# 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 0.750041 0.500000 1 W W2 1 0.083900 0.875096 0.500000 1 W W3 1 -0.000000 0.500049 0.500000 1 W W4 1 0.083200 0.624544 0.500000 1 W W5 1 0.167116 0.750354 0.500000 1 W W6 1 0.250050 0.874944 0.500000 1 W W7 1 -0.000000 0.250172 0.500000 1 W W8 1 0.083345 0.375280 0.500000 1 W W9 1 0.166799 0.500323 0.500000 1 W W10 1 0.249840 0.625131 0.500000 1 W W11 1 0.333217 0.749726 0.500000 1 W W12 1 0.416585 0.874698 0.500000 1 W W13 1 -0.000000 -0.000200 0.500000 1 W W14 1 0.083207 0.124960 0.500000 1 W W15 1 0.166556 0.250120 0.500000 1 W W16 1 0.249982 0.375234 0.500000 1 W W17 1 0.333293 0.500194 0.500000 1 W W18 1 0.416617 0.625001 0.500000 1 W W19 1 0.500000 0.749737 0.500000 1 W W20 1 0.583415 0.874698 0.500000 1 W W21 1 0.166312 -0.000077 0.500000 1 W W22 1 0.249761 0.124935 0.500000 1 W W23 1 0.333198 0.250037 0.500000 1 W W24 1 0.416634 0.375152 0.500000 1 W W25 1 0.500000 0.500123 0.500000 1 W W26 1 0.583383 0.625001 0.500000 1 W W27 1 0.666783 0.749726 0.500000 1 W W28 1 0.749950 0.874944 0.500000 1 W W29 1 0.333109 -0.000208 0.500000 1 W W30 1 0.416563 0.124820 0.500000 1 W W31 1 0.500000 0.250011 0.500000 1 W W32 1 0.583366 0.375152 0.500000 1 W W33 1 0.666707 0.500194 0.500000 1 W W34 1 0.750160 0.625131 0.500000 1 W W35 1 0.832884 0.750354 0.500000 1 W W36 1 0.916100 0.875096 0.500000 1 W W37 1 0.500000 -0.000286 0.500000 1 W W38 1 0.583437 0.124820 0.500000 1 W W39 1 0.666802 0.250037 0.500000 1 W W40 1 0.750018 0.375234 0.500000 1 W W41 1 0.833201 0.500323 0.500000 1 W W42 1 0.916800 0.624544 0.500000 1 W W43 1 0.666891 -0.000208 0.500000 1 W W44 1 0.750239 0.124935 0.500000 1 W W45 1 0.833444 0.250120 0.500000 1 W W46 1 0.916655 0.375280 0.500000 1 W W47 1 0.833688 -0.000077 0.500000 1 W W48 1 0.916793 0.124960 0.500000 1 S S49 1 0.082791 0.791363 0.391068 1 S S50 1 0.166923 0.916617 0.388999 1 S S51 1 0.083223 0.541524 0.388997 1 S S52 1 0.166395 0.666824 0.389209 1 S S53 1 0.250188 0.791809 0.388988 1 S S54 1 0.333372 0.916515 0.389201 1 S S55 1 0.083302 0.291873 0.389397 1 S S56 1 0.166666 0.416954 0.389327 1 S S57 1 0.250016 0.541869 0.389142 1 S S58 1 0.333258 0.666579 0.389120 1 S S59 1 0.416614 0.791407 0.389253 1 S S60 1 0.500000 0.916335 0.389350 1 S S61 1 0.083169 0.041598 0.389173 1 S S62 1 0.166510 0.166684 0.389403 1 S S63 1 0.249887 0.291820 0.389489 1 S S64 1 0.333289 0.416862 0.389381 1 S S65 1 0.416648 0.541752 0.389267 1 S S66 1 0.500000 0.666558 0.389181 1 S S67 1 0.583386 0.791407 0.389253 1 S S68 1 0.666628 0.916515 0.389201 1 S S69 1 0.249746 0.041512 0.389363 1 S S70 1 0.333173 0.166578 0.389545 1 S S71 1 0.416599 0.291734 0.389587 1 S S72 1 0.500000 0.416810 0.389439 1 S