,-y;-my,0,my) (-y,1/4,-y;my,0,my) (1/4,y+1/2,y+1/2;0,-my,-my) (-y,1/4,y+1/2;my,0,-my) (y+1/2,1/4,y+1/2;-my,0,-my) (-y,y+1/2,1/4;my,-my,0) (y+1/2,y+1/2,1/4;-my,-my,0) 24g (x,3/4,1/4;mx,0,0) (x,1/4,3/4;mx,0,0) (1/4,3/4,-x+1/2;0,0,-mx) (1/4,3/4,x;0,0,mx) (3/4,x,1/4;0,mx,0) (3/4,-x+1/2,1/4;0,-mx,0) (-x+1/2,3/4,1/4;-mx,0,0) (-x+1/2,1/4,3/4;-mx,0,0) (1/4,x,3/4;0,mx,0) (3/4,1/4,x;0,0,mx) (3/4,1/4,-x+1/2;0,0,-mx) (1/4,-x+1/2,3/4;0,-mx,0) (-x,1/4,3/4;mx,0,0) (-x,3/4,1/4;mx,0,0) (3/4,1/4,x+1/2;0,0,-mx) (3/4,1/4,-x;0,0,mx) (1/4,-x,3/4;0,mx,0) (1/4,x+1/2,3/4;0,-mx,0) (x+1/2,1/4,3/4;-mx,0,0) (x+1/2,3/4,1/4;-mx,0,0) (3/4,-x,1/4;0,mx,0) (1/4,3/4,-x;0,0,mx) (1/4,3/4,x+1/2;0,0,-mx) (3/4,x+1/2,1/4;0,-mx,0) 16f (x,x,x;mx,mx,mx) (x,-x+1/2,x;mx,-mx,mx) (x,x,-x+1/2;mx,mx,-mx) (-x+1/2,x,x;-mx,mx,mx) (x,-x+1/2,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x+1/2;-mx,mx,-mx) (-x+1/2,-x+1/2,x;-mx,-mx,mx) (-x+1/2,-x+1/2,-x+1/2;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x,x+1/2,-x;mx,-mx,mx) (-x,-x,x+1/2;mx,mx,-mx) (x+1/2,-x,-x;-mx,mx,mx) (-x,x+1/2,x+1/2;mx,-mx,-mx) (x+1/2,-x,x+1/2;-mx,mx,-mx) (x+1/2,x+1/2,-x;-mx,-mx,mx) (x+1/2,x+1/2,x+1/2;-mx,-mx,-mx) 12e (x,3/4,3/4;mx,0,0) (3/4,3/4,-x+1/2;0,0,-mx) (3/4,3/4,x;0,0,mx) (3/4,x,3/4;0,mx,0) (3/4,-x+1/2,3/4;0,-mx,0) (-x+1/2,3/4,3/4;-mx,0,0) (-x,1/4,1/4;mx,0,0) (1/4,1/4,x+1/2;0,0,-mx) (1/4,1/4,-x;0,0,mx) (1/4,-x,1/4;0,mx,0) (1/4,x+1/2,1/4;0,-mx,0) (x+1/2,1/4,1/4;-mx,0,0) 12d (0,3/4,1/4;mx,0,0) (0,1/4,3/4;mx,0,0) (1/4,3/4,1/2;0,0,-mx) (1/4,3/4,0;0,0,mx) (3/4,0,1/4;0,mx,0) (3/4,1/2,1/4;0,-mx,0) (1/2,3/4,1/4;-mx,0,0) (1/2,1/4,3/4;-mx,0,0) (1/4,0,3/4;0,mx,0) (3/4,1/4,0;0,0,mx) (3/4,1/4,1/2;0,0,-mx) (1/4,1/2,3/4;0,-mx,0) 8c (0,0,0;mx,mx,mx) (0,1/2,0;mx,-mx,mx) (0,0,1/2;mx,mx,-mx) (1/2,0,0;-mx,mx,mx) (0,1/2,1/2;mx,-mx,-mx) (1/2,0,1/2;-mx,mx,-mx) (1/2,1/2,0;-mx,-mx,mx) (1/2,1/2,1/2;-mx,-mx,-mx) 6b (3/4,1/4,1/4;0,0,0) (1/4,1/4,3/4;0,0,0) (1/4,3/4,1/4;0,0,0) (1/4,3/4,3/4;0,0,0) (3/4,3/4,1/4;0,0,0) (3/4,1/4,3/4;0,0,0) 2a (3/4,3/4,3/4;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 230.1.1647 Ia-3d UNI: 230.145 Ia-3d.1 BNS: 230.145 Ia-3d Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,3/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,3/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0) (-4x|1/4,1/4,3/4) (-4x-1|3/4,1/4,1/4) (-4y|3/4,1/4,1/4) (-4y-1|1/4,3/4,1/4) (-4z|1/4,3/4,1/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (myz|1/4,3/4,1/4) (m-yz|1/4,1/4,1/4) (mxz|1/4,1/4,3/4) (m-xz|1/4,1/4,1/4) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z+1/4,-y+3/4;mx,-mz,my) (-x+3/4,-z+1/4,y+1/4;mx,mz,-my) (-z+3/4,-y+1/4,x+1/4;mz,my,-mx) (z+1/4,-y+3/4,-x+1/4;-mz,my,mx) (y+1/4,-x+3/4,-z+1/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) (x+1/4,-z+3/4,-y+1/4;-mx,mz,my) (x+1/4,z+1/4,y+1/4;-mx,-mz,-my) (-z+1/4,y+1/4,-x+3/4;mz,-my,mx) (z+1/4,y+1/4,x+1/4;-mz,-my,-mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x;-my,mz,-mx) (z,x+1/2,-y;-mz,-mx,my) (y,z+1/2,-x;-my,-mz,mx) (-z,x,y+1/2;mz,-mx,-my) (-y,z,x+1/2;my,-mz,-mx) (z+1/2,-x,y;-mz,mx,-my) 