# generated using pymatgen data_CuW48S95 _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 CuW48S95 _chemical_formula_sum 'Cu1 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 Cu Cu1 1 0.083333 0.791734 0.370859 1 W W2 1 0.001120 0.750641 0.505929 1 W W3 1 0.083333 0.873907 0.505917 1 W W4 1 0.000017 0.500718 0.500198 1 W W5 1 0.083333 0.626842 0.502805 1 W W6 1 0.165546 0.750641 0.505929 1 W W7 1 0.248311 0.874143 0.502723 1 W W8 1 0.000065 0.250110 0.499172 1 W W9 1 0.083333 0.375454 0.499520 1 W W10 1 0.166649 0.500718 0.500198 1 W W11 1 0.249552 0.625737 0.500417 1 W W12 1 0.332535 0.750043 0.500278 1 W W13 1 0.416219 0.874614 0.500012 1 W W14 1 0.000410 -0.000645 0.500433 1 W W15 1 0.083333 0.124858 0.499343 1 W W16 1 0.166602 0.250110 0.499172 1 W W17 1 0.249884 0.375322 0.499354 1 W W18 1 0.333155 0.500435 0.499312 1 W W19 1 0.416498 0.625144 0.499080 1 W W20 1 0.499758 0.749886 0.498928 1 W W21 1 0.583333 0.874716 0.499291 1 W W22 1 0.166257 -0.000645 0.500433 1 W W23 1 0.249703 0.124713 0.499408 1 W W24 1 0.333153 0.249947 0.499339 1 W W25 1 0.416540 0.375121 0.499287 1 W W26 1 0.499937 0.500124 0.498948 1 W W27 1 0.583333 0.625068 0.498642 1 W W28 1 0.666909 0.749885 0.498928 1 W W29 1 0.750447 0.874614 0.500012 1 W W30 1 0.332787 -0.000385 0.500215 1 W W31 1 0.416444 0.124694 0.499629 1 W W32 1 0.499912 0.249848 0.499576 1 W W33 1 0.583333 0.375007 0.499302 1 W W34 1 0.666730 0.500124 0.498948 1 W W35 1 0.750168 0.625144 0.499080 1 W W36 1 0.834132 0.750043 0.500278 1 W W37 1 0.918355 0.874143 0.502723 1 W W38 1 0.499792 -0.000402 0.499758 1 W W39 1 0.583333 0.124665 0.499715 1 W W40 1 0.666755 0.249847 0.499575 1 W W41 1 0.750127 0.375121 0.499287 1 W W42 1 0.833512 0.500435 0.499312 1 W W43 1 0.917115 0.625737 0.500417 1 W W44 1 0.666874 -0.000402 0.499758 1 W W45 1 0.750223 0.124694 0.499629 1 W W46 1 0.833513 0.249947 0.499338 1 W W47 1 0.916783 0.375322 0.499354 1 W W48 1 0.833879 -0.000385 0.500215 1 W W49 1 0.916963 0.124713 0.499408 1 S S50 1 0.165080 0.914000 0.391831 1 S S51 1 0.083333 0.543517 0.390656 1 S S52 1 0.164759 0.669298 0.391855 1 S S53 1 0.246515 0.791854 0.391799 1 S S54 1 0.331697 0.915776 0.390561 1 S S55 1 0.083333 0.292052 0.388634 1 S S56 1 0.166535 0.417496 0.389043 1 S S57 1 0.249457 0.542581 0.389221 1 S S58 1 0.332650 0.667030 0.389101 1 S S59 1 0.415679 0.791624 0.388950 1 S S60 1 0.499505 0.916318 0.388983 1 S S61 1 0.083333 0.041063 0.389256 1 S S62 1 0.166597 0.166536 0.388567 1 S S63 1 0.249934 0.291869 0.388634 1 S S64 1 0.333167 0.416988 0.388680 1 S S65 1 0.416406 0.541851 0.388335 1 S S66 1 0.499740 0.666714 0.388038 1 S S67 1 0.583333 0.791581 0.388279 1 S S68 1 0.667161 0.916318 0.388983 1 S S69 1 0.249482 0.040863 0.389266 1 S S70 1 0.333165 0.166383 0.388841 1 S S71 