# 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 0.791611 0.332819 1 W W2 1 0.002832 0.751055 0.505298 1 W W3 1 0.083333 0.872884 0.505242 1 W W4 1 0.000004 0.500479 0.500178 1 W W5 1 0.083333 0.626843 0.502256 1 W W6 1 0.163834 0.751055 0.505298 1 W W7 1 0.248066 0.874090 0.502125 1 W W8 1 0.000092 0.250170 0.499910 1 W W9 1 0.083333 0.375608 0.500098 1 W W10 1 0.166663 0.500479 0.500178 1 W W11 1 0.249936 0.625525 0.499889 1 W W12 1 0.332702 0.749854 0.499855 1 W W13 1 0.416449 0.874612 0.500048 1 W W14 1 0.000446 -0.000307 0.500013 1 W W15 1 0.083333 0.125266 0.499753 1 W W16 1 0.166575 0.250170 0.499910 1 W W17 1 0.249836 0.375325 0.499954 1 W W18 1 0.333143 0.500552 0.499704 1 W W19 1 0.416816 0.625027 0.499712 1 W W20 1 0.499786 0.749855 0.499700 1 W W21 1 0.583333 0.874666 0.499913 1 W W22 1 0.166221 -0.000307 0.500013 1 W W23 1 0.249569 0.124695 0.499715 1 W W24 1 0.333083 0.250031 0.499899 1 W W25 1 0.416511 0.375174 0.499962 1 W W26 1 0.499957 0.500176 0.499938 1 W W27 1 0.583333 0.625218 0.499879 1 W W28 1 0.666880 0.749855 0.499700 1 W W29 1 0.750217 0.874612 0.500048 1 W W30 1 0.332900 -0.000273 0.500152 1 W W31 1 0.416405 0.124698 0.499975 1 W W32 1 0.499820 0.249856 0.499987 1 W W33 1 0.583333 0.375118 0.500041 1 W W34 1 0.666709 0.500176 0.499938 1 W W35 1 0.749851 0.625027 0.499712 1 W W36 1 0.833965 0.749854 0.499855 1 W W37 1 0.918601 0.874090 0.502125 1 W W38 1 0.499637 -0.000540 0.500061 1 W W39 1 0.583333 0.124555 0.499984 1 W W40 1 0.666847 0.249856 0.499987 1 W W41 1 0.750155 0.375174 0.499962 1 W W42 1 0.833524 0.500552 0.499704 1 W W43 1 0.916731 0.625525 0.499889 1 W W44 1 0.667029 -0.000540 0.500061 1 W W45 1 0.750261 0.124698 0.499975 1 W W46 1 0.833583 0.250031 0.499899 1 W W47 1 0.916831 0.375325 0.499954 1 W W48 1 0.833766 -0.000273 0.500152 1 W W49 1 0.917097 0.124695 0.499715 1 S S50 1 0.165746 0.914467 0.391354 1 S S51 1 0.083333 0.543176 0.390507 1 S S52 1 0.164790 0.668370 0.391434 1 S S53 1 0.246988 0.792134 0.391374 1 S S54 1 0.331944 0.915816 0.390482 1 S S55 1 0.083333 0.292138 0.389431 1 S S56 1 0.166515 0.417233 0.389346 1 S S57 1 0.249608 0.542142 0.389103 1 S S58 1 0.333248 0.666777 0.389207 1 S S59 1 0.416243 0.791588 0.389049 1 S S60 1 0.499740 0.916238 0.389184 1 S S61 1 0.083333 0.041641 0.389413 1 S S62 1 0.166607 0.166779 0.389074 1 S S63 1 0.249817 0.291880 0.389300 1 S S64 1 0.333160 0.416965 0.389371 1 S S65 1 0.416623 0.541831 0.389056 1 S S66 1 0.500013 0.666734 0.388916 1 S S67 1 0.583333 0.791511 0.389010 1 S S68 1 0.666926 0.916238 0.389184 1 S S69 1 0.249726 0.041168 0.389176 1 S S70 1 0.333084 0.166482 0.389425 1 S S71 1 0.416493 0.291684 0.389477 1 S S72 1 0.499928 0.416791 0.389461 1 S S73 