data_image0 _chemical_formula_structural Ag4Ta4S12 _chemical_formula_sum "Ag4 Ta4 S12" _cell_length_a 6.902190421610374 _cell_length_b 7.069952567898104 _cell_length_c 11.036549728068506 _cell_angle_alpha 89.99999564074496 _cell_angle_beta 89.99999863129891 _cell_angle_gamma 61.16999245407714 _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 0.3372811112371248 0.7557725946298007 0.126877898212542 1.0000 Ag Ag2 1.0 0.8372775095059071 0.25576145420915775 0.8731129752870858 1.0000 Ag Ag3 1.0 0.20895287639515403 0.6885587234175841 0.375552800916643 1.0000 Ag Ag4 1.0 0.7089456519723768 0.18856372853410472 0.6244396192907335 1.0000 Ta Ta1 1.0 0.2849385912717114 0.14427652009425118 0.5887096867665857 1.0000 Ta Ta2 1.0 0.7849450322443526 0.6442876605148942 0.41130066777070945 1.0000 Ta Ta3 1.0 0.2654335675998703 0.2973200668683567 0.9115086526860051 1.0000 Ta Ta4 1.0 0.7654300490373304 0.7973150617518361 0.08849697594849114 1.0000 S S1 1.0 0.5216618476933917 0.8996454762949609 0.26181442843812053 1.0000 S S2 1.0 0.021667958440432573 0.39965048141148163 0.7381957550695429 1.0000 S S3 1.0 0.627172613362945 0.6586894796648575 0.958749044154084 1.0000 S S4 1.0 0.12717630539115543 0.1586783392442145 0.04125884435267727 1.0000 S S5 1.0 0.1259667938297021 0.6612889111482028 0.9753852714206958 1.0000 S S6 1.0 0.6259518525792942 0.16129391626472353 0.024621473089141522 1.0000 S S7 1.0 0.5298320270994834 0.04281796455796264 0.7615892682314486 1.0000 S S8 1.0 0.02981984437615605 0.542812959441442 0.23840571761513374 1.0000 S S9 1.0 0.9211563343246489 0.7824127309498 0.5427328561022347 1.0000 S S10 1.0 0.42116516388975167 0.2824015905291571 0.457261622244179 1.0000 S S11 1.0 0.9239152699205321 0.28049641714384804 0.4754360801608535 1.0000 S S12 1.0 0.4239098864976979 0.780507557564491 0.5245560948925557 1.0000