# 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 0.791711 0.335713 1 W W2 1 0.002477 0.750963 0.504155 1 W W3 1 0.083333 0.872987 0.504059 1 W W4 1 -0.000092 0.500360 0.500245 1 W W5 1 0.083333 0.626460 0.502012 1 W W6 1 0.164190 0.750963 0.504155 1 W W7 1 0.248534 0.874319 0.501916 1 W W8 1 0.000051 0.250195 0.499967 1 W W9 1 0.083333 0.375648 0.500068 1 W W10 1 0.166759 0.500360 0.500245 1 W W11 1 0.250126 0.625271 0.500046 1 W W12 1 0.333181 0.749749 0.499995 1 W W13 1 0.416633 0.874654 0.500158 1 W W14 1 0.000319 0.000010 0.500122 1 W W15 1 0.083333 0.125470 0.499988 1 W W16 1 0.166615 0.250195 0.499967 1 W W17 1 0.249763 0.375403 0.500008 1 W W18 1 0.333297 0.500328 0.499866 1 W W19 1 0.417050 0.624866 0.499973 1 W W20 1 0.499856 0.749785 0.499859 1 W W21 1 0.583333 0.874751 0.500008 1 W W22 1 0.166348 0.000010 0.500122 1 W W23 1 0.249691 0.124909 0.499877 1 W W24 1 0.333143 0.250123 0.499912 1 W W25 1 0.416658 0.375094 0.499965 1 W W26 1 0.499830 0.500106 0.500012 1 W W27 1 0.583333 0.625023 0.499994 1 W W28 1 0.666810 0.749785 0.499859 1 W W29 1 0.750033 0.874654 0.500158 1 W W30 1 0.333068 -0.000132 0.500239 1 W W31 1 0.416458 0.124647 0.500008 1 W W32 1 0.499764 0.249882 0.499955 1 W W33 1 0.583333 0.375019 0.500032 1 W W34 1 0.666836 0.500106 0.500012 1 W W35 1 0.749616 0.624866 0.499973 1 W W36 1 0.833486 0.749749 0.499995 1 W W37 1 0.918133 0.874319 0.501915 1 W W38 1 0.499663 -0.000482 0.500010 1 W W39 1 0.583333 0.124677 0.499951 1 W W40 1 0.666903 0.249882 0.499955 1 W W41 1 0.750009 0.375094 0.499965 1 W W42 1 0.833369 0.500328 0.499866 1 W W43 1 0.916541 0.625271 0.500046 1 W W44 1 0.667004 -0.000482 0.500010 1 W W45 1 0.750209 0.124647 0.500008 1 W W46 1 0.833523 0.250123 0.499912 1 W W47 1 0.916904 0.375403 0.500008 1 W W48 1 0.833599 -0.000132 0.500239 1 W W49 1 0.916976 0.124909 0.499877 1 S S50 1 0.166102 0.915328 0.391223 1 S S51 1 0.083333 0.543009 0.390440 1 S S52 1 0.165509 0.667720 0.391251 1 S S53 1 0.248143 0.791942 0.391323 1 S S54 1 0.332177 0.915932 0.390460 1 S S55 1 0.083333 0.292196 0.389525 1 S S56 1 0.166502 0.417208 0.389307 1 S S57 1 0.249799 0.541880 0.389259 1 S S58 1 0.333479 0.666597 0.389312 1 S S59 1 0.416570 0.791618 0.389187 1 S S60 1 0.499798 0.916324 0.389243 1 S S61 1 0.083333 0.041874 0.389450 1 S S62 1 0.166583 0.166838 0.389193 1 S S63 1 0.249884 0.291935 0.389392 1 S S64 1 0.333231 0.416934 0.389437 1 S S65 1 0.416677 0.541756 0.389112 1 S S66 1 0.500046 0.666603 0.389055 1 S S67 1 0.583333 0.791431 0.389206 1 S S68 1 0.666869 0.916324 0.389243 1 S S69 1 0.249944 0.041438 0.389355 1 S S70 1 0.333127 0.166540 0.389499 1 S S71 1 0.416498 0.291714 0.389424 1 S S72 1 0.499977 0.416738 0.389469 1 S S73 