48g (1/8,y,-y+1/4;0,my,-my) (3/8,y,y+3/4;0,my,my) (7/8,-y+1/2,-y+1/4;0,-my,-my) (-y,y+1/4,1/8;-my,my,0) (y,y+3/4,3/8;my,my,0) (-y+1/4,7/8,-y+1/2;-my,0,-my) (y+1/4,1/8,-y;my,0,-my) (1/8,-y,y+1/4;0,-my,my) (y+3/4,3/8,y;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y+1/2,-y+1/4,7/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) (7/8,-y,y+3/4;0,my,-my) (5/8,-y,-y+1/4;0,my,my) (1/8,y+1/2,y+3/4;0,-my,-my) (y,-y+3/4,7/8;-my,my,0) (-y,-y+1/4,5/8;my,my,0) (y+3/4,1/8,y+1/2;-my,0,-my) (-y+3/4,7/8,y;my,0,-my) (7/8,y,-y+3/4;0,-my,my) (-y+1/4,5/8,-y;my,0,my) (y+3/4,7/8,-y;-my,0,my) (y+1/2,y+3/4,1/8;-my,-my,0) (-y,y+3/4,7/8;my,-my,0) 48f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;mx,0,0) (0,1/4,-x+1/4;0,0,-mx) (0,3/4,x+1/4;0,0,mx) (1/4,x+3/4,1/2;0,mx,0) (1/4,-x+1/4,0;0,-mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;mx,0,0) (-x+1/4,1/2,3/4;mx,0,0) (1/2,1/4,x+1/4;0,0,-mx) (1/2,3/4,-x+1/4;0,0,mx) (1/4,-x+3/4,0;0,mx,0) (1/4,x+1/4,1/2;0,-mx,0) (x+1/2,0,1/4;-mx,0,0) (x+1/4,1/2,1/4;-mx,0,0) (3/4,-x,0;0,mx,0) (0,3/4,-x;0,0,mx) (0,1/4,x+1/2;0,0,-mx) (3/4,x,1/2;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (-x,-x,-x;mx,mx,mx) (-x+1/4,x+1/4,-x+3/4;mx,-mx,mx) (-x+3/4,-x+1/4,x+1/4;mx,mx,-mx) (x+1/4,-x+3/4,-x+1/4;-mx,mx,mx) (-x,x,x+1/2;mx,-mx,-mx) (x+1/2,-x,x;-mx,mx,-mx) (x,x+1/2,-x;-mx,-mx,mx) (x+1/4,x+1/4,x+1/4;-mx,-mx,-mx) 24d (3/8,0,1/4;mx,0,0) (5/8,0,3/4;mx,0,0) (0,1/4,7/8;0,0,-mx) (0,3/4,5/8;0,0,mx) (1/4,1/8,1/2;0,mx,0) (1/4,7/8,0;0,-mx,0) (1/8,0,3/4;-mx,0,0) (7/8,0,1/4;-mx,0,0) (1/4,3/8,0;0,mx,0) (0,1/4,3/8;0,0,mx) (0,3/4,1/8;0,0,-mx) (1/4,5/8,1/2;0,-mx,0) 24c (1/8,0,1/4;0,0,0) (3/8,0,3/4;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) (1/4,7/8,1/2;0,0,0) (1/4,1/8,0;0,0,0) (7/8,0,3/4;0,0,0) (5/8,0,1/4;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) (3/4,1/8,1/2;0,0,0) (3/4,7/8,0;0,0,0) 16b (1/8,1/8,1/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 16a (0,0,0;mx,mx,mx) (1/4,1/4,3/4;mx,-mx,mx) (3/4,1/4,1/4;mx,mx,-mx) (1/4,3/4,1/4;-mx,mx,mx) (0,0,1/2;mx,-mx,-mx) (1/2,0,0;-mx,mx,-mx) (0,1/2,0;-mx,-mx,mx) (1/4,1/4,1/4;-mx,-mx,-mx) ---------- OG: 230.2.1648 Ia-3d1' UNI: 230.146 Ia-3d.1' BNS: 230.146 