# generated using pymatgen data_AlW48S95 _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 AlW48S95 _chemical_formula_sum 'Al1 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 Al Al1 1 0.083230 0.821965 0.299379 1 W W2 1 0.003179 0.751650 0.509963 1 W W3 1 0.083333 0.871530 0.512294 1 W W4 1 0.000228 0.500731 0.500468 1 W W5 1 0.083335 0.626972 0.505243 1 W W6 1 0.163490 0.751649 0.509961 1 W W7 1 0.248264 0.873565 0.505748 1 W W8 1 0.000167 0.249751 0.498304 1 W W9 1 0.083334 0.375288 0.498764 1 W W10 1 0.166440 0.500731 0.500468 1 W W11 1 0.249366 0.625854 0.501971 1 W W12 1 0.332193 0.749854 0.502334 1 W W13 1 0.416003 0.874369 0.501805 1 W W14 1 0.000818 0.998783 0.502316 1 W W15 1 0.083336 0.124418 0.499484 1 W W16 1 0.166502 0.249751 0.498305 1 W W17 1 0.249831 0.375122 0.498254 1 W W18 1 0.332923 0.500487 0.498877 1 W W19 1 0.416255 0.625120 0.499714 1 W W20 1 0.499666 0.749780 0.500431 1 W W21 1 0.583335 0.874562 0.500746 1 W W22 1 0.165850 0.998779 0.502316 1 W W23 1 0.249603 0.124243 0.499301 1 W W24 1 0.333049 0.249715 0.497918 1 W W25 1 0.416409 0.374981 0.497540 1 W W26 1 0.499922 0.500048 0.497971 1 W W27 1 0.583334 0.625091 0.499018 1 W W28 1 0.667002 0.749782 0.500427 1 W W29 1 0.750665 0.874370 0.501801 1 W W30 1 0.332563 0.999146 0.501357 1 W W31 1 0.416305 0.124369 0.498945 1 W W32 1 0.499894 0.249615 0.497620 1 W W33 1 0.583334 0.374945 0.497294 1 W W34 1 0.666746 0.500049 0.497970 1 W W35 1 0.750413 0.625121 0.499710 1 W W36 1 0.834476 0.749857 0.502327 1 W W37 1 0.918401 0.873568 0.505747 1 W W38 1 0.499741 0.999329 0.500311 1 W W39 1 0.583335 0.124443 0.498733 1 W W40 1 0.666773 0.249616 0.497621 1 W W41 1 0.750258 0.374981 0.497540 1 W W42 1 0.833744 0.500488 0.498877 1 W W43 1 0.917304 0.625856 0.501969 1 W W44 1 0.666928 0.999329 0.500310 1 W W45 1 0.750363 0.124371 0.498943 1 W W46 1 0.833619 0.249716 0.497919 1 W W47 1 0.916837 0.375123 0.498253 1 W W48 1 0.834105 0.999149 0.501352 1 W W49 1 0.917065 0.124245 0.499300 1 S S50 1 0.163933 0.911824 0.395504 1 S S51 1 0.083334 0.544387 0.391669 1 S S52 1 0.164015 0.670850 0.395148 1 S S53 1 0.244731 0.791448 0.395063 1 S S54 1 0.331100 0.914949 0.392564 1 S S55 1 0.083334 0.291805 0.387801 1 S S56 1 0.166363 0.417789 0.388598 1 S S57 1 0.248914 0.543257 0.389711 1 S S58 1 0.332013 0.667360 0.390518 1 S S59 1 0.415170 0.791470 0.390826 1 S S60 1 0.499286 0.915732 0.390357 1 S S61 1 0.083336 0.040033 0.390426 1 S S62 1 0.166478 0.165795 0.388313 1 S S63 1 0.249621 0.291604 0.387526 1 S S64 1 0.332798 0.417267 0.387635 1 S S65 1 0.416073 0.542271 0.388171 1 S S66 1 0.499524 0.667013 0.388983 1 S S67 1 0.583333 0.791479 0.389901 1 S S68 1 0.667381 0.915733 0.390356 1 S S69 1 0.248951 0.039738 0.390323 1 S S70 1 0.332824 0.165671 0.388144 1 S S71 