data_image0 _chemical_formula_structural Ta4Ag4S12 _chemical_formula_sum "Ta4 Ag4 S12" _cell_length_a 6.082881000749974 _cell_length_b 13.149708000906218 _cell_length_c 4.797841000645707 _cell_angle_alpha 89.99982635258577 _cell_angle_beta 89.99987148982443 _cell_angle_gamma 89.99903462575821 _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 0.6062077144547321 0.2500008313878837 0.10726853990643573 1.0000 Ta Ta2 1.0 0.10619624348338566 0.2500027340114714 0.3927269366982693 1.0000 Ta Ta3 1.0 0.3938014917687633 0.7500016021264614 0.8927195798883831 1.0000 Ta Ta4 1.0 0.8937965230382096 0.7499996995044397 0.6072820256951119 1.0000 Ag Ag1 1.0 0.500006822423897 1.5209046185529024e-06 0.49999906217181744 1.0000 Ag Ag2 1.0 0.9999977806709724 0.5000034982183551 0.9999949978460543 1.0000 Ag Ag3 1.0 0.5000046031286259 0.4999974143913716 0.4999940597769471 1.0000 Ag Ag4 1.0 0.0 0.0 0.0 1.0000 S S1 1.0 0.8281893698370952 0.3865258282903401 0.33837829431732624 1.0000 S S2 1.0 0.3281982859533141 0.11347469835407942 0.16162014341436082 1.0000 S S3 1.0 0.17180218478276124 0.8865244935104312 0.6616184757671058 1.0000 S S4 1.0 0.6718121322056764 0.6134722421438035 0.8383801684484826 1.0000 S S5 1.0 0.17180339668449998 0.6134766052255709 0.6616306680760551 1.0000 S S6 1.0 0.6717944805682812 0.8865277351618317 0.8383888189790206 1.0000 S S7 1.0 0.8282070214744904 0.1134703352723119 0.33836964378678835 1.0000 S S8 1.0 0.32819707389446706 0.3865301912595903 0.1616287940545416 1.0000 S S9 1.0 0.9657368203396651 0.2500019484959585 0.8637361896474732 1.0000 S S10 1.0 0.46574482466914624 0.2499989767893069 0.6362555373716764 1.0000 S S11 1.0 0.034255946305282 0.7500004851309039 0.13625193003770272 1.0000 S S12 1.0 0.5342643814309973 0.7500034566140867 0.3637534251313479 1.0000