Ia-3d1' Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,3/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,3/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0) (-4x|1/4,1/4,3/4) (-4x-1|3/4,1/4,1/4) (-4y|3/4,1/4,1/4) (-4y-1|1/4,3/4,1/4) (-4z|1/4,3/4,1/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (myz|1/4,3/4,1/4) (m-yz|1/4,1/4,1/4) (mxz|1/4,1/4,3/4) (m-xz|1/4,1/4,1/4) (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) (1|0,0,0)' (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2)' (2y|1/2,0,0)' (2z|0,1/2,0)' (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,3/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,3/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0)' (3xyz-1|0,0,0)' (3-xyz|1/2,0,0)' (3-xyz-1|0,1/2,0)' (3x-yz|0,1/2,0)' (3x-yz-1|0,0,1/2)' (3xy-z|0,0,1/2)' (3xy-z-1|1/2,0,0)' (-1|0,0,0)' (-4x|1/4,1/4,3/4)' (-4x-1|3/4,1/4,1/4)' (-4y|3/4,1/4,1/4)' (-4y-1|1/4,3/4,1/4)' (-4z|1/4,3/4,1/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (myz|1/4,3/4,1/4)' (m-yz|1/4,1/4,1/4)' (mxz|1/4,1/4,3/4)' (m-xz|1/4,1/4,1/4)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,0)' (-3-xyz-1|0,1/2,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z|0,0,1/2)' (-3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96h (x,y,z;0,0,0) (x+1/4,-z+1/4,y+3/4;0,0,0) (x+3/4,z+1/4,-y+1/4;0,0,0) (z+3/4,y+1/4,-x+1/4;0,0,0) (-z+1/4,y+3/4,x+1/4;0,0,0) (-y+1/4,x+3/4,z+1/4;0,0,0) (y+1/4,-x+1/4,z+3/4;0,0,0) (x,-y,-z+1/2;0,0,0) (-x+1/2,y,-z;0,0,0) (-x,-y+1/2,z;0,0,0) (y+3/4,x+1/4,-z+1/4;0,0,0) (-y+1/4,-x+1/4,-z+1/4;0,0,0) (-x+1/4,z+3/4,y+1/4;0,0,0) (-x+1/4,-z+1/4,-y+1/4;0,0,0) (z+1/4,-y+1/4,x+3/4;0,0,0) (-z+1/4,-y+1/4,-x+1/4;0,0,0) (z,x,y;0,0,0) (y,z,x;0,0,0) (-y+1/2,z,-x;0,0,0) (-z,-x+1/2,y;0,0,0) (-y,-z+1/2,x;0,0,0) (z,-x,-y+1/2;0,0,0) (y,-z,-x+1/2;0,0,0) (-z+1/2,x,-y;0,0,0) (-x,-y,-z;0,0,0) (-x+1/4,z+1/4,-y+3/4;0,0,0) (-x+3/4,-z+1/4,y+1/4;0,0,0) (-z+3/4,-y+1/4,x+1/4;0,0,0) (z+1/4,-y+3/4,-x+1/4;0,0,0) (y+1/4,-x+3/4,-z+1/4;0,0,0) (-y+1/4,x+1/4,-z+3/4;0,0,0) (-x,y,z+1/2;0,0,0) (x+1/2,-y,z;0,0,0) (x,y+1/2,-z;0,0,0) (-y+3/4,-x+1/4,z+1/4;0,0,0) (y+1/4,x+1/4,z+1/4;0,0,0) (x+1/4,-z+3/4,-y+1/4;0,0,0) (x+1/4,z+1/4,y+1/4;0,0,0) (-z+1/4,y+1/4,-x+3/4;0,0,0) (z+1/4,y+1/4,x+1/4;0,0,0) (-z,-x,-y;0,0,0) (-y,-z,-x;0,0,0) (y+1/2,-z,x;0,0,0) (z,x+1/2,-y;0,0,0) (y,z+1/2,-x;0,0,0) (-z,x,y+1/2;0,0,0) (-y,z,x+1/2;0,0,0) (z+1/2,-x,y;0,0,0) 48g (1/8,y,-y+1/4;0,0,0) (3/8,y,y+3/4;0,0,0) (7/8,-y+1/2,-y+1/4;0,0,0) (-y,y+1/4,1/8;0,0,0) (y,y+3/4,3/8;0,0,0) (-y+1/4,7/8,-y+1/2;0,0,0) (y+1/4,1/8,-y;0,0,0) (1/8,-y,y+1/4;0,0,0) (y+3/4,3/8,y;0,0,0) (-y+1/4,1/8,y;0,0,0) (-y+1/2,-y+1/4,7/8;0,0,0) (y,-y+1/4,1/8;0,0,0) (7/8,-y,y+3/4;0,0,0) (5/8,-y,-y+1/4;0,0,0) (1/8,y+1/2,y+3/4;0,0,0) (y,-y+3/4,7/8;0,0,0) (-y,-y+1/4,5/8;0,0,0) (y+3/4,1/8,y+1/2;0,0,0) (-y+3/4,7/8,y;0,0,0) (7/8,y,-y+3/4;0,0,0) (-y+1/4,5/8,-y;0,0,0) (y+3/4,7/8,-y;0,0,0) (y+1/2,y+3/4,1/8;0,0,0) (-y,y+3/4,7/8;0,0,0) 48f (x,0,1/4;0,0,0) (x+1/4,0,3/4;0,0,0) (0,1/4,-x+1/4;0,0,0) (0,3/4,x+1/4;0,0,0) (1/4,x+3/4,1/2;0,0,0) (1/4,-x+1/4,0;0,0,0) (-x+1/2,0,3/4;0,0,0) (-x+1/4,0,1/4;0,0,0) (1/4,x,0;0,0,0) (0,1/4,x;0,0,0) (0,3/4,-x+1/2;0,0,0) (1/4,-x,1/2;0,0,0) (-x,0,3/4;0,0,0) (-x+1/4,1/2,3/4;0,0,0) (1/2,1/4,x+1/4;0,0,0) (1/2,3/4,-x+1/4;0,0,0) (1/4,-x+3/4,0;0,0,0) (1/4,x+1/4,1/2;0,0,0) (x+1/2,0,1/4;0,0,0) (x+1/4,1/2,1/4;0,0,0) (3/4,-x,0;0,0,0) (0,3/4,-x;0,0,0) (0,1/4,x+1/2;0,0,0) (3/4,x,1/2;0,0,0) 32e (x,x,x;0,0,0) (x+1/4,-x+1/4,x+3/4;0,0,0) (x+3/4,x+1/4,-x+1/4;0,0,0) (-x+1/4,x+3/4,x+1/4;0,0,0) (x,-x,-x+1/2;0,0,0) (-x+1/2,x,-x;0,0,0) (-x,-x+1/2,x;0,0,0) (-x+1/4,-x+1/4,-x+1/4;0,0,0) (-x,-x,-x;0,0,0) (-x+1/4,x+1/4,-x+3/4;0,0,0) (-x+3/4,-x+1/4,x+1/4;0,0,0) (x+1/4,-x+3/4,-x+1/4;0,0,0) (-x,x,x+1/2;0,0,0) (x+1/2,-x,x;0,0,0) (x,x+1/2,-x;0,0,0) (x+1/4,x+1/4,x+1/4;0,0,0) 24d (3/8,0,1/4;0,0,0) (5/8,0,3/4;0,0,0) (0,1/4,7/8;0,0,0) (0,3/4,5/8;0,0,0) (1/4,1/8,1/2;0,0,0) (1/4,7/8,0;0,0,0) (1/8,0,3/4;0,0,0) (7/8,0,1/4;0,0,0) (1/4,3/8,0;0,0,0) (0,1/4,3/8;0,0,0) (0,3/4,1/8;0,0,0) (1/4,5/8,1/2;0,0,0) 24c (1/8,0,1/4;0,0,0) (3/8,0,3/4;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) (1/4,7/8,1/2;0,0,0) (1/4,1/8,0;0,0,0) (7/8,0,3/4;0,0,0) (5/8,0,1/4;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) (3/4,1/8,1/2;0,0,0) (3/4,7/8,0;0,0,0) 16b (1/8,1/8,1/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 16a (0,0,0;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 230.3.1649 Ia'-3'd UNI: 230.147 Ia'-3'd BNS: 230.147 Ia'-3'd Operators: (1|0,0,0) (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,3/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,3/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0)' (-4x|1/4,1/4,3/4) (-4x-1|3/4,1/4,1/4) (-4y|3/4,1/4,1/4) (-4y-1|1/4,3/4,1/4) (-4z|1/4,3/4,1/4) (-4z-1|1/4,1/4,3/4) (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4) (m-xy|1/4,1/4,1/4) (myz|1/4,3/4,1/4) (m-yz|1/4,1/4,1/4) (mxz|1/4,1/4,3/4) (m-xz|1/4,1/4,1/4) (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,0)' (-3-xyz-1|0,1/2,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z|0,0,1/2)' (-3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z+1/4,-y+3/4;mx,-mz,my) (-x+3/4,-z+1/4,y+1/4;mx,mz,-my) (-z+3/4,-y+1/4,x+1/4;mz,my,-mx) (z+1/4,-y+3/4,-x+1/4;-mz,my,mx) (y+1/4,-x+3/4,-z+1/4;-my,mx,mz) (-y+1/4,x+1/4,-z+3/4;my,-mx,mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;my,mx,-mz) (y+1/4,x+1/4,z+1/4;-my,-mx,-mz) (x+1/4,-z+3/4,-y+1/4;-mx,mz,my) (x+1/4,z+1/4,y+1/4;-mx,-mz,-my) (-z+1/4,y+1/4,-x+3/4;mz,-my,mx) (z+1/4,y+1/4,x+1/4;-mz,-my,-mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x;my,-mz,mx) (z,x+1/2,-y;mz,mx,-my) (y,z+1/2,-x;my,mz,-mx) (-z,x,y+1/2;-mz,mx,my) (-y,z,x+1/2;-my,mz,mx) (z+1/2,-x,y;mz,-mx,my) 48g (1/8,y,-y+1/4;mx,my,my) (3/8,y,y+3/4;-mx,my,-my) (7/8,-y+1/2,-y+1/4;-mx,-my,my) (-y,y+1/4,1/8;-my,-my,mx) (y,y+3/4,3/8;my,-my,-mx) (-y+1/4,7/8,-y+1/2;my,-mx,-my) (y+1/4,1/8,-y;-my,mx,-my) (1/8,-y,y+1/4;mx,-my,-my) (y+3/4,3/8,y;-my,-mx,my) (-y+1/4,1/8,y;my,mx,my) (-y+1/2,-y+1/4,7/8;-my,my,-mx) (y,-y+1/4,1/8;my,my,mx) (3/8,-y+1/2,y+1/4;-mx,-my,-my) (1/8,-y+1/2,-y+3/4;mx,-my,my) (5/8,y,y+1/4;mx,my,-my) (y+1/2,-y+1/4,3/8;my,my,-mx) (-y+1/2,-y+3/4,1/8;-my,my,mx) (y+1/4,5/8,y;-my,mx,my) (-y+1/4,3/8,y+1/2;my,-mx,my) (3/8,y+1/2,-y+1/4;-mx,my,my) (-y+3/4,1/8,-y+1/2;my,mx,-my) (y+1/4,3/8,-y+1/2;-my,-mx,-my) (y,y+1/4,5/8;my,-my,mx) (-y+1/2,y+1/4,3/8;-my,-my,-mx) 48f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;-mx,0,0) (0,1/4,-x+1/4;0,0,mx) (0,3/4,x+1/4;0,0,-mx) (1/4,x+3/4,1/2;0,-mx,0) (1/4,-x+1/4,0;0,mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;-mx,0,0) (-x+1/4,1/2,3/4;mx,0,0) (1/2,1/4,x+1/4;0,0,-mx) (1/2,3/4,-x+1/4;0,0,mx) (1/4,-x+3/4,0;0,mx,0) (1/4,x+1/4,1/2;0,-mx,0) (x+1/2,0,1/4;mx,0,0) (x+1/4,1/2,1/4;-mx,0,0) (3/4,-x,0;0,-mx,0) (0,3/4,-x;0,0,-mx) (0,1/4,x+1/2;0,0,mx) (3/4,x,1/2;0,mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/4,x+1/4,-x+3/4;mx,-mx,mx) (-x+3/4,-x+1/4,x+1/4;mx,mx,-mx) (x+1/4,-x+3/4,-x+1/4;-mx,mx,mx) (-x,x,x+1/2;-mx,mx,mx) (x+1/2,-x,x;mx,-mx,mx) (x,x+1/2,-x;mx,mx,-mx) (x+1/4,x+1/4,x+1/4;-mx,-mx,-mx) 24d (3/8,0,1/4;mx,0,0) (5/8,0,3/4;-mx,0,0) (0,1/4,7/8;0,0,mx) (0,3/4,5/8;0,0,-mx) (1/4,1/8,1/2;0,-mx,0) (1/4,7/8,0;0,mx,0) (1/8,0,3/4;-mx,0,0) (7/8,0,1/4;mx,0,0) (1/4,3/8,0;0,mx,0) (0,1/4,3/8;0,0,mx) (0,3/4,1/8;0,0,-mx) (1/4,5/8,1/2;0,-mx,0) 24c (1/8,0,1/4;mx,0,0) (3/8,0,3/4;-mx,0,0) (0,1/4,1/8;0,0,mx) (0,3/4,3/8;0,0,-mx) (1/4,7/8,1/2;0,-mx,0) (1/4,1/8,0;0,mx,0) (3/8,1/2,1/4;-mx,0,0) (1/8,1/2,3/4;mx,0,0) (1/2,1/4,3/8;0,0,-mx) (1/2,3/4,1/8;0,0,mx) (1/4,5/8,0;0,mx,0) (1/4,3/8,1/2;0,-mx,0) 16b (1/8,1/8,1/8;mx,mx,mx) (3/8,1/8,7/8;-mx,mx,-mx) (7/8,3/8,1/8;-mx,-mx,mx) (1/8,7/8,3/8;mx,-mx,-mx) (3/8,3/8,3/8;-mx,-mx,-mx) (1/8,3/8,5/8;mx,-mx,mx) (5/8,1/8,3/8;mx,mx,-mx) (3/8,5/8,1/8;-mx,mx,mx) 16a (0,0,0;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/4,1/4,1/4;0,0,0) ---------- OG: 230.4.1650 Ia-3d' UNI: 230.148 Ia-3d' BNS: 230.148 Ia-3d' Operators: (1|0,0,0) (4x|1/4,1/4,3/4)' (4x-1|3/4,1/4,1/4)' (4y|3/4,1/4,1/4)' (4y-1|1/4,3/4,1/4)' (4z|1/4,3/4,1/4)' (4z-1|1/4,1/4,3/4)' (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4)' (2-xy|1/4,1/4,1/4)' (2yz|1/4,3/4,1/4)' (2-yz|1/4,1/4,1/4)' (2xz|1/4,1/4,3/4)' (2-xz|1/4,1/4,1/4)' (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0) (-4x|1/4,1/4,3/4)' (-4x-1|3/4,1/4,1/4)' (-4y|3/4,1/4,1/4)' (-4y-1|1/4,3/4,1/4)' (-4z|1/4,3/4,1/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2) (my|1/2,0,0) (mz|0,1/2,0) (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (myz|1/4,3/4,1/4)' (m-yz|1/4,1/4,1/4)' (mxz|1/4,1/4,3/4)' (m-xz|1/4,1/4,1/4)' (-3xyz|0,0,0) (-3xyz-1|0,0,0