# 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 0.738023 0.500000 1 W W2 1 0.084246 0.879593 0.499999 1 W W3 1 0.000000 0.497681 0.499997 1 W W4 1 0.083931 0.624013 0.499996 1 W W5 1 0.168487 0.749520 0.499999 1 W W6 1 0.249413 0.875799 0.500000 1 W W7 1 -0.000000 0.249493 0.499993 1 W W8 1 0.083239 0.374488 0.499990 1 W W9 1 0.166842 0.499356 0.499992 1 W W10 1 0.248970 0.625560 0.499994 1 W W11 1 0.332088 0.750989 0.500000 1 W W12 1 0.416588 0.875659 0.500002 1 W W13 1 0.000000 0.000781 0.499998 1 W W14 1 0.083747 0.125583 0.499996 1 W W15 1 0.167256 0.249387 0.499993 1 W W16 1 0.250510 0.375158 0.499989 1 W W17 1 0.333075 0.499688 0.499991 1 W W18 1 0.416482 0.625778 0.499997 1 W W19 1 0.500000 0.750289 0.500001 1 W W20 1 0.583412 0.875659 0.500003 1 W W21 1 0.167515 -0.000578 0.499998 1 W W22 1 0.250262 0.125383 0.499996 1 W W23 1 0.333022 0.249957 0.499994 1 W W24 1 0.416112 0.375628 0.499995 1 W W25 1 0.500000 0.500472 0.499995 1 W W26 1 0.583518 0.625778 0.499998 1 W W27 1 0.667913 0.750989 0.500002 1 W W28 1 0.750587 0.875799 0.500002 1 W W29 1 0.333290 0.000113 0.500000 1 W W30 1 0.416833 0.125588 0.499999 1 W W31 1 0.500000 0.249804 0.499998 1 W W32 1 0.583888 0.375628 0.499997 1 W W33 1 0.666925 0.499688 0.499996 1 W W34 1 0.751031 0.625560 0.499998 1 W W35 1 0.831513 0.749520 0.500000 1 W W36 1 0.915754 0.879593 0.500000 1 W W37 1 0.500000 0.000180 0.500003 1 W W38 1 0.583167 0.125589 0.499999 1 W W39 1 0.666979 0.249957 0.499998 1 W W40 1 0.749489 0.375159 0.499996 1 W W41 1 0.833159 0.499356 0.499996 1 W W42 1 0.916069 0.624013 0.499998 1 W W43 1 0.666710 0.000113 0.500002 1 W W44 1 0.749738 0.125382 0.500001 1 W W45 1 0.832743 0.249386 0.499996 1 W W46 1 0.916761 0.374488 0.499993 1 W W47 1 0.832485 -0.000578 0.500001 1 W W48 1 0.916253 0.125583 0.499999 1 S S49 1 0.078823 0.791078 0.395844 1 S S50 1 0.167352 0.917057 0.387307 1 S S51 1 0.083215 0.540500 0.389892 1 S S52 1 0.166125 0.666887 0.389169 1 S S53 1 0.249321 0.792646 0.388478 1 S S54 1 0.333290 0.916886 0.389474 1 S S55 1 0.083641 0.291137 0.389603 1 S S56 1 0.166740 0.416107 0.389405 1 S S57 1 0.249921 0.541991 0.389508 1 S S58 1 0.332759 0.667173 0.389736 1 S S59 1 0.416239 0.792105 0.389807 1 S S60 1 0.500000 0.916966 0.389422 1 S S61 1 0.083862 0.042187 0.389709 1 S S62 1 0.167042 0.166464 0.389126 1 S S63 1 0.250021 0.291818 0.389341 1 S S64 1 0.333247 0.416813 0.389054 1 S S65 1 0.416350 0.542201 0.389814 1 S S66 1 0.500000 0.667132 0.389635 1 S S67 1 0.583761 0.792106 0.389807 1 S S68 1 0.666710 0.916886 0.389473 1 S S69 1 0.250249 0.041973 0.389479 1 S S70 1 0.333493 0.166808 0.389179 1 S S71 1 0.416589 0.291960 0.389826 1 S S72 1 0.499999 0.416992 0.389776 1 S S73 