# 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 -0.000002 0.738286 0.500001 1 W W2 1 0.084727 0.879769 0.499999 1 W W3 1 0.000000 0.497383 0.500004 1 W W4 1 0.084195 0.624206 0.500002 1 W W5 1 0.168901 0.749385 0.499999 1 W W6 1 0.249587 0.875792 0.499996 1 W W7 1 0.000000 0.249477 0.500001 1 W W8 1 0.083074 0.374684 0.500002 1 W W9 1 0.167059 0.499312 0.500003 1 W W10 1 0.248915 0.625573 0.500002 1 W W11 1 0.331862 0.750990 0.499998 1 W W12 1 0.416486 0.875758 0.499997 1 W W13 1 0.000000 0.000531 0.500000 1 W W14 1 0.083968 0.125615 0.499999 1 W W15 1 0.167665 0.249204 0.500000 1 W W16 1 0.250746 0.375255 0.500000 1 W W17 1 0.332833 0.499493 0.500001 1 W W18 1 0.416651 0.626000 0.500000 1 W W19 1 0.500000 0.750088 0.499997 1 W W20 1 0.583515 0.875758 0.499999 1 W W21 1 0.167729 -0.000661 0.499998 1 W W22 1 0.250174 0.125482 0.499998 1 W W23 1 0.332806 0.249943 0.500001 1 W W24 1 0.415726 0.375650 0.500001 1 W W25 1 0.500000 0.500468 0.499999 1 W W26 1 0.583350 0.626000 0.499999 1 W W27 1 0.668138 0.750990 0.499999 1 W W28 1 0.750413 0.875792 0.500000 1 W W29 1 0.333043 0.000001 0.499996 1 W W30 1 0.416939 0.125852 0.499998 1 W W31 1 0.500000 0.249469 0.500000 1 W W32 1 0.584274 0.375650 0.500000 1 W W33 1 0.667167 0.499493 0.499998 1 W W34 1 0.751086 0.625573 0.499999 1 W W35 1 0.831100 0.749385 0.500000 1 W W36 1 0.915272 0.879770 0.500000 1 W W37 1 0.500000 0.000239 0.499998 1 W W38 1 0.583061 0.125852 0.499999 1 W W39 1 0.667194 0.249943 0.500001 1 W W40 1 0.749253 0.375256 0.499999 1 W W41 1 0.832941 0.499312 0.500000 1 W W42 1 0.915805 0.624206 0.500002 1 W W43 1 0.666956 0.000001 0.500000 1 W W44 1 0.749826 0.125482 0.500001 1 W W45 1 0.832334 0.249205 0.500000 1 W W46 1 0.916926 0.374684 0.500000 1 W W47 1 0.832271 -0.000662 0.500001 1 W W48 1 0.916032 0.125615 0.500000 1 S S49 1 0.079212 0.791287 0.395828 1 S S50 1 0.167635 0.917053 0.386988 1 S S51 1 0.083278 0.540532 0.390021 1 S S52 1 0.166231 0.666827 0.388883 1 S S53 1 0.249406 0.792660 0.388136 1 S S54 1 0.333336 0.916850 0.389192 1 S S55 1 0.083854 0.291144 0.389722 1 S S56 1 0.166802 0.415998 0.389254 1 S S57 1 0.249947 0.542010 0.389287 1 S S58 1 0.332754 0.667085 0.389540 1 S S59 1 0.416160 0.792106 0.389846 1 S S60 1 0.500000 0.916995 0.389405 1 S S61 1 0.083901 0.042128 0.389720 1 S S62 1 0.167084 0.166402 0.388771 1 S S63 1 0.250081 0.291904 0.389038 1 S S64 1 0.333238 0.416815 0.388591 1 S S65 1 0.416226 0.542251 0.389910 1 S S66 1 0.500000 0.667147 0.389334 1 S S67 1 0.583840 0.792106 0.389845 1 S S68 1 0.666664 0.916850 0.389190 1 S S69 1 0.250237 0.042033 0.389329 1 S S70 1 0.333458 0.166781 0.388931 1 S S71 1 0.416538 0.291893 0.389805 1 S S72 1 0.500000 0.416867 0.389903 1 S