1 0.416600 0.291582 0.388852 1 S S72 1 0.499938 0.416627 0.388564 1 S S73 1 0.583333 0.541665 0.388112 1 S S74 1 0.666927 0.666714 0.388038 1 S S75 1 0.750988 0.791624 0.388951 1 S S76 1 0.834969 0.915776 0.390561 1 S S77 1 0.416196 0.041106 0.389238 1 S S78 1 0.499912 0.166329 0.389092 1 S S79 1 0.583333 0.291458 0.388963 1 S S80 1 0.666728 0.416627 0.388564 1 S S81 1 0.750261 0.541851 0.388335 1 S S82 1 0.834017 0.667030 0.389102 1 S S83 1 0.920152 0.791854 0.391800 1 S S84 1 0.001587 0.913999 0.391831 1 S S85 1 0.583333 0.041230 0.389161 1 S S86 1 0.666755 0.166328 0.389092 1 S S87 1 0.750067 0.291582 0.388852 1 S S88 1 0.833499 0.416988 0.388680 1 S S89 1 0.917210 0.542581 0.389221 1 S S90 1 0.001908 0.669299 0.391856 1 S S91 1 0.750470 0.041106 0.389238 1 S S92 1 0.833502 0.166383 0.388841 1 S S93 1 0.916732 0.291869 0.388634 1 S S94 1 0.000131 0.417496 0.389043 1 S S95 1 0.917185 0.040863 0.389266 1 S S96 1 0.000069 0.166536 0.388567 1 S S97 1 0.083333 0.791730 0.616847 1 S S98 1 0.165996 0.917128 0.614415 1 S S99 1 0.083333 0.541996 0.611423 1 S S100 1 0.167483 0.667064 0.614448 1 S S101 1 0.250209 0.790919 0.614373 1 S S102 1 0.333230 0.916432 0.611320 1 S S103 1 0.083333 0.291844 0.609851 1 S S104 1 0.166690 0.416963 0.610327 1 S S105 1 0.250224 0.542087 0.610687 1 S S106 1 0.333552 0.666677 0.610598 1 S S107 1 0.416677 0.791247 0.610411 1 S S108 1 0.499995 0.916218 0.610325 1 S S109 1 0.083333 0.041791 0.610729 1 S S110 1 0.166546 0.166737 0.609931 1 S S111 1 0.249861 0.291820 0.609872 1 S S112 1 0.333270 0.416967 0.609913 1 S S113 1 0.416729 0.541868 0.609808 1 S S114 1 0.500070 0.666616 0.609563 1 S S115 1 0.583333 0.791308 0.609637 1 S S116 1 0.666672 0.916218 0.610325 1 S S117 1 0.249593 0.041624 0.610694 1 S S118 1 0.333038 0.166542 0.610032 1 S S119 1 0.416470 0.291700 0.609969 1 S S120 1 0.499951 0.416842 0.609778 1 S S121 1 0.583333 0.541841 0.609463 1 S S122 1 0.666596 0.666616 0.609563 1 S S123 1 0.749990 0.791247 0.610411 1 S S124 1 0.833437 0.916432 0.611320 1 S S125 1 0.416481 0.041389 0.610481 1 S S126 1 0.499867 0.166431 0.610214 1 S S127 1 0.583333 0.291642 0.610061 1 S S128 1 0.666715 0.416842 0.609778 1 S S129 1 0.749938 0.541868 0.609808 1 S S130 1 0.833115 0.666677 0.610597 1 S S131 1 0.916458 0.790919 0.614373 1 S S132 1 0.000671 0.917128 0.614415 1 S S133 1 0.583333 0.041261 0.610324 1 S S134 1 0.666800 0.166430 0.610214 1 S S135 1 0.750197 0.291700 0.609969 1 S S136 1 0.833396 0.416967 0.609913 1 S S137 1 0.916443 0.542087 0.610687 1 S S138 1 -0.000816 0.667064 0.614448 1 S S139 1 0.750185 0.041389 0.610481 1 S S140 1 0.833628 0.166542 0.610032 1 S S141 1 0.916805 0.291820 0.609872 1 S S142 1 -0.000024 0.416963 0.610327 1 S S143 1 0.917073 0.041624 0.610694 1 S S144 1 0.000120 0.166737 0.609931 1