# CIF file created by FINDSYM, version 7.1.3 data_findsym-output _audit_creation_method FINDSYM _cell_length_a 4.5190000000 _cell_length_b 4.5190000000 _cell_length_c 65.1820000000 _cell_angle_alpha 90.0000000000 _cell_angle_beta 90.0000000000 _cell_angle_gamma 120.0000000000 _cell_volume 1152.7708773483 _symmetry_space_group_name_H-M "R -3 2/m (hexagonal axes)" _symmetry_Int_Tables_number 166 _space_group.reference_setting '166:-R 3 2"' _space_group.transform_Pp_abc a,b,c;0,0,0 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x-y,z 3 -x+y,-x,z 4 y,x,-z 5 -x,-x+y,-z 6 x-y,-y,-z 7 -x,-y,-z 8 y,-x+y,-z 9 x-y,x,-z 10 -y,-x,z 11 x,x-y,z 12 -x+y,y,z 13 x+1/3,y+2/3,z+2/3 14 -y+1/3,x-y+2/3,z+2/3 15 -x+y+1/3,-x+2/3,z+2/3 16 y+1/3,x+2/3,-z+2/3 17 -x+1/3,-x+y+2/3,-z+2/3 18 x-y+1/3,-y+2/3,-z+2/3 19 -x+1/3,-y+2/3,-z+2/3 20 y+1/3,-x+y+2/3,-z+2/3 21 x-y+1/3,x+2/3,-z+2/3 22 -y+1/3,-x+2/3,z+2/3 23 x+1/3,x-y+2/3,z+2/3 24 -x+y+1/3,y+2/3,z+2/3 25 x+2/3,y+1/3,z+1/3 26 -y+2/3,x-y+1/3,z+1/3 27 -x+y+2/3,-x+1/3,z+1/3 28 y+2/3,x+1/3,-z+1/3 29 -x+2/3,-x+y+1/3,-z+1/3 30 x-y+2/3,-y+1/3,-z+1/3 31 -x+2/3,-y+1/3,-z+1/3 32 y+2/3,-x+y+1/3,-z+1/3 33 x-y+2/3,x+1/3,-z+1/3 34 -y+2/3,-x+1/3,z+1/3 35 x+2/3,x-y+1/3,z+1/3 36 -x+y+2/3,y+1/3,z+1/3 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_fract_symmform Bi1 Bi 6 c 0.00000 0.00000 0.63659 1.00000 0,0,Dz Bi2 Bi 6 c 0.00000 0.00000 0.09221 1.00000 0,0,Dz Bi3 Bi 6 c 0.00000 0.00000 0.45077 1.00000 0,0,Dz Bi4 Bi 6 c 0.00000 0.00000 0.82070 1.00000 0,0,Dz Te1 Te 6 c 0.00000 0.00000 0.27738 1.00000 0,0,Dz Te2 Te 3 a 0.00000 0.00000 0.00000 1.00000 0,0,0 # end of cif