# generated using pymatgen data_RuW47S96 _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 RuW47S96 _chemical_formula_sum 'Ru1 W47 S96' _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 Ru Ru1 1 -0.000000 0.750009 0.500000 1 W W2 1 0.083980 0.875261 0.500000 1 W W3 1 0.000000 0.499886 0.500000 1 W W4 1 0.083295 0.624381 0.500000 1 W W5 1 0.167270 0.750317 0.500000 1 W W6 1 0.250151 0.875036 0.500000 1 W W7 1 -0.000000 0.250189 0.500000 1 W W8 1 0.083370 0.375153 0.500000 1 W W9 1 0.166888 0.500158 0.500000 1 W W10 1 0.249898 0.625017 0.500000 1 W W11 1 0.333304 0.749700 0.500000 1 W W12 1 0.416632 0.874837 0.500000 1 W W13 1 -0.000000 -0.000071 0.500000 1 W W14 1 0.083298 0.125132 0.500000 1 W W15 1 0.166665 0.250139 0.500000 1 W W16 1 0.250079 0.375087 0.500000 1 W W17 1 0.333398 0.499975 0.500000 1 W W18 1 0.416695 0.624869 0.500000 1 W W19 1 0.500000 0.749742 0.500000 1 W W20 1 0.583368 0.874837 0.500000 1 W W21 1 0.166404 0.000101 0.500000 1 W W22 1 0.249918 0.125081 0.500000 1 W W23 1 0.333326 0.250050 0.500000 1 W W24 1 0.416689 0.375001 0.500000 1 W W25 1 0.500000 0.499916 0.500000 1 W W26 1 0.583305 0.624869 0.500000 1 W W27 1 0.666696 0.749700 0.500000 1 W W28 1 0.749849 0.875036 0.500000 1 W W29 1 0.333250 -0.000039 0.500000 1 W W30 1 0.416623 0.124982 0.500000 1 W W31 1 0.500000 0.250015 0.500000 1 W W32 1 0.583311 0.375001 0.500000 1 W W33 1 0.666602 0.499975 0.500000 1 W W34 1 0.750102 0.625017 0.500000 1 W W35 1 0.832730 0.750317 0.500000 1 W W36 1 0.916020 0.875261 0.500000 1 W W37 1 0.500000 -0.000101 0.500000 1 W W38 1 0.583377 0.124982 0.500000 1 W W39 1 0.666674 0.250050 0.500000 1 W W40 1 0.749921 0.375087 0.500000 1 W W41 1 0.833112 0.500158 0.500000 1 W W42 1 0.916705 0.624381 0.500000 1 W W43 1 0.666750 -0.000039 0.500000 1 W W44 1 0.750082 0.125081 0.500000 1 W W45 1 0.833335 0.250139 0.500000 1 W W46 1 0.916630 0.375153 0.500000 1 W W47 1 0.833596 0.000101 0.500000 1 W W48 1 0.916702 0.125132 0.500000 1 S S49 1 0.082859 0.791412 0.391238 1 S S50 1 0.167055 0.916808 0.389005 1 S S51 1 0.083290 0.541312 0.388997 1 S S52 1 0.166530 0.666726 0.389213 1 S S53 1 0.250343 0.791859 0.389006 1 S S54 1 0.333448 0.916690 0.389158 1 S S55 1 0.083358 0.291794 0.389208 1 S S56 1 0.166760 0.416759 0.389233 1 S S57 1 0.250169 0.541671 0.389153 1 S S58 1 0.333381 0.666479 0.389163 1 S S59 1 0.416668 0.791494 0.389254 1 S S60 1 0.500000 0.916547 0.389256 1 S S61 1 0.083225 0.041820 0.389174 1 S S62 1 0.166653 0.166791 0.389198 1 S S63 1 0.250028 0.291739 0.389204 1 S S64 1 0.333401 0.416645 0.389164 1 S S65 1 0.416727 0.541561 0.389172 1 S S66 1 0.500000 0.666507 0.389137 1 S S67 1 0.583332 0.791494 0.389254 1 S S68 1 0.666552 0.916690 0.389158 1 S S69 1 0.249896 0.041712 0.389267 1 S S70 1 0.333308 0.166697 0.389222 1 