) (-3-xyz|1/2,0,0) (-3-xyz-1|0,1/2,0) (-3x-yz|0,1/2,0) (-3x-yz-1|0,0,1/2) (-3xy-z|0,0,1/2) (-3xy-z-1|1/2,0,0) Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;-mx,mz,-my) (x+3/4,z+1/4,-y+1/4;-mx,-mz,my) (z+3/4,y+1/4,-x+1/4;-mz,-my,mx) (-z+1/4,y+3/4,x+1/4;mz,-my,-mx) (-y+1/4,x+3/4,z+1/4;my,-mx,-mz) (y+1/4,-x+1/4,z+3/4;-my,mx,-mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;-my,-mx,mz) (-y+1/4,-x+1/4,-z+1/4;my,mx,mz) (-x+1/4,z+3/4,y+1/4;mx,-mz,-my) (-x+1/4,-z+1/4,-y+1/4;mx,mz,my) (z+1/4,-y+1/4,x+3/4;-mz,my,-mx) (-z+1/4,-y+1/4,-x+1/4;mz,my,mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;mx,my,mz) (-x+1/4,z+1/4,-y+3/4;-mx,mz,-my) (-x+3/4,-z+1/4,y+1/4;-mx,-mz,my) (-z+3/4,-y+1/4,x+1/4;-mz,-my,mx) (z+1/4,-y+3/4,-x+1/4;mz,-my,-mx) (y+1/4,-x+3/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;mx,-my,-mz) (x+1/2,-y,z;-mx,my,-mz) (x,y+1/2,-z;-mx,-my,mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) (x+1/4,-z+3/4,-y+1/4;mx,-mz,-my) (x+1/4,z+1/4,y+1/4;mx,mz,my) (-z+1/4,y+1/4,-x+3/4;-mz,my,-mx) (z+1/4,y+1/4,x+1/4;mz,my,mx) (-z,-x,-y;mz,mx,my) (-y,-z,-x;my,mz,mx) (y+1/2,-z,x;-my,mz,-mx) (z,x+1/2,-y;-mz,-mx,my) (y,z+1/2,-x;-my,-mz,mx) (-z,x,y+1/2;mz,-mx,-my) (-y,z,x+1/2;my,-mz,-mx) (z+1/2,-x,y;-mz,mx,-my) 48g (1/8,y,-y+1/4;mx,my,my) (3/8,y,y+3/4;-mx,my,-my) (7/8,-y+1/2,-y+1/4;-mx,-my,my) (-y,y+1/4,1/8;-my,-my,mx) (y,y+3/4,3/8;my,-my,-mx) (-y+1/4,7/8,-y+1/2;my,-mx,-my) (y+1/4,1/8,-y;-my,mx,-my) (1/8,-y,y+1/4;mx,-my,-my) (y+3/4,3/8,y;-my,-mx,my) (-y+1/4,1/8,y;my,mx,my) (-y+1/2,-y+1/4,7/8;-my,my,-mx) (y,-y+1/4,1/8;my,my,mx) (7/8,-y,y+3/4;mx,my,my) (5/8,-y,-y+1/4;-mx,my,-my) (1/8,y+1/2,y+3/4;-mx,-my,my) (y,-y+3/4,7/8;-my,-my,mx) (-y,-y+1/4,5/8;my,-my,-mx) (y+3/4,1/8,y+1/2;my,-mx,-my) (-y+3/4,7/8,y;-my,mx,-my) (7/8,y,-y+3/4;mx,-my,-my) (-y+1/4,5/8,-y;-my,-mx,my) (y+3/4,7/8,-y;my,mx,my) (y+1/2,y+3/4,1/8;-my,my,-mx) (-y,y+3/4,7/8;my,my,mx) 48f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;-mx,0,0) (0,1/4,-x+1/4;0,0,mx) (0,3/4,x+1/4;0,0,-mx) (1/4,x+3/4,1/2;0,-mx,0) (1/4,-x+1/4,0;0,mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;mx,0,0) (-x+1/4,1/2,3/4;-mx,0,0) (1/2,1/4,x+1/4;0,0,mx) (1/2,3/4,-x+1/4;0,0,-mx) (1/4,-x+3/4,0;0,-mx,0) (1/4,x+1/4,1/2;0,mx,0) (x+1/2,0,1/4;-mx,0,0) (x+1/4,1/2,1/4;mx,0,0) (3/4,-x,0;0,mx,0) (0,3/4,-x;0,0,mx) (0,1/4,x+1/2;0,0,-mx) (3/4,x,1/2;0,-mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;-mx,mx,-mx) (x+3/4,x+1/4,-x+1/4;-mx,-mx,mx) (-x+1/4,x+3/4,x+1/4;mx,-mx,-mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;mx,mx,mx) (-x,-x,-x;mx,mx,mx) (-x+1/4,x+1/4,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+1/4,x+1/4;-mx,-mx,mx) (x+1/4,-x+3/4,-x+1/4;mx,-mx,-mx) (-x,x,x+1/2;mx,-mx,-mx) (x+1/2,-x,x;-mx,mx,-mx) (x,x+1/2,-x;-mx,-mx,mx) (x+1/4,x+1/4,x+1/4;mx,mx,mx) 