1 0.583333 0.541689 0.389472 1 S S74 1 0.666621 0.666603 0.389055 1 S S75 1 0.750097 0.791618 0.389187 1 S S76 1 0.834490 0.915932 0.390460 1 S S77 1 0.416389 0.041222 0.389384 1 S S78 1 0.499874 0.166394 0.389566 1 S S79 1 0.583333 0.291549 0.389690 1 S S80 1 0.666690 0.416738 0.389469 1 S S81 1 0.749990 0.541757 0.389112 1 S S82 1 0.833188 0.666597 0.389312 1 S S83 1 0.918524 0.791942 0.391324 1 S S84 1 0.000564 0.915328 0.391223 1 S S85 1 0.583333 0.041071 0.389595 1 S S86 1 0.666793 0.166394 0.389566 1 S S87 1 0.750169 0.291715 0.389424 1 S S88 1 0.833436 0.416934 0.389437 1 S S89 1 0.916867 0.541880 0.389259 1 S S90 1 0.001158 0.667720 0.391251 1 S S91 1 0.750277 0.041222 0.389384 1 S S92 1 0.833539 0.166540 0.389499 1 S S93 1 0.916782 0.291935 0.389392 1 S S94 1 0.000165 0.417208 0.389307 1 S S95 1 0.916722 0.041438 0.389355 1 S S96 1 0.000084 0.166838 0.389193 1 S S97 1 0.083333 0.791773 0.616382 1 S S98 1 0.165859 0.917265 0.612903 1 S S99 1 0.083333 0.542023 0.611011 1 S S100 1 0.167713 0.667029 0.612904 1 S S101 1 0.250069 0.790685 0.612709 1 S S102 1 0.333121 0.916387 0.610877 1 S S103 1 0.083333 0.292068 0.610458 1 S S104 1 0.166684 0.417089 0.610924 1 S S105 1 0.250118 0.541873 0.610920 1 S S106 1 0.333640 0.666558 0.610668 1 S S107 1 0.416659 0.791411 0.610879 1 S S108 1 0.499963 0.916279 0.610869 1 S S109 1 0.083333 0.042034 0.610697 1 S S110 1 0.166577 0.166828 0.610751 1 S S111 1 0.249886 0.291913 0.610494 1 S S112 1 0.333243 0.416980 0.610428 1 S S113 1 0.416648 0.541801 0.610853 1 S S114 1 0.499991 0.666617 0.610876 1 S S115 1 0.583333 0.791368 0.610562 1 S S116 1 0.666703 0.916279 0.610869 1 S S117 1 0.249820 0.041681 0.610881 1 S S118 1 0.333063 0.166569 0.610353 1 S S119 1 0.416474 0.291707 0.610474 1 S S120 1 0.499947 0.416734 0.610551 1 S S121 1 0.583333 0.541698 0.610600 1 S S122 1 0.666676 0.666617 0.610876 1 S S123 1 0.750007 0.791411 0.610879 1 S S124 1 0.833546 0.916387 0.610877 1 S S125 1 0.416438 0.041392 0.610810 1 S S126 1 0.499919 0.166401 0.610372 1 S S127 1 0.583333 0.291520 0.610314 1 S S128 1 0.666719 0.416734 0.610551 1 S S129 1 0.750018 0.541801 0.610854 1 S S130 1 0.833027 0.666558 0.610668 1 S S131 1 0.916598 0.790685 0.612709 1 S S132 1 0.000808 0.917265 0.612903 1 S S133 1 0.583333 0.041164 0.610298 1 S S134 1 0.666748 0.166401 0.610372 1 S S135 1 0.750192 0.291708 0.610474 1 S S136 1 0.833424 0.416980 0.610428 1 S S137 1 0.916549 0.541873 0.610920 1 S S138 1 -0.001046 0.667029 0.612905 1 S S139 1 0.750229 0.041392 0.610810 1 S S140 1 0.833604 0.166569 0.610353 1 S S141 1 0.916780 0.291913 0.610494 1 S S142 1 -0.000017 0.417089 0.610924 1 S S143 1 0.916846 0.041681 0.610880 1 S S144 1 0.000090 0.166828 0.610751 1