data_image0 _chemical_formula_structural Ag4Bi4S12 _chemical_formula_sum "Ag4 Bi4 S12" _cell_length_a 7.8027290974405235 _cell_length_b 11.407025 _cell_length_c 5.760542384913507 _cell_angle_alpha 90.0 _cell_angle_beta 109.74491659237339 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag1 1.0 0.0 0.36303067627185875 0.0 1.0000 Ag Ag2 1.0 0.0 0.6369671320962301 0.0 1.0000 Ag Ag3 1.0 0.5000052366970583 0.8630295804559032 5.041673110648057e-06 1.0000 Ag Ag4 1.0 0.5000052366970583 0.13696822791218569 5.041673110648057e-06 1.0000 Bi Bi1 1.0 0.8258329220755846 0.0 0.6855689605812899 1.0000 Bi Bi2 1.0 0.17416817540644103 0.0 0.3144170061988983 1.0000 Bi Bi3 1.0 0.3258329827809366 0.49999890418404447 0.685582334909043 1.0000 Bi Bi4 1.0 0.674160868203976 0.49999890418404447 0.3144230613199406 1.0000 S S1 1.0 0.2283724001697677 0.0 0.7647808784024542 1.0000 S S2 1.0 0.7716286973122579 0.0 0.23520508837773377 1.0000 S S3 1.0 0.7283776368668261 0.49999890418404447 0.7647859200755651 1.0000 S S4 1.0 0.27162875801760983 0.49999890418404447 0.2352184627054869 1.0000 S S5 1.0 0.6090424496021581 0.19028624904390057 0.6625881846063965 1.0000 S S6 1.0 0.6090424496021581 0.8097115593241884 0.6625881846063965 1.0000 S S7 1.0 0.3909514013827545 0.8097115593241884 0.3374172116225871 1.0000 S S8 1.0 0.3909514013827545 0.19028624904390057 0.3374172116225871 1.0000 S S9 1.0 0.10903721290509977 0.6902939197555892 0.6625831429332858 1.0000 S S10 1.0 0.10903721290509977 0.3097126551401439 0.6625831429332858 1.0000 S S11 1.0 0.8909566380798128 0.3097126551401439 0.33742225329569775 1.0000 S S12 1.0 0.8909566380798128 0.6902939197555892 0.33742225329569775 1.0000