# generated using pymatgen data_RuW48S95 _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 RuW48S95 _chemical_formula_sum 'Ru1 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 Ru Ru1 1 0.083340 0.791776 0.372967 1 W W2 1 0.001526 0.750858 0.506850 1 W W3 1 0.083333 0.873445 0.506966 1 W W4 1 -0.000090 0.500376 0.500254 1 W W5 1 0.083334 0.625321 0.503406 1 W W6 1 0.165142 0.750856 0.506855 1 W W7 1 0.249742 0.874950 0.503345 1 W W8 1 0.000011 0.250047 0.498908 1 W W9 1 0.083333 0.375207 0.499302 1 W W10 1 0.166757 0.500376 0.500255 1 W W11 1 0.249557 0.625508 0.500867 1 W W12 1 0.332695 0.750130 0.500607 1 W W13 1 0.416439 0.874864 0.499859 1 W W14 1 0.000214 -0.000500 0.500921 1 W W15 1 0.083333 0.124675 0.499247 1 W W16 1 0.166655 0.250048 0.498908 1 W W17 1 0.250014 0.375167 0.499186 1 W W18 1 0.333241 0.500305 0.499235 1 W W19 1 0.416309 0.625196 0.498911 1 W W20 1 0.499704 0.749950 0.498473 1 W W21 1 0.583333 0.874891 0.498810 1 W W22 1 0.166452 -0.000500 0.500920 1 W W23 1 0.249776 0.124801 0.499206 1 W W24 1 0.333305 0.249998 0.499156 1 W W25 1 0.416609 0.375106 0.499207 1 W W26 1 0.499920 0.500023 0.498759 1 W W27 1 0.583333 0.625030 0.498213 1 W W28 1 0.666962 0.749949 0.498473 1 W W29 1 0.750227 0.874864 0.499859 1 W W30 1 0.333039 -0.000022 0.500210 1 W W31 1 0.416507 0.125020 0.499419 1 W W32 1 0.499981 0.250020 0.499528 1 W W33 1 0.583333 0.375007 0.499269 1 W W34 1 0.666746 0.500023 0.498759 1 W W35 1 0.750357 0.625196 0.498911 1 W W36 1 0.833972 0.750130 0.500606 1 W W37 1 0.916925 0.874950 0.503344 1 W W38 1 0.499861 -0.000066 0.499423 1 W W39 1 0.583333 0.125049 0.499557 1 W W40 1 0.666685 0.250020 0.499528 1 W W41 1 0.750057 0.375106 0.499207 1 W W42 1 0.833426 0.500305 0.499235 1 W W43 1 0.917110 0.625508 0.500866 1 W W44 1 0.666805 -0.000066 0.499423 1 W W45 1 0.750159 0.125019 0.499419 1 W W46 1 0.833361 0.249999 0.499156 1 W W47 1 0.916653 0.375167 0.499186 1 W W48 1 0.833627 -0.000022 0.500210 1 W W49 1 0.916891 0.124801 0.499205 1 S S50 1 0.165494 0.913798 0.392390 1 S S51 1 0.083333 0.542740 0.390775 1 S S52 1 0.164400 0.668941 0.392387 1 S S53 1 0.246523 0.792308 0.392327 1 S S54 1 0.332180 0.916223 0.390619 1 S S55 1 0.083333 0.291830 0.388476 1 S S56 1 0.166667 0.417232 0.388983 1 S S57 1 0.249472 0.542575 0.389419 1 S S58 1 0.332216 0.667133 0.389314 1 S S59 1 0.415366 0.791655 0.388962 1 S S60 1 0.499496 0.916509 0.388825 1 S S61 1 0.083333 0.040594 0.389521 1 S S62 1 0.166556 0.166352 0.388527 1 S S63 1 0.250074 0.291736 0.388510 1 S S64 1 0.333307 0.416875 0.388600 1 S S65 1 0.416346 0.541769 0.388366 1 S S66 1 0.499545 0.666615 0.387976 1 S S67 1 0.583333 0.791578 0.388115 1 S S68 1 0.667170 0.916509 0.388825 1 S S69 1 0.249323 0.040778 0.389357 1 S S70 1 0.333158 0.166448 0.388650 1 S S71 