# generated using pymatgen data_BiW47S96 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.14455100 _cell_length_b 22.10622300 _cell_length_c 14.20054100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiW47S96 _chemical_formula_sum 'Bi1 W47 S96' _cell_volume 6009.86369232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Bi Bi1 1 0.000000 0.749684 0.499999 1 W W2 1 0.087519 0.879174 0.500002 1 W W3 1 0.000000 0.495804 0.500000 1 W W4 1 0.085572 0.618913 0.500001 1 W W5 1 0.173260 0.750934 0.500002 1 W W6 1 0.253646 0.877088 0.500004 1 W W7 1 -0.000000 0.248817 0.500002 1 W W8 1 0.083201 0.373418 0.500001 1 W W9 1 0.167013 0.497370 0.500001 1 W W10 1 0.249410 0.625090 0.500002 1 W W11 1 0.335329 0.751293 0.500004 1 W W12 1 0.417274 0.876545 0.500004 1 W W13 1 -0.000000 -0.000557 0.500001 1 W W14 1 0.084722 0.124859 0.500001 1 W W15 1 0.168045 0.248814 0.500001 1 W W16 1 0.251312 0.373826 0.500002 1 W W17 1 0.332925 0.498848 0.500002 1 W W18 1 0.417054 0.625856 0.500002 1 W W19 1 0.500000 0.750344 0.500001 1 W W20 1 0.582725 0.876545 0.500001 1 W W21 1 0.168638 0.001276 0.500003 1 W W22 1 0.249880 0.125115 0.500003 1 W W23 1 0.334162 0.249942 0.500002 1 W W24 1 0.415735 0.376579 0.500000 1 W W25 1 0.499999 0.500510 0.499999 1 W W26 1 0.582946 0.625856 0.499999 1 W W27 1 0.664671 0.751292 0.499999 1 W W28 1 0.746353 0.877088 0.499997 1 W W29 1 0.333060 0.000375 0.500002 1 W W30 1 0.423401 0.130519 0.500001 1 W W31 1 0.500000 0.241964 0.500000 1 W W32 1 0.584265 0.376579 0.499999 1 W W33 1 0.667075 0.498848 0.499999 1 W W34 1 0.750590 0.625090 0.499998 1 W W35 1 0.826740 0.750934 0.499998 1 W W36 1 0.912481 0.879174 0.499999 1 W W37 1 0.500000 0.001840 0.500002 1 W W38 1 0.576599 0.130519 0.499999 1 W W39 1 0.665839 0.249943 0.499999 1 W W40 1 0.748689 0.373827 0.499997 1 W W41 1 0.832988 0.497370 0.499998 1 W W42 1 0.914428 0.618914 0.499999 1 W W43 1 0.666940 0.000375 0.500000 1 W W44 1 0.750121 0.125115 0.499997 1 W W45 1 0.831955 0.248814 0.499998 1 W W46 1 0.916799 0.373418 0.499998 1 W W47 1 0.831361 0.001276 0.499998 1 W W48 1 0.915278 0.124859 0.499999 1 S S49 1 0.096589 0.798056 0.382234 1 S S50 1 0.170151 0.919049 0.388618 1 S S51 1 0.083944 0.537008 0.388557 1 S S52 1 0.166087 0.666647 0.390530 1 S S53 1 0.254102 0.793553 0.388581 1 S S54 1 0.335438 0.918230 0.387669 1 S S55 1 0.083902 0.290166 0.389633 1 S S56 1 0.167269 0.414431 0.389212 1 S S57 1 0.249953 0.541144 0.389658 1 S S58 1 0.333310 0.667027 0.389661 1 S S59 1 0.417817 0.792907 0.389035 1 S S60 1 0.500000 0.918651 0.389228 1 S S61 1 0.083631 0.041504 0.389432 1 S S62 1 0.167447 0.166372 0.388331 1 S S63 1 0.251163 0.290728 0.388818 1 S S64 1 0.333062 0.416330 0.387845 1 S S65 1 0.416333 0.542050 0.389774 1 S S66 1 0.500000 0.667113 0.388936 1 S S67 1 0.582184 0.792907 0.389036 1 S S68 1 0.664562 0.918231 0.387672 1 S S69 