24d (3/8,0,1/4;0,0,0) (5/8,0,3/4;0,0,0) (0,1/4,7/8;0,0,0) (0,3/4,5/8;0,0,0) (3/4,5/8,0;0,0,0) (3/4,3/8,1/2;0,0,0) (1/8,0,3/4;0,0,0) (7/8,0,1/4;0,0,0) (1/4,3/8,0;0,0,0) (0,1/4,3/8;0,0,0) (0,3/4,1/8;0,0,0) (1/4,5/8,1/2;0,0,0) 24c (1/8,0,1/4;mx,0,0) (3/8,0,3/4;-mx,0,0) (0,1/4,1/8;0,0,mx) (0,3/4,3/8;0,0,-mx) (1/4,7/8,1/2;0,-mx,0) (1/4,1/8,0;0,mx,0) (7/8,0,3/4;mx,0,0) (5/8,0,1/4;-mx,0,0) (0,3/4,7/8;0,0,mx) (0,1/4,5/8;0,0,-mx) (3/4,1/8,1/2;0,-mx,0) (3/4,7/8,0;0,mx,0) 16b (1/8,1/8,1/8;mx,mx,mx) (3/8,1/8,7/8;-mx,mx,-mx) (7/8,3/8,1/8;-mx,-mx,mx) (1/8,7/8,3/8;mx,-mx,-mx) (7/8,7/8,7/8;mx,mx,mx) (5/8,7/8,1/8;-mx,mx,-mx) (1/8,5/8,7/8;-mx,-mx,mx) (7/8,1/8,5/8;mx,-mx,-mx) 16a (0,0,0;mx,mx,mx) (1/4,1/4,3/4;-mx,mx,-mx) (3/4,1/4,1/4;-mx,-mx,mx) (1/4,3/4,1/4;mx,-mx,-mx) (0,0,1/2;mx,-mx,-mx) (1/2,0,0;-mx,mx,-mx) (0,1/2,0;-mx,-mx,mx) (1/4,1/4,1/4;mx,mx,mx) ---------- OG: 230.5.1651 Ia'-3'd' UNI: 230.149 Ia'-3'd' BNS: 230.149 Ia'-3'd' Operators: (1|0,0,0) (4x|1/4,1/4,3/4) (4x-1|3/4,1/4,1/4) (4y|3/4,1/4,1/4) (4y-1|1/4,3/4,1/4) (4z|1/4,3/4,1/4) (4z-1|1/4,1/4,3/4) (2x|0,0,1/2) (2y|1/2,0,0) (2z|0,1/2,0) (2xy|3/4,1/4,1/4) (2-xy|1/4,1/4,1/4) (2yz|1/4,3/4,1/4) (2-yz|1/4,1/4,1/4) (2xz|1/4,1/4,3/4) (2-xz|1/4,1/4,1/4) (3xyz|0,0,0) (3xyz-1|0,0,0) (3-xyz|1/2,0,0) (3-xyz-1|0,1/2,0) (3x-yz|0,1/2,0) (3x-yz-1|0,0,1/2) (3xy-z|0,0,1/2) (3xy-z-1|1/2,0,0) (-1|0,0,0)' (-4x|1/4,1/4,3/4)' (-4x-1|3/4,1/4,1/4)' (-4y|3/4,1/4,1/4)' (-4y-1|1/4,3/4,1/4)' (-4z|1/4,3/4,1/4)' (-4z-1|1/4,1/4,3/4)' (mx|0,0,1/2)' (my|1/2,0,0)' (mz|0,1/2,0)' (mxy|3/4,1/4,1/4)' (m-xy|1/4,1/4,1/4)' (myz|1/4,3/4,1/4)' (m-yz|1/4,1/4,1/4)' (mxz|1/4,1/4,3/4)' (m-xz|1/4,1/4,1/4)' (-3xyz|0,0,0)' (-3xyz-1|0,0,0)' (-3-xyz|1/2,0,0)' (-3-xyz-1|0,1/2,0)' (-3x-yz|0,1/2,0)' (-3x-yz-1|0,0,1/2)' (-3xy-z|0,0,1/2)' (-3xy-z-1|1/2,0,0)' Wyckoff positions: (0,0,0)+ (1,0,0)+ (0,1,0)+ (0,0,1)+ (1/2,1/2,1/2)+ 96h (x,y,z;mx,my,mz) (x+1/4,-z+1/4,y+3/4;mx,-mz,my) (x+3/4,z+1/4,-y+1/4;mx,mz,-my) (z+3/4,y+1/4,-x+1/4;mz,my,-mx) (-z+1/4,y+3/4,x+1/4;-mz,my,mx) (-y+1/4,x+3/4,z+1/4;-my,mx,mz) (y+1/4,-x+1/4,z+3/4;my,-mx,mz) (x,-y,-z+1/2;mx,-my,-mz) (-x+1/2,y,-z;-mx,my,-mz) (-x,-y+1/2,z;-mx,-my,mz) (y+3/4,x+1/4,-z+1/4;my,mx,-mz) (-y+1/4,-x+1/4,-z+1/4;-my,-mx,-mz) (-x+1/4,z+3/4,y+1/4;-mx,mz,my) (-x+1/4,-z+1/4,-y+1/4;-mx,-mz,-my) (z+1/4,-y+1/4,x+3/4;mz,-my,mx) (-z+1/4,-y+1/4,-x+1/4;-mz,-my,-mx) (z,x,y;mz,mx,my) (y,z,x;my,mz,mx) (-y+1/2,z,-x;-my,mz,-mx) (-z,-x+1/2,y;-mz,-mx,my) (-y,-z+1/2,x;-my,-mz,mx) (z,-x,-y+1/2;mz,-mx,-my) (y,-z,-x+1/2;my,-mz,-mx) (-z+1/2,x,-y;-mz,mx,-my) (-x,-y,-z;-mx,-my,-mz) (-x+1/4,z+1/4,-y+3/4;-mx,mz,-my) (-x+3/4,-z+1/4,y+1/4;-mx,-mz,my) (-z+3/4,-y+1/4,x+1/4;-mz,-my,mx) (z+1/4,-y+3/4,-x+1/4;mz,-my,-mx) (y+1/4,-x+3/4,-z+1/4;my,-mx,-mz) (-y+1/4,x+1/4,-z+3/4;-my,mx,-mz) (-x,y,z+1/2;-mx,my