# 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 0.749865 0.500000 1 W W2 1 0.087659 0.879398 0.500000 1 W W3 1 0.000000 0.496090 0.499999 1 W W4 1 0.085538 0.619280 0.499998 1 W W5 1 0.173051 0.751080 0.499997 1 W W6 1 0.253372 0.876897 0.499998 1 W W7 1 0.000000 0.248893 0.500002 1 W W8 1 0.082615 0.373787 0.500001 1 W W9 1 0.167003 0.497521 0.499996 1 W W10 1 0.249407 0.625152 0.499993 1 W W11 1 0.335332 0.750990 0.499995 1 W W12 1 0.416961 0.876135 0.499999 1 W W13 1 0.000000 -0.000615 0.500002 1 W W14 1 0.084855 0.124962 0.500002 1 W W15 1 0.167383 0.248499 0.500002 1 W W16 1 0.251604 0.374372 0.500000 1 W W17 1 0.333094 0.499084 0.499997 1 W W18 1 0.417262 0.625522 0.499996 1 W W19 1 0.500000 0.749844 0.499999 1 W W20 1 0.583039 0.876135 0.500002 1 W W21 1 0.168764 0.001354 0.500000 1 W W22 1 0.249882 0.126240 0.500001 1 W W23 1 0.333787 0.250074 0.500002 1 W W24 1 0.414949 0.375417 0.500000 1 W W25 1 0.500000 0.500104 0.499999 1 W W26 1 0.582738 0.625522 0.500000 1 W W27 1 0.664668 0.750990 0.500002 1 W W28 1 0.746628 0.876897 0.500003 1 W W29 1 0.334296 0.000275 0.500000 1 W W30 1 0.418312 0.126879 0.500001 1 W W31 1 0.500000 0.249064 0.500002 1 W W32 1 0.585051 0.375417 0.500001 1 W W33 1 0.666906 0.499084 0.500001 1 W W34 1 0.750593 0.625151 0.500002 1 W W35 1 0.826949 0.751080 0.500001 1 W W36 1 0.912341 0.879398 0.500001 1 W W37 1 0.500000 0.001158 0.500001 1 W W38 1 0.581688 0.126879 0.500001 1 W W39 1 0.666213 0.250074 0.500002 1 W W40 1 0.748396 0.374372 0.500001 1 W W41 1 0.832997 0.497521 0.500002 1 W W42 1 0.914462 0.619280 0.500000 1 W W43 1 0.665704 0.000275 0.500003 1 W W44 1 0.750118 0.126240 0.500002 1 W W45 1 0.832617 0.248499 0.500002 1 W W46 1 0.917385 0.373787 0.500001 1 W W47 1 0.831236 0.001354 0.500003 1 W W48 1 0.915145 0.124962 0.500002 1 S S49 1 0.096511 0.798355 0.382189 1 S S50 1 0.170307 0.919222 0.388560 1 S S51 1 0.083959 0.537337 0.388654 1 S S52 1 0.166091 0.666823 0.390527 1 S S53 1 0.254009 0.793332 0.388597 1 S S54 1 0.335162 0.917923 0.388009 1 S S55 1 0.083683 0.290388 0.389598 1 S S56 1 0.167146 0.414525 0.389412 1 S S57 1 0.249932 0.541286 0.389641 1 S S58 1 0.333437 0.666777 0.389631 1 S S59 1 0.417846 0.792489 0.389105 1 S S60 1 0.500000 0.917831 0.389236 1 S S61 1 0.083627 0.041572 0.389571 1 S S62 1 0.167039 0.166452 0.388017 1 S S63 1 0.250362 0.291074 0.389116 1 S S64 1 0.333159 0.416755 0.387954 1 S S65 1 0.416492 0.541730 0.389726 1 S S66 1 0.500000 0.666785 0.388690 1 S S67 1 0.582153 0.792489 0.389103 1 S S68 1 0.664838 0.917923 0.388007 1 S S69 1 0.251585 0.042971 0.389288 1 S S70 1 0.333873 0.167140 0.389037 1 S S71 1 0.417032 0.291939 0.389349 1 S S72 1 0.500000 0.416295 0.390138 1 S S73 1 