1 0.416354 0.291342 0.387142 1 S S72 1 0.499772 0.416832 0.387000 1 S S73 1 0.583333 0.542113 0.387652 1 S S74 1 0.667143 0.667013 0.388980 1 S S75 1 0.751497 0.791471 0.390820 1 S S76 1 0.835568 0.914952 0.392559 1 S S77 1 0.415815 0.040228 0.389665 1 S S78 1 0.499734 0.165660 0.387892 1 S S79 1 0.583334 0.291261 0.386994 1 S S80 1 0.666895 0.416832 0.386999 1 S S81 1 0.750595 0.542270 0.388169 1 S S82 1 0.834656 0.667361 0.390514 1 S S83 1 0.921941 0.791452 0.395058 1 S S84 1 0.002732 0.911828 0.395506 1 S S85 1 0.583334 0.040463 0.389232 1 S S86 1 0.666934 0.165662 0.387891 1 S S87 1 0.750313 0.291342 0.387143 1 S S88 1 0.833869 0.417267 0.387635 1 S S89 1 0.917754 0.543257 0.389710 1 S S90 1 0.002656 0.670851 0.395144 1 S S91 1 0.750851 0.040230 0.389660 1 S S92 1 0.833844 0.165672 0.388144 1 S S93 1 0.917047 0.291604 0.387526 1 S S94 1 0.000305 0.417789 0.388598 1 S S95 1 0.917718 0.039742 0.390322 1 S S96 1 0.000192 0.165795 0.388313 1 S S97 1 0.083336 0.791113 0.624566 1 S S98 1 0.166278 0.917089 0.617658 1 S S99 1 0.083334 0.541415 0.612504 1 S S100 1 0.167602 0.667066 0.616709 1 S S101 1 0.249965 0.790313 0.617166 1 S S102 1 0.333478 0.916440 0.613448 1 S S103 1 0.083334 0.291578 0.608946 1 S S104 1 0.166765 0.416486 0.609641 1 S S105 1 0.250226 0.541612 0.611073 1 S S106 1 0.333618 0.666270 0.612010 1 S S107 1 0.416640 0.791000 0.612216 1 S S108 1 0.500025 0.916313 0.611559 1 S S109 1 0.083334 0.041817 0.612050 1 S S110 1 0.166605 0.166632 0.609610 1 S S111 1 0.249932 0.291571 0.608625 1 S S112 1 0.333358 0.416598 0.608636 1 S S113 1 0.416781 0.541346 0.609366 1 S S114 1 0.500045 0.666190 0.610342 1 S S115 1 0.583335 0.791167 0.611136 1 S S116 1 0.666645 0.916314 0.611559 1 S S117 1 0.249523 0.041650 0.611577 1 S S118 1 0.333100 0.166582 0.609154 1 S S119 1 0.416588 0.291542 0.608069 1 S S120 1 0.499976 0.416449 0.608021 1 S S121 1 0.583334 0.541347 0.608815 1 S S122 1 0.666624 0.666193 0.610338 1 S S123 1 0.750029 0.791001 0.612210 1 S S124 1 0.833187 0.916444 0.613443 1 S S125 1 0.416501 0.041550 0.610716 1 S S126 1 0.499887 0.166544 0.608835 1 S S127 1 0.583334 0.291528 0.607855 1 S S128 1 0.666692 0.416449 0.608021 1 S S129 1 0.749887 0.541347 0.609365 1 S S130 1 0.833050 0.666274 0.612002 1 S S131 1 0.916702 0.790315 0.617164 1 S S132 1 0.000388 0.917091 0.617655 1 S S133 1 0.583335 0.041527 0.610277 1 S S134 1 0.666782 0.166545 0.608835 1 S S135 1 0.750080 0.291543 0.608071 1 S S136 1 0.833310 0.416598 0.608636 1 S S137 1 0.916442 0.541615 0.611072 1 S S138 1 0.999068 0.667066 0.616707 1 S S139 1 0.750168 0.041552 0.610714 1 S S140 1 0.833568 0.166583 0.609154 1 S S141 1 0.916737 0.291571 0.608625 1 S S142 1 0.999904 0.416486 0.609641 1 S S143 1 0.917143 0.041652 0.611576 1 S S144 1 0.000065 0.166632 0.609609 1