S73 1 0.583352 0.541752 0.389267 1 S S74 1 0.666742 0.666579 0.389120 1 S S75 1 0.749812 0.791809 0.388988 1 S S76 1 0.833077 0.916617 0.388999 1 S S77 1 0.416569 0.041410 0.389473 1 S S78 1 0.500000 0.166533 0.389620 1 S S79 1 0.583401 0.291734 0.389587 1 S S80 1 0.666711 0.416862 0.389381 1 S S81 1 0.749984 0.541869 0.389142 1 S S82 1 0.833605 0.666824 0.389209 1 S S83 1 0.917209 0.791363 0.391068 1 S S84 1 0.000000 0.916350 0.389220 1 S S85 1 0.583431 0.041410 0.389473 1 S S86 1 0.666827 0.166578 0.389545 1 S S87 1 0.750113 0.291820 0.389489 1 S S88 1 0.833334 0.416954 0.389327 1 S S89 1 0.916777 0.541524 0.388997 1 S S90 1 0.000000 0.667257 0.391094 1 S S91 1 0.750254 0.041512 0.389363 1 S S92 1 0.833490 0.166684 0.389403 1 S S93 1 0.916698 0.291873 0.389397 1 S S94 1 0.000000 0.416772 0.389207 1 S S95 1 0.916831 0.041598 0.389173 1 S S96 1 0.000000 0.166742 0.389351 1 S S97 1 0.082791 0.791363 0.608932 1 S S98 1 0.166923 0.916617 0.611001 1 S S99 1 0.083223 0.541524 0.611003 1 S S100 1 0.166395 0.666824 0.610791 1 S S101 1 0.250188 0.791809 0.611012 1 S S102 1 0.333372 0.916515 0.610799 1 S S103 1 0.083302 0.291873 0.610603 1 S S104 1 0.166666 0.416954 0.610673 1 S S105 1 0.250016 0.541869 0.610858 1 S S106 1 0.333258 0.666579 0.610880 1 S S107 1 0.416614 0.791407 0.610747 1 S S108 1 0.500000 0.916335 0.610650 1 S S109 1 0.083169 0.041598 0.610827 1 S S110 1 0.166510 0.166684 0.610597 1 S S111 1 0.249887 0.291820 0.610511 1 S S112 1 0.333289 0.416862 0.610619 1 S S113 1 0.416648 0.541752 0.610733 1 S S114 1 0.500000 0.666558 0.610819 1 S S115 1 0.583386 0.791407 0.610747 1 S S116 1 0.666628 0.916515 0.610799 1 S S117 1 0.249746 0.041512 0.610637 1 S S118 1 0.333173 0.166578 0.610456 1 S S119 1 0.416599 0.291734 0.610413 1 S S120 1 0.500000 0.416810 0.610561 1 S S121 1 0.583352 0.541752 0.610733 1 S S122 1 0.666742 0.666579 0.610880 1 S S123 1 0.749812 0.791809 0.611012 1 S S124 1 0.833077 0.916617 0.611001 1 S S125 1 0.416569 0.041410 0.610527 1 S S126 1 0.500000 0.166533 0.610380 1 S S127 1 0.583401 0.291734 0.610413 1 S S128 1 0.666711 0.416862 0.610619 1 S S129 1 0.749984 0.541869 0.610858 1 S S130 1 0.833605 0.666824 0.610791 1 S S131 1 0.917209 0.791363 0.608932 1 S S132 1 -0.000000 0.916350 0.610780 1 S S133 1 0.583431 0.041410 0.610527 1 S S134 1 0.666827 0.166578 0.610456 1 S S135 1 0.750113 0.291820 0.610511 1 S S136 1 0.833334 0.416954 0.610673 1 S S137 1 0.916777 0.541524 0.611003 1 S S138 1 -0.000000 0.667257 0.608906 1 S S139 1 0.750254 0.041512 0.610637 1 S S140 1 0.833490 0.166684 0.610597 1 S S141 1 0.916698 0.291873 0.610603 1 S S142 1 0.000000 0.416772 0.610793 1 S S143 1 0.916831 0.041598 0.610827 1 S S144 1 -0.000000 0.166742 0.610649 1