1 0.583650 0.542201 0.389813 1 S S74 1 0.667242 0.667173 0.389735 1 S S75 1 0.750680 0.792646 0.388477 1 S S76 1 0.832648 0.917057 0.387307 1 S S77 1 0.416640 0.042056 0.389593 1 S S78 1 0.500000 0.166850 0.389267 1 S S79 1 0.583411 0.291960 0.389824 1 S S80 1 0.666752 0.416814 0.389052 1 S S81 1 0.750080 0.541991 0.389507 1 S S82 1 0.833875 0.666887 0.389168 1 S S83 1 0.921177 0.791079 0.395844 1 S S84 1 0.000000 0.918177 0.389517 1 S S85 1 0.583360 0.042055 0.389592 1 S S86 1 0.666506 0.166808 0.389177 1 S S87 1 0.749980 0.291818 0.389338 1 S S88 1 0.833259 0.416106 0.389405 1 S S89 1 0.916785 0.540500 0.389892 1 S S90 1 0.000000 0.660571 0.385023 1 S S91 1 0.749751 0.041972 0.389477 1 S S92 1 0.832959 0.166464 0.389124 1 S S93 1 0.916359 0.291138 0.389601 1 S S94 1 0.000000 0.415176 0.388888 1 S S95 1 0.916138 0.042187 0.389708 1 S S96 1 0.000000 0.166435 0.389438 1 S S97 1 0.078822 0.791079 0.604155 1 S S98 1 0.167351 0.917057 0.612690 1 S S99 1 0.083216 0.540501 0.610116 1 S S100 1 0.166125 0.666888 0.610835 1 S S101 1 0.249321 0.792646 0.611522 1 S S102 1 0.333290 0.916886 0.610524 1 S S103 1 0.083642 0.291136 0.610409 1 S S104 1 0.166742 0.416108 0.610604 1 S S105 1 0.249921 0.541990 0.610496 1 S S106 1 0.332759 0.667174 0.610267 1 S S107 1 0.416239 0.792106 0.610191 1 S S108 1 0.500000 0.916966 0.610577 1 S S109 1 0.083862 0.042187 0.610292 1 S S110 1 0.167041 0.166463 0.610880 1 S S111 1 0.250021 0.291819 0.610667 1 S S112 1 0.333247 0.416814 0.610954 1 S S113 1 0.416350 0.542201 0.610191 1 S S114 1 0.500000 0.667133 0.610366 1 S S115 1 0.583761 0.792106 0.610191 1 S S116 1 0.666710 0.916886 0.610523 1 S S117 1 0.250249 0.041972 0.610522 1 S S118 1 0.333494 0.166807 0.610825 1 S S119 1 0.416589 0.291960 0.610182 1 S S120 1 0.499999 0.416993 0.610227 1 S S121 1 0.583650 0.542201 0.610190 1 S S122 1 0.667242 0.667174 0.610266 1 S S123 1 0.750680 0.792646 0.611521 1 S S124 1 0.832649 0.917057 0.612689 1 S S125 1 0.416640 0.042055 0.610406 1 S S126 1 0.500000 0.166849 0.610734 1 S S127 1 0.583411 0.291961 0.610179 1 S S128 1 0.666752 0.416814 0.610953 1 S S129 1 0.750079 0.541990 0.610494 1 S S130 1 0.833875 0.666887 0.610834 1 S S131 1 0.921178 0.791079 0.604155 1 S S132 1 0.000000 0.918177 0.610482 1 S S133 1 0.583361 0.042055 0.610406 1 S S134 1 0.666506 0.166807 0.610823 1 S S135 1 0.749979 0.291818 0.610666 1 S S136 1 0.833259 0.416108 0.610601 1 S S137 1 0.916784 0.540501 0.610115 1 S S138 1 0.000000 0.660573 0.614980 1 S S139 1 0.749751 0.041972 0.610521 1 S S140 1 0.832959 0.166463 0.610878 1 S S141 1 0.916358 0.291137 0.610406 1 S S142 1 -0.000000 0.415176 0.611124 1 S S143 1 0.916138 0.042187 0.610291 1 S S144 1 -0.000000 0.166434 0.610567 1