S73 1 0.583775 0.542251 0.389911 1 S S74 1 0.667245 0.667084 0.389541 1 S S75 1 0.750595 0.792659 0.388136 1 S S76 1 0.832365 0.917053 0.386986 1 S S77 1 0.416459 0.042140 0.389664 1 S S78 1 0.500000 0.166807 0.388874 1 S S79 1 0.583462 0.291893 0.389806 1 S S80 1 0.666762 0.416815 0.388593 1 S S81 1 0.750053 0.542010 0.389289 1 S S82 1 0.833769 0.666827 0.388883 1 S S83 1 0.920787 0.791288 0.395826 1 S S84 1 0.000000 0.917905 0.389536 1 S S85 1 0.583541 0.042140 0.389663 1 S S86 1 0.666541 0.166782 0.388929 1 S S87 1 0.749919 0.291904 0.389040 1 S S88 1 0.833198 0.415998 0.389256 1 S S89 1 0.916721 0.540532 0.390022 1 S S90 1 0.000000 0.660728 0.385118 1 S S91 1 0.749763 0.042033 0.389327 1 S S92 1 0.832916 0.166403 0.388770 1 S S93 1 0.916146 0.291144 0.389723 1 S S94 1 -0.000000 0.415123 0.388488 1 S S95 1 0.916099 0.042128 0.389719 1 S S96 1 -0.000000 0.166371 0.389472 1 S S97 1 0.079212 0.791287 0.604174 1 S S98 1 0.167636 0.917053 0.613014 1 S S99 1 0.083279 0.540532 0.609979 1 S S100 1 0.166232 0.666827 0.611117 1 S S101 1 0.249405 0.792659 0.611867 1 S S102 1 0.333336 0.916850 0.610813 1 S S103 1 0.083855 0.291143 0.610278 1 S S104 1 0.166803 0.415998 0.610744 1 S S105 1 0.249948 0.542009 0.610710 1 S S106 1 0.332755 0.667084 0.610460 1 S S107 1 0.416160 0.792105 0.610157 1 S S108 1 0.500000 0.916996 0.610597 1 S S109 1 0.083901 0.042129 0.610282 1 S S110 1 0.167084 0.166402 0.611230 1 S S111 1 0.250081 0.291905 0.610960 1 S S112 1 0.333239 0.416817 0.611402 1 S S113 1 0.416226 0.542250 0.610086 1 S S114 1 0.500000 0.667147 0.610665 1 S S115 1 0.583841 0.792105 0.610157 1 S S116 1 0.666665 0.916851 0.610810 1 S S117 1 0.250237 0.042033 0.610674 1 S S118 1 0.333459 0.166782 0.611070 1 S S119 1 0.416539 0.291894 0.610194 1 S S120 1 0.500000 0.416868 0.610096 1 S S121 1 0.583774 0.542250 0.610087 1 S S122 1 0.667245 0.667084 0.610460 1 S S123 1 0.750595 0.792659 0.611866 1 S S124 1 0.832364 0.917053 0.613013 1 S S125 1 0.416459 0.042140 0.610339 1 S S126 1 0.500000 0.166807 0.611126 1 S S127 1 0.583461 0.291894 0.610195 1 S S128 1 0.666761 0.416817 0.611404 1 S S129 1 0.750052 0.542009 0.610711 1 S S130 1 0.833768 0.666827 0.611117 1 S S131 1 0.920787 0.791288 0.604174 1 S S132 1 -0.000000 0.917905 0.610467 1 S S133 1 0.583542 0.042140 0.610338 1 S S134 1 0.666541 0.166782 0.611070 1 S S135 1 0.749919 0.291904 0.610962 1 S S136 1 0.833197 0.415998 0.610746 1 S S137 1 0.916722 0.540532 0.609980 1 S S138 1 0.000000 0.660728 0.614884 1 S S139 1 0.749763 0.042034 0.610671 1 S S140 1 0.832915 0.166402 0.611229 1 S S141 1 0.916145 0.291143 0.610279 1 S S142 1 0.000000 0.415123 0.611514 1 S S143 1 0.916099 0.042129 0.610281 1 S S144 1 -0.000000 0.166371 0.610524 1