data_image0 _chemical_formula_structural Ag4Ta4S12 _chemical_formula_sum "Ag4 Ta4 S12" _cell_length_a 6.888309479895121 _cell_length_b 11.198974 _cell_length_c 6.268251707806571 _cell_angle_alpha 90.0 _cell_angle_beta 115.2491891445574 _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 0.3268335117127694 0.0 1.0000 Ag Ag2 1.0 0.0 0.6731598805390565 0.0 1.0000 Ag Ag3 1.0 0.49999452400974953 0.8268346725333946 3.4855680608023387e-06 1.0000 Ag Ag4 1.0 0.49999452400974953 0.17316764910785576 3.4855680608023387e-06 1.0000 Ta Ta1 1.0 0.8900457803870259 0.0 0.6821598155150901 1.0000 Ta Ta2 1.0 0.10995150879178349 0.0 0.3178442807796759 1.0000 Ta Ta3 1.0 0.39005125637727633 0.5000011608206252 0.6821563299470293 1.0000 Ta Ta4 1.0 0.6099607263954204 0.5000011608206252 0.3178482335186696 1.0000 S S1 1.0 0.2533522279607516 0.0 0.7311541818685897 1.0000 S S2 1.0 0.746638601547071 0.0 0.2688322820331069 1.0000 S S3 1.0 0.7533614455643887 0.5000011608206252 0.7311581346075834 1.0000 S S4 1.0 0.2466505372083082 0.5000011608206252 0.26884642885811555 1.0000 S S5 1.0 0.7398110441209167 0.16114869094258097 0.7603706597608366 1.0000 S S6 1.0 0.7398110441209167 0.8388536306986693 0.7603706597608366 1.0000 S S7 1.0 0.26018624505789284 0.8388536306986693 0.23963343653392952 1.0000 S S8 1.0 0.26018624505789284 0.16114869094258097 0.23963343653392952 1.0000 S S9 1.0 0.23980182651727958 0.6611409223737816 0.7603667070218428 1.0000 S S10 1.0 0.23980182651727958 0.3388524698780442 0.7603667070218428 1.0000 S S11 1.0 0.7601954626615298 0.3388524698780442 0.2396373892729232 1.0000 S S12 1.0 0.7601954626615298 0.6611409223737816 0.2396373892729232 1.0000