,mz) (x+1/2,-y,z;mx,-my,mz) (x,y+1/2,-z;mx,my,-mz) (-y+3/4,-x+1/4,z+1/4;-my,-mx,mz) (y+1/4,x+1/4,z+1/4;my,mx,mz) (x+1/4,-z+3/4,-y+1/4;mx,-mz,-my) (x+1/4,z+1/4,y+1/4;mx,mz,my) (-z+1/4,y+1/4,-x+3/4;-mz,my,-mx) (z+1/4,y+1/4,x+1/4;mz,my,mx) (-z,-x,-y;-mz,-mx,-my) (-y,-z,-x;-my,-mz,-mx) (y+1/2,-z,x;my,-mz,mx) (z,x+1/2,-y;mz,mx,-my) (y,z+1/2,-x;my,mz,-mx) (-z,x,y+1/2;-mz,mx,my) (-y,z,x+1/2;-my,mz,mx) (z+1/2,-x,y;mz,-mx,my) 48g (1/8,y,-y+1/4;0,my,-my) (3/8,y,y+3/4;0,my,my) (7/8,-y+1/2,-y+1/4;0,-my,-my) (-y,y+1/4,1/8;-my,my,0) (y,y+3/4,3/8;my,my,0) (-y+1/4,7/8,-y+1/2;-my,0,-my) (y+1/4,1/8,-y;my,0,-my) (1/8,-y,y+1/4;0,-my,my) (y+3/4,3/8,y;my,0,my) (-y+1/4,1/8,y;-my,0,my) (-y+1/2,-y+1/4,7/8;-my,-my,0) (y,-y+1/4,1/8;my,-my,0) (7/8,-y,y+3/4;0,-my,my) (5/8,-y,-y+1/4;0,-my,-my) (1/8,y+1/2,y+3/4;0,my,my) (y,-y+3/4,7/8;my,-my,0) (-y,-y+1/4,5/8;-my,-my,0) (y+3/4,1/8,y+1/2;my,0,my) (-y+3/4,7/8,y;-my,0,my) (7/8,y,-y+3/4;0,my,-my) (-y+1/4,5/8,-y;-my,0,-my) (y+3/4,7/8,-y;my,0,-my) (y+1/2,y+3/4,1/8;my,my,0) (-y,y+3/4,7/8;-my,my,0) 48f (x,0,1/4;mx,0,0) (x+1/4,0,3/4;mx,0,0) (0,1/4,-x+1/4;0,0,-mx) (0,3/4,x+1/4;0,0,mx) (1/4,x+3/4,1/2;0,mx,0) (1/4,-x+1/4,0;0,-mx,0) (-x+1/2,0,3/4;-mx,0,0) (-x+1/4,0,1/4;-mx,0,0) (1/4,x,0;0,mx,0) (0,1/4,x;0,0,mx) (0,3/4,-x+1/2;0,0,-mx) (1/4,-x,1/2;0,-mx,0) (-x,0,3/4;-mx,0,0) (-x+1/4,1/2,3/4;-mx,0,0) (1/2,1/4,x+1/4;0,0,mx) (1/2,3/4,-x+1/4;0,0,-mx) (1/4,-x+3/4,0;0,-mx,0) (1/4,x+1/4,1/2;0,mx,0) (x+1/2,0,1/4;mx,0,0) (x+1/4,1/2,1/4;mx,0,0) (3/4,-x,0;0,-mx,0) (0,3/4,-x;0,0,-mx) (0,1/4,x+1/2;0,0,mx) (3/4,x,1/2;0,mx,0) 32e (x,x,x;mx,mx,mx) (x+1/4,-x+1/4,x+3/4;mx,-mx,mx) (x+3/4,x+1/4,-x+1/4;mx,mx,-mx) (-x+1/4,x+3/4,x+1/4;-mx,mx,mx) (x,-x,-x+1/2;mx,-mx,-mx) (-x+1/2,x,-x;-mx,mx,-mx) (-x,-x+1/2,x;-mx,-mx,mx) (-x+1/4,-x+1/4,-x+1/4;-mx,-mx,-mx) (-x,-x,-x;-mx,-mx,-mx) (-x+1/4,x+1/4,-x+3/4;-mx,mx,-mx) (-x+3/4,-x+1/4,x+1/4;-mx,-mx,mx) (x+1/4,-x+3/4,-x+1/4;mx,-mx,-mx) (-x,x,x+1/2;-mx,mx,mx) (x+1/2,-x,x;mx,-mx,mx) (x,x+1/2,-x;mx,mx,-mx) (x+1/4,x+1/4,x+1/4;mx,mx,mx) 24d (3/8,0,1/4;0,0,0) (5/8,0,3/4;0,0,0) (0,1/4,7/8;0,0,0) (0,3/4,5/8;0,0,0) (1/4,1/8,1/2;0,0,0) (1/4,7/8,0;0,0,0) (1/8,0,3/4;0,0,0) (7/8,0,1/4;0,0,0) (1/4,3/8,0;0,0,0) (0,1/4,3/8;0,0,0) (0,3/4,1/8;0,0,0) (1/4,5/8,1/2;0,0,0) 24c (1/8,0,1/4;0,0,0) (3/8,0,3/4;0,0,0) (0,1/4,1/8;0,0,0) (0,3/4,3/8;0,0,0) (1/4,7/8,1/2;0,0,0) (1/4,1/8,0;0,0,0) (7/8,0,3/4;0,0,0) (5/8,0,1/4;0,0,0) (0,3/4,7/8;0,0,0) (0,1/4,5/8;0,0,0) (3/4,1/8,1/2;0,0,0) (3/4,7/8,0;0,0,0) 16b (1/8,1/8,1/8;0,0,0) (3/8,1/8,7/8;0,0,0) (7/8,3/8,1/8;0,0,0) (1/8,7/8,3/8;0,0,0) (7/8,7/8,7/8;0,0,0) (5/8,7/8,1/8;0,0,0) (1/8,5/8,7/8;0,0,0) (7/8,1/8,5/8;0,0,0) 16a (0,0,0;0,0,0) (1/4,1/4,3/4;0,0,0) (3/4,1/4,1/4;0,0,0) (1/4,3/4,1/4;0,0,0) (0,0,1/2;0,0,0) (1/2,0,0;0,0,0) (0,1/2,0;0,0,0) (1/4,1/4,1/4;0,0,0) ----------