1 0.251033 0.042726 0.388828 1 S S70 1 0.334528 0.166823 0.389243 1 S S71 1 0.418525 0.291728 0.390283 1 S S72 1 0.500000 0.417101 0.390019 1 S S73 1 0.583667 0.542050 0.389775 1 S S74 1 0.666689 0.667026 0.389662 1 S S75 1 0.745898 0.793553 0.388582 1 S S76 1 0.829849 0.919048 0.388620 1 S S77 1 0.416774 0.044568 0.390645 1 S S78 1 0.500000 0.166856 0.375613 1 S S79 1 0.581475 0.291728 0.390283 1 S S80 1 0.666938 0.416330 0.387847 1 S S81 1 0.750048 0.541144 0.389660 1 S S82 1 0.833914 0.666647 0.390531 1 S S83 1 0.903411 0.798056 0.382234 1 S S84 1 0.000000 0.916157 0.390454 1 S S85 1 0.583226 0.044568 0.390646 1 S S86 1 0.665473 0.166824 0.389244 1 S S87 1 0.748837 0.290728 0.388820 1 S S88 1 0.832731 0.414431 0.389214 1 S S89 1 0.916057 0.537008 0.388558 1 S S90 1 0.000000 0.652733 0.382379 1 S S91 1 0.748966 0.042726 0.388828 1 S S92 1 0.832553 0.166372 0.388333 1 S S93 1 0.916098 0.290166 0.389635 1 S S94 1 0.000000 0.413722 0.388334 1 S S95 1 0.916368 0.041504 0.389433 1 S S96 1 0.000000 0.165549 0.389844 1 S S97 1 0.096588 0.798056 0.617764 1 S S98 1 0.170151 0.919048 0.611377 1 S S99 1 0.083944 0.537008 0.611445 1 S S100 1 0.166087 0.666647 0.609470 1 S S101 1 0.254102 0.793554 0.611418 1 S S102 1 0.335438 0.918230 0.612325 1 S S103 1 0.083902 0.290165 0.610367 1 S S104 1 0.167270 0.414430 0.610789 1 S S105 1 0.249953 0.541145 0.610342 1 S S106 1 0.333310 0.667027 0.610339 1 S S107 1 0.417816 0.792907 0.610963 1 S S108 1 0.500000 0.918651 0.610771 1 S S109 1 0.083631 0.041503 0.610563 1 S S110 1 0.167447 0.166371 0.611665 1 S S111 1 0.251163 0.290727 0.611181 1 S S112 1 0.333062 0.416330 0.612155 1 S S113 1 0.416332 0.542051 0.610227 1 S S114 1 0.499999 0.667114 0.611064 1 S S115 1 0.582183 0.792907 0.610963 1 S S116 1 0.664562 0.918230 0.612328 1 S S117 1 0.251032 0.042726 0.611168 1 S S118 1 0.334527 0.166823 0.610756 1 S S119 1 0.418525 0.291728 0.609717 1 S S120 1 0.500000 0.417101 0.609982 1 S S121 1 0.583667 0.542051 0.610228 1 S S122 1 0.666690 0.667027 0.610339 1 S S123 1 0.745898 0.793554 0.611418 1 S S124 1 0.829848 0.919049 0.611378 1 S S125 1 0.416775 0.044567 0.609353 1 S S126 1 0.500000 0.166856 0.624387 1 S S127 1 0.581475 0.291728 0.609718 1 S S128 1 0.666938 0.416330 0.612157 1 S S129 1 0.750047 0.541144 0.610344 1 S S130 1 0.833914 0.666648 0.609470 1 S S131 1 0.903412 0.798056 0.617763 1 S S132 1 -0.000000 0.916157 0.609543 1 S S133 1 0.583226 0.044567 0.609353 1 S S134 1 0.665473 0.166823 0.610756 1 S S135 1 0.748837 0.290728 0.611183 1 S S136 1 0.832731 0.414431 0.610790 1 S S137 1 0.916057 0.537008 0.611447 1 S S138 1 0.000000 0.652734 0.617621 1 S S139 1 0.748967 0.042726 0.611171 1 S S140 1 0.832553 0.166371 0.611667 1 S S141 1 0.916098 0.290165 0.610368 1 S S142 1 0.000000 0.413722 0.611668 1 S S143 1 0.916369 0.041503 0.610564 1 S S144 1 0.000000 0.165548 0.610155 1