# 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 0.749997 0.500000 1 W W2 1 0.084249 0.876879 0.500000 1 W W3 1 0.000000 0.499401 0.500000 1 W W4 1 0.084736 0.623383 0.500000 1 W W5 1 0.168980 0.749775 0.500000 1 W W6 1 0.250558 0.875318 0.500000 1 W W7 1 0.000000 0.249820 0.500000 1 W W8 1 0.083404 0.374640 0.500000 1 W W9 1 0.166405 0.499742 0.500000 1 W W10 1 0.250199 0.624921 0.500000 1 W W11 1 0.333430 0.750353 0.500000 1 W W12 1 0.416909 0.875197 0.500000 1 W W13 1 0.000000 0.000173 0.500000 1 W W14 1 0.083432 0.124999 0.500000 1 W W15 1 0.166718 0.249854 0.500000 1 W W16 1 0.250030 0.374845 0.500000 1 W W17 1 0.333371 0.499902 0.500000 1 W W18 1 0.416767 0.625091 0.500000 1 W W19 1 0.500000 0.750138 0.500000 1 W W20 1 0.583091 0.875197 0.500000 1 W W21 1 0.167033 -0.000079 0.500000 1 W W22 1 0.250119 0.125048 0.500000 1 W W23 1 0.333354 0.249975 0.500000 1 W W24 1 0.416660 0.374971 0.500000 1 W W25 1 0.500000 0.500053 0.500000 1 W W26 1 0.583233 0.625091 0.500000 1 W W27 1 0.666570 0.750353 0.500000 1 W W28 1 0.749442 0.875318 0.500000 1 W W29 1 0.333572 0.000236 0.500000 1 W W30 1 0.416738 0.125098 0.500000 1 W W31 1 0.500000 0.250014 0.500000 1 W W32 1 0.583340 0.374971 0.500000 1 W W33 1 0.666629 0.499902 0.500000 1 W W34 1 0.749801 0.624921 0.500000 1 W W35 1 0.831020 0.749775 0.500000 1 W W36 1 0.915751 0.876879 0.500000 1 W W37 1 0.500000 0.000136 0.500000 1 W W38 1 0.583262 0.125098 0.500000 1 W W39 1 0.666646 0.249975 0.500000 1 W W40 1 0.749970 0.374845 0.500000 1 W W41 1 0.833595 0.499742 0.500000 1 W W42 1 0.915264 0.623383 0.500000 1 W W43 1 0.666428 0.000236 0.500000 1 W W44 1 0.749881 0.125048 0.500000 1 W W45 1 0.833282 0.249854 0.500000 1 W W46 1 0.916596 0.374640 0.500000 1 W W47 1 0.832967 -0.000079 0.500000 1 W W48 1 0.916568 0.124999 0.500000 1 S S49 1 0.083380 0.791710 0.391292 1 S S50 1 0.167481 0.916886 0.388625 1 S S51 1 0.083132 0.540942 0.388637 1 S S52 1 0.166937 0.666545 0.389484 1 S S53 1 0.250607 0.792195 0.388625 1 S S54 1 0.333776 0.916958 0.389240 1 S S55 1 0.083366 0.291431 0.389235 1 S S56 1 0.166664 0.416471 0.389274 1 S S57 1 0.250026 0.541514 0.389317 1 S S58 1 0.333491 0.666763 0.389298 1 S S59 1 0.416774 0.791833 0.389245 1 S S60 1 0.500000 0.916841 0.389153 1 S S61 1 0.083475 0.041728 0.389288 1 S S62 1 0.166736 0.166587 0.389256 1 S S63 1 0.250003 0.291574 0.389261 1 S S64 1 0.333320 0.416607 0.389293 1 S S65 1 0.416644 0.541726 0.389334 1 S S66 1 0.500000 0.666794 0.389285 1 S S67 1 0.583226 0.791833 0.389245 1 S S68 1 0.666224 0.916958 0.389240 1 S S69 1 0.250156 0.041743 0.389246 1 S S70 1 0.333389 0.166685 0.389253 1 S S71 1 0.416664 0.291662 0.389272 1 S S72 1 0.500000 0.416692 0.389312 1 S S73 