# 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 0.743301 0.500000 1 W W2 1 0.083068 0.877912 0.500000 1 W W3 1 0.000000 0.499104 0.500000 1 W W4 1 0.082726 0.623516 0.500000 1 W W5 1 0.165927 0.750530 0.500000 1 W W6 1 0.249556 0.875167 0.499999 1 W W7 1 0.000000 0.250291 0.500000 1 W W8 1 0.083465 0.374906 0.500000 1 W W9 1 0.167079 0.499643 0.500000 1 W W10 1 0.249544 0.624989 0.500000 1 W W11 1 0.332745 0.749907 0.499999 1 W W12 1 0.416564 0.874858 0.499999 1 W W13 1 -0.000000 0.001313 0.500001 1 W W14 1 0.083492 0.125647 0.500000 1 W W15 1 0.166865 0.250230 0.500000 1 W W16 1 0.250252 0.374956 0.500000 1 W W17 1 0.333351 0.500040 0.500000 1 W W18 1 0.416569 0.624979 0.500000 1 W W19 1 0.500000 0.749805 0.500000 1 W W20 1 0.583436 0.874858 0.500000 1 W W21 1 0.166688 0.000315 0.499999 1 W W22 1 0.250116 0.125213 0.500000 1 W W23 1 0.333466 0.250056 0.500000 1 W W24 1 0.416737 0.375033 0.500000 1 W W25 1 0.500000 0.499985 0.500000 1 W W26 1 0.583431 0.624979 0.500000 1 W W27 1 0.667255 0.749907 0.500000 1 W W28 1 0.750444 0.875167 0.500000 1 W W29 1 0.333252 0.000074 0.499999 1 W W30 1 0.416722 0.125002 0.500000 1 W W31 1 0.500000 0.250016 0.500000 1 W W32 1 0.583263 0.375033 0.500000 1 W W33 1 0.666649 0.500040 0.500000 1 W W34 1 0.750456 0.624989 0.500000 1 W W35 1 0.834073 0.750530 0.500000 1 W W36 1 0.916932 0.877912 0.500000 1 W W37 1 0.500000 -0.000120 0.500000 1 W W38 1 0.583278 0.125002 0.500000 1 W W39 1 0.666534 0.250056 0.500000 1 W W40 1 0.749748 0.374956 0.500000 1 W W41 1 0.832921 0.499643 0.500000 1 W W42 1 0.917274 0.623516 0.500000 1 W W43 1 0.666748 0.000074 0.500000 1 W W44 1 0.749884 0.125213 0.500000 1 W W45 1 0.833135 0.250230 0.500000 1 W W46 1 0.916535 0.374906 0.500000 1 W W47 1 0.833312 0.000315 0.500000 1 W W48 1 0.916508 0.125647 0.500000 1 S S49 1 0.080186 0.791638 0.392818 1 S S50 1 0.166903 0.917155 0.388444 1 S S51 1 0.083501 0.540432 0.389095 1 S S52 1 0.165922 0.666842 0.389538 1 S S53 1 0.249212 0.791858 0.389235 1 S S54 1 0.333232 0.916660 0.389353 1 S S55 1 0.083461 0.291734 0.389175 1 S S56 1 0.166935 0.416406 0.389166 1 S S57 1 0.250055 0.541687 0.389149 1 S S58 1 0.333013 0.666618 0.389323 1 S S59 1 0.416401 0.791480 0.389365 1 S S60 1 0.500000 0.916497 0.389280 1 S S61 1 0.083588 0.042559 0.389160 1 S S62 1 0.166910 0.167021 0.389169 1 S S63 1 0.250227 0.291722 0.389156 1 S S64 1 0.333471 0.416698 0.389196 1 S S65 1 0.416675 0.541660 0.389226 1 S S66 1 0.500000 0.666557 0.389222 1 S S67 1 0.583599 0.791480 0.389364 1 S S68 1 0.666768 0.916660 0.389352 1 S S69 1 0.250027 0.041882 0.389223 1 S S70 1 0.333472 0.166734 0.389209 1 S S71 1 0.416743 0.291696 0.389200 1 S S72 1 0.500000 0.416667 0.389184 1 S S73 1 