# 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 0.791607 0.343495 1 W W2 1 -0.001390 0.749281 0.496840 1 W W3 1 0.083333 0.876376 0.496742 1 W W4 1 -0.000001 0.499498 0.500363 1 W W5 1 0.083333 0.624230 0.498441 1 W W6 1 0.168057 0.749281 0.496840 1 W W7 1 0.250675 0.875366 0.498659 1 W W8 1 -0.000026 0.249837 0.500910 1 W W9 1 0.083333 0.374615 0.500860 1 W W10 1 0.166668 0.499498 0.500363 1 W W11 1 0.250224 0.624463 0.500241 1 W W12 1 0.333920 0.750117 0.500549 1 W W13 1 0.416997 0.875299 0.500742 1 W W14 1 -0.000389 0.000381 0.500130 1 W W15 1 0.083334 0.124997 0.500767 1 W W16 1 0.166693 0.249837 0.500909 1 W W17 1 0.250039 0.374739 0.500764 1 W W18 1 0.333390 0.499740 0.500713 1 W W19 1 0.416776 0.625004 0.501000 1 W W20 1 0.500158 0.750221 0.501298 1 W W21 1 0.583333 0.875265 0.501206 1 W W22 1 0.167055 0.000381 0.500130 1 W W23 1 0.250227 0.125083 0.500680 1 W W24 1 0.333423 0.249961 0.500673 1 W W25 1 0.416710 0.374936 0.500667 1 W W26 1 0.500031 0.500018 0.500833 1 W W27 1 0.583333 0.625087 0.501198 1 W W28 1 0.666509 0.750221 0.501297 1 W W29 1 0.749670 0.875299 0.500742 1 W W30 1 0.333722 0.000233 0.500400 1 W W31 1 0.416819 0.125135 0.500616 1 W W32 1 0.500041 0.250080 0.500620 1 W W33 1 0.583333 0.375047 0.500677 1 W W34 1 0.666636 0.500018 0.500833 1 W W35 1 0.749890 0.625004 0.501000 1 W W36 1 0.832746 0.750117 0.500549 1 W W37 1 0.915991 0.875366 0.498659 1 W W38 1 0.500171 0.000261 0.500760 1 W W39 1 0.583333 0.125181 0.500578 1 W W40 1 0.666626 0.250080 0.500620 1 W W41 1 0.749957 0.374936 0.500667 1 W W42 1 0.833276 0.499740 0.500713 1 W W43 1 0.916442 0.624464 0.500241 1 W W44 1 0.666496 0.000261 0.500760 1 W W45 1 0.749848 0.125135 0.500616 1 W W46 1 0.833243 0.249961 0.500673 1 W W47 1 0.916627 0.374739 0.500764 1 W W48 1 0.832945 0.000233 0.500400 1 W W49 1 0.916440 0.125083 0.500680 1 S S50 1 0.167651 0.917670 0.387787 1 S S51 1 0.083333 0.540515 0.388940 1 S S52 1 0.167291 0.665403 0.387800 1 S S53 1 0.251609 0.791830 0.387992 1 S S54 1 0.334386 0.917150 0.389163 1 S S55 1 0.083333 0.291366 0.390135 1 S S56 1 0.166660 0.416113 0.389934 1 S S57 1 0.250162 0.541106 0.389705 1 S S58 1 0.333755 0.666558 0.390012 1 S S59 1 0.417248 0.791863 0.390146 1 S S60 1 0.500324 0.916875 0.390144 1 S S61 1 0.083333 0.041973 0.389705 1 S S62 1 0.166710 0.166642 0.390105 1 S S63 1 0.249961 0.291473 0.390034 1 S S64 1 0.333345 0.416461 0.389954 1 S S65 1 0.416740 0.541695 0.390190 1 S S66 1 0.500143 0.666855 0.390533 1 S S67 1 0.583333 0.791874 0.390558 1 S S68 1 0.666343 0.916875 0.390144 1 S S69 1 0.250450 0.041991 0.389632 1 S S70 1 0.333471 0.166729 0.389855 1 S S71 1 0.416693 0.291672 0.389866 1 S S72 1 0.500021 0.416762 0.389989 1 S S73 1 