data_image0 _chemical_formula_structural Ta4Ag4S12 _chemical_formula_sum "Ta4 Ag4 S12" _cell_length_a 6.2432654386752615 _cell_length_b 10.892912 _cell_length_c 6.50112242246037 _cell_angle_alpha 90.0 _cell_angle_beta 110.99906575431241 _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 Ta Ta1 1.0 0.0 0.3201072403779632 0.0 1.0000 Ta Ta2 1.0 0.0 0.6798916579882402 0.0 1.0000 Ta Ta3 1.0 0.5000059727326067 0.8201112797018831 1.2515050101512582e-06 1.0000 Ta Ta4 1.0 0.5000059727326067 0.1798876186643204 1.2515050101512582e-06 1.0000 Ag Ag1 1.0 0.8598946069029945 0.0 0.6322532207981495 1.0000 Ag Ag2 1.0 0.14010453977082815 0.0 0.36773988873656216 1.0000 Ag Ag3 1.0 0.35988863417038774 0.5000040393239199 0.6322519692931393 1.0000 Ag Ag4 1.0 0.6401105125034349 0.5000040393239199 0.36774114024157223 1.0000 S S1 1.0 0.29261805733355795 0.0 0.7846453266172077 1.0000 S S2 1.0 0.7073869594573936 0.0 0.21536425665697417 1.0000 S S3 1.0 0.7926079088359974 0.5000040393239199 0.7846462930693273 1.0000 S S4 1.0 0.20739710795495409 0.5000040393239199 0.21536329020485456 1.0000 S S5 1.0 0.7200394259110712 0.18676364960994818 0.756909318124731 1.0000 S S6 1.0 0.7200394259110712 0.8132352487562553 0.756909318124731 1.0000 S S7 1.0 0.2799597207627516 0.8132352487562553 0.2430837914099807 1.0000 S S8 1.0 0.2799597207627516 0.18676364960994818 0.2430837914099807 1.0000 S S9 1.0 0.2200334531784643 0.6867585086522318 0.7569080666197207 1.0000 S S10 1.0 0.2200334531784643 0.3132403897139718 0.7569080666197207 1.0000 S S11 1.0 0.779949572265191 0.3132403897139718 0.24308475786210035 1.0000 S S12 1.0 0.779949572265191 0.6867585086522318 0.24308475786210035 1.0000