0.583507 0.541730 0.389724 1 S S74 1 0.666563 0.666777 0.389627 1 S S75 1 0.745991 0.793332 0.388594 1 S S76 1 0.829693 0.919222 0.388558 1 S S77 1 0.416965 0.043054 0.389544 1 S S78 1 0.500000 0.167535 0.387092 1 S S79 1 0.582968 0.291939 0.389349 1 S S80 1 0.666841 0.416756 0.387953 1 S S81 1 0.750068 0.541286 0.389637 1 S S82 1 0.833910 0.666823 0.390524 1 S S83 1 0.903489 0.798354 0.382188 1 S S84 1 0.000000 0.916170 0.390454 1 S S85 1 0.583035 0.043054 0.389543 1 S S86 1 0.666127 0.167140 0.389037 1 S S87 1 0.749639 0.291074 0.389116 1 S S88 1 0.832854 0.414524 0.389411 1 S S89 1 0.916041 0.537337 0.388652 1 S S90 1 -0.000000 0.653125 0.382359 1 S S91 1 0.748415 0.042971 0.389287 1 S S92 1 0.832961 0.166452 0.388016 1 S S93 1 0.916317 0.290388 0.389598 1 S S94 1 0.000000 0.414285 0.387855 1 S S95 1 0.916374 0.041572 0.389571 1 S S96 1 0.000000 0.165583 0.389799 1 S S97 1 0.096511 0.798355 0.617812 1 S S98 1 0.170307 0.919222 0.611441 1 S S99 1 0.083959 0.537337 0.611349 1 S S100 1 0.166089 0.666824 0.609477 1 S S101 1 0.254009 0.793333 0.611406 1 S S102 1 0.335162 0.917923 0.611992 1 S S103 1 0.083683 0.290388 0.610400 1 S S104 1 0.167146 0.414524 0.610589 1 S S105 1 0.249932 0.541286 0.610364 1 S S106 1 0.333437 0.666777 0.610375 1 S S107 1 0.417847 0.792489 0.610898 1 S S108 1 0.500000 0.917831 0.610763 1 S S109 1 0.083626 0.041572 0.610427 1 S S110 1 0.167039 0.166452 0.611982 1 S S111 1 0.250362 0.291074 0.610883 1 S S112 1 0.333159 0.416755 0.612047 1 S S113 1 0.416493 0.541730 0.610278 1 S S114 1 0.500000 0.666785 0.611312 1 S S115 1 0.582154 0.792489 0.610896 1 S S116 1 0.664839 0.917923 0.611990 1 S S117 1 0.251585 0.042971 0.610711 1 S S118 1 0.333873 0.167140 0.610961 1 S S119 1 0.417030 0.291939 0.610651 1 S S120 1 0.500000 0.416295 0.609861 1 S S121 1 0.583507 0.541730 0.610276 1 S S122 1 0.666563 0.666777 0.610372 1 S S123 1 0.745991 0.793332 0.611403 1 S S124 1 0.829693 0.919222 0.611440 1 S S125 1 0.416965 0.043054 0.610455 1 S S126 1 0.500000 0.167535 0.612906 1 S S127 1 0.582970 0.291939 0.610650 1 S S128 1 0.666841 0.416756 0.612046 1 S S129 1 0.750068 0.541286 0.610361 1 S S130 1 0.833910 0.666823 0.609475 1 S S131 1 0.903489 0.798355 0.617811 1 S S132 1 -0.000000 0.916170 0.609545 1 S S133 1 0.583035 0.043054 0.610455 1 S S134 1 0.666127 0.167140 0.610961 1 S S135 1 0.749638 0.291074 0.610882 1 S S136 1 0.832854 0.414524 0.610587 1 S S137 1 0.916040 0.537337 0.611348 1 S S138 1 -0.000000 0.653125 0.617641 1 S S139 1 0.748415 0.042971 0.610710 1 S S140 1 0.832961 0.166452 0.611981 1 S S141 1 0.916317 0.290388 0.610400 1 S S142 1 -0.000000 0.414284 0.612145 1 S S143 1 0.916373 0.041572 0.610427 1 S S144 1 -0.000000 0.165583 0.610199 1