1 0.583333 0.541843 0.389335 1 S S74 1 0.666654 0.666734 0.388916 1 S S75 1 0.750424 0.791588 0.389049 1 S S76 1 0.834723 0.915816 0.390482 1 S S77 1 0.416341 0.041122 0.389433 1 S S78 1 0.499870 0.166338 0.389550 1 S S79 1 0.583333 0.291592 0.389650 1 S S80 1 0.666738 0.416791 0.389461 1 S S81 1 0.750044 0.541831 0.389056 1 S S82 1 0.833418 0.666777 0.389208 1 S S83 1 0.919679 0.792134 0.391374 1 S S84 1 0.000920 0.914467 0.391354 1 S S85 1 0.583333 0.041020 0.389592 1 S S86 1 0.666796 0.166338 0.389550 1 S S87 1 0.750173 0.291684 0.389477 1 S S88 1 0.833507 0.416965 0.389371 1 S S89 1 0.917059 0.542142 0.389103 1 S S90 1 0.001877 0.668370 0.391434 1 S S91 1 0.750326 0.041122 0.389433 1 S S92 1 0.833583 0.166482 0.389425 1 S S93 1 0.916850 0.291880 0.389300 1 S S94 1 0.000151 0.417233 0.389346 1 S S95 1 0.916941 0.041168 0.389176 1 S S96 1 0.000060 0.166779 0.389074 1 S S97 1 0.083333 0.791827 0.618098 1 S S98 1 0.165832 0.917198 0.613664 1 S S99 1 0.083333 0.542060 0.610982 1 S S100 1 0.167680 0.667104 0.613554 1 S S101 1 0.249888 0.790689 0.613402 1 S S102 1 0.333004 0.916334 0.610795 1 S S103 1 0.083333 0.291973 0.610571 1 S S104 1 0.166723 0.417132 0.610839 1 S S105 1 0.250081 0.542188 0.610853 1 S S106 1 0.333448 0.666731 0.610644 1 S S107 1 0.416319 0.791264 0.610742 1 S S108 1 0.499890 0.916134 0.610839 1 S S109 1 0.083333 0.041861 0.610700 1 S S110 1 0.166546 0.166686 0.610623 1 S S111 1 0.249807 0.291870 0.610556 1 S S112 1 0.333170 0.417110 0.610394 1 S S113 1 0.416569 0.541948 0.610638 1 S S114 1 0.499878 0.666733 0.610716 1 S S115 1 0.583333 0.791366 0.610557 1 S S116 1 0.666777 0.916134 0.610839 1 S S117 1 0.249497 0.041493 0.610851 1 S S118 1 0.332929 0.166467 0.610327 1 S S119 1 0.416448 0.291689 0.610440 1 S S120 1 0.499893 0.416830 0.610531 1 S S121 1 0.583333 0.541878 0.610588 1 S S122 1 0.666789 0.666733 0.610716 1 S S123 1 0.750347 0.791264 0.610742 1 S S124 1 0.833662 0.916334 0.610795 1 S S125 1 0.416311 0.041300 0.610705 1 S S126 1 0.499858 0.166347 0.610418 1 S S127 1 0.583333 0.291574 0.610367 1 S S128 1 0.666774 0.416830 0.610531 1 S S129 1 0.750098 0.541948 0.610638 1 S S130 1 0.833219 0.666731 0.610644 1 S S131 1 0.916779 0.790689 0.613402 1 S S132 1 0.000835 0.917198 0.613664 1 S S133 1 0.583333 0.041123 0.610454 1 S S134 1 0.666809 0.166347 0.610418 1 S S135 1 0.750219 0.291689 0.610440 1 S S136 1 0.833497 0.417110 0.610394 1 S S137 1 0.916586 0.542188 0.610853 1 S S138 1 -0.001013 0.667104 0.613554 1 S S139 1 0.750356 0.041300 0.610705 1 S S140 1 0.833737 0.166467 0.610327 1 S S141 1 0.916860 0.291870 0.610556 1 S S142 1 -0.000056 0.417132 0.610839 1 S S143 1 0.917170 0.041493 0.610851 1 S S144 1 0.000121 0.166686 0.610623 1