1 0.583356 0.541726 0.389334 1 S S74 1 0.666509 0.666763 0.389298 1 S S75 1 0.749393 0.792195 0.388625 1 S S76 1 0.832519 0.916885 0.388625 1 S S77 1 0.416769 0.041816 0.389205 1 S S78 1 0.500000 0.166731 0.389234 1 S S79 1 0.583336 0.291662 0.389272 1 S S80 1 0.666680 0.416607 0.389293 1 S S81 1 0.749974 0.541514 0.389317 1 S S82 1 0.833063 0.666545 0.389484 1 S S83 1 0.916620 0.791710 0.391292 1 S S84 1 0.000000 0.916923 0.389457 1 S S85 1 0.583231 0.041816 0.389205 1 S S86 1 0.666611 0.166685 0.389253 1 S S87 1 0.749997 0.291574 0.389261 1 S S88 1 0.833336 0.416471 0.389274 1 S S89 1 0.916868 0.540942 0.388637 1 S S90 1 0.000000 0.666615 0.391280 1 S S91 1 0.749844 0.041743 0.389246 1 S S92 1 0.833264 0.166587 0.389256 1 S S93 1 0.916634 0.291431 0.389235 1 S S94 1 0.000000 0.416129 0.389274 1 S S95 1 0.916525 0.041727 0.389288 1 S S96 1 0.000000 0.166530 0.389305 1 S S97 1 0.083380 0.791710 0.608708 1 S S98 1 0.167481 0.916886 0.611375 1 S S99 1 0.083132 0.540942 0.611363 1 S S100 1 0.166937 0.666545 0.610516 1 S S101 1 0.250607 0.792195 0.611375 1 S S102 1 0.333776 0.916958 0.610760 1 S S103 1 0.083366 0.291431 0.610765 1 S S104 1 0.166664 0.416471 0.610726 1 S S105 1 0.250026 0.541514 0.610683 1 S S106 1 0.333491 0.666763 0.610702 1 S S107 1 0.416774 0.791833 0.610755 1 S S108 1 0.500000 0.916841 0.610847 1 S S109 1 0.083475 0.041728 0.610712 1 S S110 1 0.166736 0.166587 0.610744 1 S S111 1 0.250003 0.291574 0.610739 1 S S112 1 0.333320 0.416607 0.610707 1 S S113 1 0.416644 0.541726 0.610666 1 S S114 1 0.500000 0.666794 0.610715 1 S S115 1 0.583226 0.791833 0.610755 1 S S116 1 0.666224 0.916958 0.610760 1 S S117 1 0.250156 0.041743 0.610753 1 S S118 1 0.333389 0.166685 0.610747 1 S S119 1 0.416664 0.291662 0.610728 1 S S120 1 0.500000 0.416692 0.610688 1 S S121 1 0.583356 0.541726 0.610666 1 S S122 1 0.666509 0.666763 0.610702 1 S S123 1 0.749393 0.792195 0.611375 1 S S124 1 0.832519 0.916885 0.611375 1 S S125 1 0.416769 0.041816 0.610795 1 S S126 1 0.500000 0.166731 0.610766 1 S S127 1 0.583336 0.291662 0.610728 1 S S128 1 0.666680 0.416607 0.610707 1 S S129 1 0.749974 0.541514 0.610683 1 S S130 1 0.833063 0.666545 0.610516 1 S S131 1 0.916620 0.791710 0.608708 1 S S132 1 0.000000 0.916923 0.610543 1 S S133 1 0.583231 0.041816 0.610795 1 S S134 1 0.666611 0.166685 0.610747 1 S S135 1 0.749997 0.291574 0.610739 1 S S136 1 0.833336 0.416471 0.610726 1 S S137 1 0.916868 0.540942 0.611363 1 S S138 1 0.000000 0.666615 0.608720 1 S S139 1 0.749844 0.041743 0.610754 1 S S140 1 0.833264 0.166587 0.610744 1 S S141 1 0.916634 0.291431 0.610765 1 S S142 1 0.000000 0.416129 0.610726 1 S S143 1 0.916525 0.041728 0.610712 1 S S144 1 -0.000000 0.166530 0.610695 1