S S71 1 0.416679 0.291666 0.389199 1 S S72 1 0.500000 0.416614 0.389167 1 S S73 1 0.583273 0.541561 0.389172 1 S S74 1 0.666619 0.666479 0.389163 1 S S75 1 0.749657 0.791859 0.389006 1 S S76 1 0.832945 0.916808 0.389005 1 S S77 1 0.416642 0.041639 0.389247 1 S S78 1 0.500000 0.166659 0.389243 1 S S79 1 0.583321 0.291666 0.389199 1 S S80 1 0.666599 0.416645 0.389164 1 S S81 1 0.749831 0.541671 0.389153 1 S S82 1 0.833470 0.666726 0.389213 1 S S83 1 0.917141 0.791412 0.391238 1 S S84 1 -0.000000 0.916528 0.389231 1 S S85 1 0.583358 0.041639 0.389247 1 S S86 1 0.666692 0.166697 0.389222 1 S S87 1 0.749972 0.291739 0.389204 1 S S88 1 0.833240 0.416759 0.389233 1 S S89 1 0.916710 0.541312 0.388997 1 S S90 1 0.000000 0.667139 0.391245 1 S S91 1 0.750104 0.041712 0.389267 1 S S92 1 0.833347 0.166791 0.389198 1 S S93 1 0.916642 0.291794 0.389208 1 S S94 1 -0.000000 0.416600 0.389126 1 S S95 1 0.916775 0.041820 0.389174 1 S S96 1 -0.000000 0.166841 0.389208 1 S S97 1 0.082859 0.791412 0.608762 1 S S98 1 0.167055 0.916808 0.610995 1 S S99 1 0.083290 0.541312 0.611003 1 S S100 1 0.166530 0.666726 0.610787 1 S S101 1 0.250343 0.791859 0.610994 1 S S102 1 0.333448 0.916690 0.610842 1 S S103 1 0.083358 0.291794 0.610792 1 S S104 1 0.166760 0.416759 0.610767 1 S S105 1 0.250169 0.541671 0.610847 1 S S106 1 0.333381 0.666479 0.610837 1 S S107 1 0.416668 0.791494 0.610746 1 S S108 1 0.500000 0.916547 0.610744 1 S S109 1 0.083225 0.041820 0.610826 1 S S110 1 0.166653 0.166791 0.610802 1 S S111 1 0.250028 0.291739 0.610796 1 S S112 1 0.333401 0.416645 0.610836 1 S S113 1 0.416727 0.541561 0.610828 1 S S114 1 0.500000 0.666507 0.610863 1 S S115 1 0.583332 0.791494 0.610746 1 S S116 1 0.666552 0.916690 0.610842 1 S S117 1 0.249896 0.041712 0.610733 1 S S118 1 0.333308 0.166697 0.610778 1 S S119 1 0.416679 0.291666 0.610801 1 S S120 1 0.500000 0.416614 0.610833 1 S S121 1 0.583273 0.541561 0.610828 1 S S122 1 0.666619 0.666479 0.610837 1 S S123 1 0.749657 0.791859 0.610994 1 S S124 1 0.832945 0.916808 0.610995 1 S S125 1 0.416642 0.041639 0.610753 1 S S126 1 0.500000 0.166659 0.610757 1 S S127 1 0.583321 0.291666 0.610801 1 S S128 1 0.666599 0.416645 0.610836 1 S S129 1 0.749831 0.541671 0.610847 1 S S130 1 0.833470 0.666726 0.610787 1 S S131 1 0.917141 0.791412 0.608762 1 S S132 1 -0.000000 0.916528 0.610769 1 S S133 1 0.583358 0.041639 0.610753 1 S S134 1 0.666692 0.166697 0.610778 1 S S135 1 0.749972 0.291739 0.610796 1 S S136 1 0.833240 0.416759 0.610767 1 S S137 1 0.916710 0.541312 0.611003 1 S S138 1 0.000000 0.667139 0.608755 1 S S139 1 0.750104 0.041712 0.610733 1 S S140 1 0.833347 0.166791 0.610802 1 S S141 1 0.916642 0.291794 0.610792 1 S S142 1 -0.000000 0.416600 0.610874 1 S S143 1 0.916775 0.041820 0.610826 1 S S144 1 -0.000000 0.166841 0.610792 1