1 0.416730 0.291587 0.388699 1 S S72 1 0.500001 0.416440 0.388482 1 S S73 1 0.583333 0.541448 0.388065 1 S S74 1 0.667121 0.666615 0.387975 1 S S75 1 0.751300 0.791655 0.388961 1 S S76 1 0.834486 0.916223 0.390619 1 S S77 1 0.416154 0.041444 0.389082 1 S S78 1 0.499955 0.166598 0.388945 1 S S79 1 0.583333 0.291494 0.388830 1 S S80 1 0.666665 0.416440 0.388483 1 S S81 1 0.750321 0.541769 0.388366 1 S S82 1 0.834451 0.667133 0.389314 1 S S83 1 0.920143 0.792309 0.392325 1 S S84 1 0.001173 0.913798 0.392391 1 S S85 1 0.583333 0.041598 0.389014 1 S S86 1 0.666711 0.166598 0.388945 1 S S87 1 0.749937 0.291587 0.388699 1 S S88 1 0.833360 0.416875 0.388600 1 S S89 1 0.917195 0.542575 0.389419 1 S S90 1 0.002268 0.668941 0.392385 1 S S91 1 0.750512 0.041444 0.389082 1 S S92 1 0.833508 0.166448 0.388649 1 S S93 1 0.916592 0.291736 0.388510 1 S S94 1 -0.000000 0.417232 0.388983 1 S S95 1 0.917344 0.040778 0.389357 1 S S96 1 0.000111 0.166352 0.388527 1 S S97 1 0.083333 0.791619 0.619366 1 S S98 1 0.167249 0.917270 0.614405 1 S S99 1 0.083333 0.540815 0.611885 1 S S100 1 0.167050 0.665950 0.614373 1 S S101 1 0.251028 0.791718 0.614251 1 S S102 1 0.334299 0.917035 0.611716 1 S S103 1 0.083333 0.291618 0.609498 1 S S104 1 0.166808 0.416517 0.610100 1 S S105 1 0.250370 0.541737 0.610713 1 S S106 1 0.333526 0.666645 0.610644 1 S S107 1 0.416944 0.791331 0.610169 1 S S108 1 0.500231 0.916418 0.609806 1 S S109 1 0.083333 0.041713 0.610859 1 S S110 1 0.166568 0.166657 0.609594 1 S S111 1 0.249963 0.291646 0.609604 1 S S112 1 0.333378 0.416806 0.609810 1 S S113 1 0.416773 0.541776 0.609510 1 S S114 1 0.500080 0.666595 0.608945 1 S S115 1 0.583333 0.791321 0.608926 1 S S116 1 0.666435 0.916417 0.609805 1 S S117 1 0.249792 0.041860 0.610707 1 S S118 1 0.333055 0.166629 0.609832 1 S S119 1 0.416522 0.291689 0.609954 1 S S120 1 0.499998 0.416737 0.609711 1 S S121 1 0.583333 0.541749 0.609009 1 S S122 1 0.666586 0.666595 0.608944 1 S S123 1 0.749723 0.791331 0.610169 1 S S124 1 0.832367 0.917035 0.611716 1 S S125 1 0.416694 0.041763 0.610229 1 S S126 1 0.499866 0.166632 0.610114 1 S S127 1 0.583333 0.291675 0.610179 1 S S128 1 0.666669 0.416737 0.609712 1 S S129 1 0.749894 0.541777 0.609510 1 S S130 1 0.833141 0.666645 0.610643 1 S S131 1 0.915640 0.791718 0.614248 1 S S132 1 -0.000583 0.917270 0.614405 1 S S133 1 0.583333 0.041517 0.609895 1 S S134 1 0.666800 0.166632 0.610114 1 S S135 1 0.750145 0.291689 0.609954 1 S S136 1 0.833288 0.416807 0.609810 1 S S137 1 0.916297 0.541738 0.610712 1 S S138 1 -0.000383 0.665953 0.614369 1 S S139 1 0.749972 0.041763 0.610229 1 S S140 1 0.833611 0.166629 0.609830 1 S S141 1 0.916703 0.291646 0.609604 1 S S142 1 -0.000141 0.416517 0.610100 1 S S143 1 0.916873 0.041859 0.610707 1 S S144 1 0.000098 0.166657 0.609594 1