# generated using pymatgen data_BiW48S95 _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 BiW48S95 _chemical_formula_sum 'Bi1 W48 S95' _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 0.083333 0.791712 0.338975 1 W W2 1 0.000669 0.750337 0.502010 1 W W3 1 0.083333 0.874400 0.502002 1 W W4 1 -0.000091 0.500105 0.500483 1 W W5 1 0.083333 0.625738 0.501140 1 W W6 1 0.165998 0.750337 0.502010 1 W W7 1 0.249331 0.874662 0.501113 1 W W8 1 0.000007 0.250215 0.500005 1 W W9 1 0.083333 0.375263 0.500170 1 W W10 1 0.166758 0.500105 0.500483 1 W W11 1 0.250205 0.624991 0.500604 1 W W12 1 0.333486 0.749832 0.500587 1 W W13 1 0.416741 0.874838 0.500434 1 W W14 1 0.000073 0.000228 0.500622 1 W W15 1 0.083333 0.125401 0.500257 1 W W16 1 0.166660 0.250215 0.500005 1 W W17 1 0.249956 0.375138 0.500085 1 W W18 1 0.333416 0.500015 0.500180 1 W W19 1 0.416935 0.624812 0.500258 1 W W20 1 0.500044 0.749834 0.500208 1 W W21 1 0.583333 0.874885 0.500252 1 W W22 1 0.166594 0.000228 0.500622 1 W W23 1 0.249928 0.125144 0.500165 1 W W24 1 0.333297 0.250106 0.499914 1 W W25 1 0.416695 0.374966 0.499914 1 W W26 1 0.500016 0.499893 0.499996 1 W W27 1 0.583333 0.624878 0.500073 1 W W28 1 0.666623 0.749834 0.500208 1 W W29 1 0.749925 0.874838 0.500434 1 W W30 1 0.333266 0.000050 0.500454 1 W W31 1 0.416627 0.124927 0.500044 1 W W32 1 0.499943 0.249914 0.499820 1 W W33 1 0.583333 0.374933 0.499856 1 W W34 1 0.666651 0.499893 0.499996 1 W W35 1 0.749732 0.624812 0.500258 1 W W36 1 0.833180 0.749832 0.500587 1 W W37 1 0.917335 0.874662 0.501113 1 W W38 1 0.499920 -0.000155 0.500176 1 W W39 1 0.583333 0.124880 0.499905 1 W W40 1 0.666723 0.249914 0.499820 1 W W41 1 0.749972 0.374966 0.499914 1 W W42 1 0.833251 0.500015 0.500180 1 W W43 1 0.916462 0.624991 0.500604 1 W W44 1 0.666747 -0.000155 0.500176 1 W W45 1 0.750040 0.124927 0.500044 1 W W46 1 0.833370 0.250106 0.499914 1 W W47 1 0.916711 0.375138 0.500085 1 W W48 1 0.833401 0.000050 0.500454 1 W W49 1 0.916739 0.125144 0.500165 1 S S50 1 0.166648 0.916277 0.390462 1 S S51 1 0.083333 0.542168 0.390232 1 S S52 1 0.166245 0.666932 0.390443 1 S S53 1 0.249562 0.791856 0.390453 1 S S54 1 0.332941 0.916423 0.390215 1 S S55 1 0.083333 0.291969 0.389271 1 S S56 1 0.166615 0.416921 0.389428 1 S S57 1 0.249975 0.541705 0.389664 1 S S58 1 0.333539 0.666547 0.389784 1 S S59 1 0.416697 0.791607 0.389635 1 S S60 1 0.499936 0.916522 0.389474 1 S S61 1 0.083333 0.041950 0.389838 1 S S62 1 0.166655 0.166857 0.389315 1 S S63 1 0.249962 0.291839 0.389180 1 S S64 1 0.333308 0.416732 0.389293 1 S S65 1 0.416708 0.541599 0.389299 1 S S66 1 0.500057 0.666566 0.389316 1 S S67 1 0.583333 0.791555 0.389434 1 S S68 1 0.666731 0.916522 0.389474 1 S S69 1 0.250000 0.041692 0.389681 1 S S70 1 0.333276 0.166673 0.389300 1 S S71 