0.583325 0.541660 0.389226 1 S S74 1 0.666987 0.666618 0.389323 1 S S75 1 0.750788 0.791858 0.389235 1 S S76 1 0.833097 0.917155 0.388444 1 S S77 1 0.416678 0.041625 0.389261 1 S S78 1 0.500000 0.166675 0.389210 1 S S79 1 0.583257 0.291696 0.389200 1 S S80 1 0.666529 0.416698 0.389196 1 S S81 1 0.749945 0.541687 0.389149 1 S S82 1 0.834078 0.666842 0.389538 1 S S83 1 0.919814 0.791638 0.392818 1 S S84 1 0.000000 0.918546 0.388812 1 S S85 1 0.583322 0.041626 0.389261 1 S S86 1 0.666528 0.166734 0.389209 1 S S87 1 0.749773 0.291722 0.389156 1 S S88 1 0.833065 0.416406 0.389166 1 S S89 1 0.916499 0.540432 0.389095 1 S S90 1 -0.000000 0.663785 0.388779 1 S S91 1 0.749973 0.041882 0.389222 1 S S92 1 0.833090 0.167021 0.389169 1 S S93 1 0.916539 0.291734 0.389175 1 S S94 1 0.000000 0.416133 0.389023 1 S S95 1 0.916412 0.042559 0.389160 1 S S96 1 -0.000000 0.167122 0.389192 1 S S97 1 0.080186 0.791638 0.607182 1 S S98 1 0.166903 0.917155 0.611556 1 S S99 1 0.083501 0.540432 0.610905 1 S S100 1 0.165922 0.666842 0.610463 1 S S101 1 0.249212 0.791858 0.610765 1 S S102 1 0.333232 0.916660 0.610648 1 S S103 1 0.083461 0.291734 0.610826 1 S S104 1 0.166935 0.416406 0.610834 1 S S105 1 0.250055 0.541687 0.610851 1 S S106 1 0.333013 0.666618 0.610677 1 S S107 1 0.416401 0.791479 0.610636 1 S S108 1 0.500000 0.916497 0.610720 1 S S109 1 0.083588 0.042559 0.610840 1 S S110 1 0.166910 0.167021 0.610831 1 S S111 1 0.250227 0.291722 0.610844 1 S S112 1 0.333471 0.416698 0.610804 1 S S113 1 0.416675 0.541660 0.610774 1 S S114 1 0.500000 0.666557 0.610778 1 S S115 1 0.583599 0.791479 0.610636 1 S S116 1 0.666768 0.916660 0.610648 1 S S117 1 0.250027 0.041882 0.610778 1 S S118 1 0.333472 0.166734 0.610791 1 S S119 1 0.416743 0.291696 0.610800 1 S S120 1 0.500000 0.416667 0.610816 1 S S121 1 0.583325 0.541660 0.610774 1 S S122 1 0.666987 0.666618 0.610677 1 S S123 1 0.750788 0.791858 0.610765 1 S S124 1 0.833097 0.917155 0.611556 1 S S125 1 0.416678 0.041626 0.610739 1 S S126 1 0.500000 0.166675 0.610790 1 S S127 1 0.583257 0.291696 0.610800 1 S S128 1 0.666529 0.416698 0.610804 1 S S129 1 0.749945 0.541687 0.610851 1 S S130 1 0.834078 0.666842 0.610463 1 S S131 1 0.919814 0.791637 0.607182 1 S S132 1 -0.000000 0.918546 0.611188 1 S S133 1 0.583322 0.041626 0.610739 1 S S134 1 0.666528 0.166734 0.610791 1 S S135 1 0.749773 0.291722 0.610844 1 S S136 1 0.833065 0.416406 0.610834 1 S S137 1 0.916499 0.540432 0.610905 1 S S138 1 -0.000000 0.663785 0.611221 1 S S139 1 0.749973 0.041882 0.610778 1 S S140 1 0.833090 0.167021 0.610831 1 S S141 1 0.916539 0.291734 0.610826 1 S S142 1 0.000000 0.416133 0.610977 1 S S143 1 0.916412 0.042559 0.610840 1 S S144 1 -0.000000 0.167122 0.610808 1