0.583333 0.541849 0.390223 1 S S74 1 0.666524 0.666855 0.390533 1 S S75 1 0.749418 0.791864 0.390146 1 S S76 1 0.832281 0.917150 0.389163 1 S S77 1 0.417024 0.041887 0.389794 1 S S78 1 0.500043 0.166820 0.389808 1 S S79 1 0.583333 0.291776 0.389872 1 S S80 1 0.666646 0.416762 0.389989 1 S S81 1 0.749927 0.541695 0.390190 1 S S82 1 0.832911 0.666558 0.390012 1 S S83 1 0.915058 0.791830 0.387992 1 S S84 1 -0.000984 0.917670 0.387787 1 S S85 1 0.583333 0.041867 0.389834 1 S S86 1 0.666624 0.166820 0.389808 1 S S87 1 0.749974 0.291672 0.389866 1 S S88 1 0.833322 0.416461 0.389954 1 S S89 1 0.916505 0.541106 0.389705 1 S S90 1 -0.000624 0.665403 0.387800 1 S S91 1 0.749643 0.041887 0.389794 1 S S92 1 0.833196 0.166729 0.389855 1 S S93 1 0.916705 0.291473 0.390034 1 S S94 1 0.000007 0.416113 0.389934 1 S S95 1 0.916217 0.041991 0.389633 1 S S96 1 -0.000042 0.166642 0.390105 1 S S97 1 0.083333 0.791659 0.603016 1 S S98 1 0.166879 0.916366 0.609147 1 S S99 1 0.083333 0.541718 0.610546 1 S S100 1 0.166165 0.666536 0.609117 1 S S101 1 0.249723 0.792062 0.609317 1 S S102 1 0.333097 0.916721 0.610813 1 S S103 1 0.083333 0.291409 0.611728 1 S S104 1 0.166668 0.416448 0.611450 1 S S105 1 0.249876 0.541428 0.611185 1 S S106 1 0.333116 0.666685 0.611213 1 S S107 1 0.416631 0.791952 0.611687 1 S S108 1 0.499986 0.917012 0.611753 1 S S109 1 0.083333 0.041431 0.610958 1 S S110 1 0.166748 0.166479 0.611554 1 S S111 1 0.250081 0.291493 0.611546 1 S S112 1 0.333366 0.416482 0.611469 1 S S113 1 0.416614 0.541592 0.611562 1 S S114 1 0.499960 0.666748 0.611920 1 S S115 1 0.583334 0.791944 0.612160 1 S S116 1 0.666680 0.917012 0.611753 1 S S117 1 0.250183 0.041636 0.611184 1 S S118 1 0.333496 0.166696 0.611449 1 S S119 1 0.416713 0.291651 0.611408 1 S S120 1 0.499996 0.416652 0.611438 1 S S121 1 0.583333 0.541629 0.611686 1 S S122 1 0.666707 0.666749 0.611920 1 S S123 1 0.750035 0.791952 0.611687 1 S S124 1 0.833570 0.916721 0.610813 1 S S125 1 0.416767 0.041818 0.611401 1 S S126 1 0.500059 0.166788 0.611364 1 S S127 1 0.583333 0.291728 0.611379 1 S S128 1 0.666671 0.416652 0.611438 1 S S129 1 0.750053 0.541592 0.611562 1 S S130 1 0.833551 0.666685 0.611213 1 S S131 1 0.916943 0.792062 0.609317 1 S S132 1 -0.000213 0.916366 0.609147 1 S S133 1 0.583333 0.041980 0.611541 1 S S134 1 0.666607 0.166788 0.611364 1 S S135 1 0.749953 0.291651 0.611408 1 S S136 1 0.833301 0.416482 0.611469 1 S S137 1 0.916790 0.541428 0.611185 1 S S138 1 0.000502 0.666536 0.609117 1 S S139 1 0.749900 0.041818 0.611401 1 S S140 1 0.833171 0.166696 0.611449 1 S S141 1 0.916586 0.291493 0.611546 1 S S142 1 -0.000002 0.416448 0.611450 1 S S143 1 0.916484 0.041636 0.611184 1 S S144 1 -0.000081 0.166479 0.611554 1