1 0.416623 0.291660 0.389070 1 S S72 1 0.499996 0.416611 0.389107 1 S S73 1 0.583333 0.541575 0.389217 1 S S74 1 0.666610 0.666566 0.389316 1 S S75 1 0.749970 0.791607 0.389635 1 S S76 1 0.833726 0.916423 0.390215 1 S S77 1 0.416571 0.041497 0.389440 1 S S78 1 0.499944 0.166512 0.389143 1 S S79 1 0.583333 0.291565 0.389098 1 S S80 1 0.666671 0.416611 0.389107 1 S S81 1 0.749958 0.541599 0.389299 1 S S82 1 0.833128 0.666547 0.389784 1 S S83 1 0.917105 0.791856 0.390453 1 S S84 1 0.000018 0.916277 0.390462 1 S S85 1 0.583333 0.041409 0.389343 1 S S86 1 0.666723 0.166512 0.389143 1 S S87 1 0.750044 0.291660 0.389070 1 S S88 1 0.833359 0.416732 0.389293 1 S S89 1 0.916692 0.541705 0.389664 1 S S90 1 0.000422 0.666932 0.390443 1 S S91 1 0.750096 0.041497 0.389440 1 S S92 1 0.833390 0.166673 0.389300 1 S S93 1 0.916705 0.291839 0.389180 1 S S94 1 0.000052 0.416921 0.389428 1 S S95 1 0.916667 0.041692 0.389681 1 S S96 1 0.000012 0.166857 0.389315 1 S S97 1 0.083333 0.791707 0.611669 1 S S98 1 0.166250 0.916986 0.612082 1 S S99 1 0.083333 0.541835 0.611168 1 S S100 1 0.167173 0.666880 0.612103 1 S S101 1 0.250080 0.791196 0.612072 1 S S102 1 0.333277 0.916585 0.611099 1 S S103 1 0.083333 0.291862 0.610798 1 S S104 1 0.166715 0.416731 0.611076 1 S S105 1 0.250198 0.541591 0.611237 1 S S106 1 0.333717 0.666466 0.611172 1 S S107 1 0.416872 0.791519 0.611205 1 S S108 1 0.500055 0.916581 0.611098 1 S S109 1 0.083333 0.042131 0.611166 1 S S110 1 0.166687 0.166993 0.610970 1 S S111 1 0.250018 0.291782 0.610775 1 S S112 1 0.333420 0.416615 0.610808 1 S S113 1 0.416841 0.541506 0.610999 1 S S114 1 0.500143 0.666505 0.611028 1 S S115 1 0.583333 0.791522 0.610995 1 S S116 1 0.666612 0.916581 0.611098 1 S S117 1 0.250021 0.041918 0.611200 1 S S118 1 0.333359 0.166800 0.610765 1 S S119 1 0.416688 0.291640 0.610664 1 S S120 1 0.500042 0.416539 0.610708 1 S S121 1 0.583333 0.541507 0.610796 1 S S122 1 0.666524 0.666505 0.611028 1 S S123 1 0.749795 0.791519 0.611205 1 S S124 1 0.833390 0.916585 0.611099 1 S S125 1 0.416697 0.041690 0.611013 1 S S126 1 0.500040 0.166612 0.610662 1 S S127 1 0.583333 0.291550 0.610540 1 S S128 1 0.666625 0.416539 0.610708 1 S S129 1 0.749826 0.541506 0.611000 1 S S130 1 0.832950 0.666466 0.611172 1 S S131 1 0.916587 0.791196 0.612072 1 S S132 1 0.000417 0.916986 0.612082 1 S S133 1 0.583333 0.041594 0.610773 1 S S134 1 0.666627 0.166612 0.610662 1 S S135 1 0.749979 0.291640 0.610664 1 S S136 1 0.833247 0.416615 0.610808 1 S S137 1 0.916468 0.541591 0.611237 1 S S138 1 -0.000507 0.666880 0.612103 1 S S139 1 0.749969 0.041690 0.611013 1 S S140 1 0.833307 0.166800 0.610765 1 S S141 1 0.916649 0.291782 0.610775 1 S S142 1 -0.000048 0.416731 0.611076 1 S S143 1 0.916646 0.041918 0.611200 1 S S144 1 -0.000020 0.166993 0.610970 1