# generated using pymatgen data_RhW47S96 _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 RhW47S96 _chemical_formula_sum 'Rh1 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 Rh Rh1 1 0.969823 0.734742 0.500155 1 W W2 1 0.084087 0.875786 0.499928 1 W W3 1 0.000428 0.497785 0.500008 1 W W4 1 0.088000 0.619590 0.500014 1 W W5 1 0.168023 0.750065 0.499924 1 W W6 1 0.251369 0.875820 0.499982 1 W W7 1 1.000031 0.249129 0.499997 1 W W8 1 0.083764 0.373554 0.499998 1 W W9 1 0.166331 0.498344 0.499997 1 W W10 1 0.250864 0.625201 0.499988 1 W W11 1 0.334329 0.750930 0.499995 1 W W12 1 0.417298 0.876024 0.500003 1 W W13 1 0.000646 0.000255 0.499987 1 W W14 1 0.083889 0.124911 0.499997 1 W W15 1 0.167183 0.249368 0.499999 1 W W16 1 0.250425 0.374195 0.499998 1 W W17 1 0.333564 0.499996 0.499997 1 W W18 1 0.417419 0.625498 0.499996 1 W W19 1 0.500150 0.750833 0.499999 1 W W20 1 0.582936 0.876164 0.500002 1 W W21 1 0.167883 0.000302 0.499997 1 W W22 1 0.250754 0.125183 0.500004 1 W W23 1 0.333720 0.249990 0.500003 1 W W24 1 0.416889 0.375242 0.500001 1 W W25 1 0.500200 0.500378 0.499998 1 W W26 1 0.583786 0.625637 0.499998 1 W W27 1 0.665707 0.750899 0.500002 1 W W28 1 0.748588 0.876449 0.500006 1 W W29 1 0.334297 0.000702 0.500007 1 W W30 1 0.417131 0.125570 0.500008 1 W W31 1 0.500090 0.250469 0.500005 1 W W32 1 0.583433 0.375375 0.500000 1 W W33 1 0.667022 0.500157 0.499999 1 W W34 1 0.750545 0.625277 0.500008 1 W W35 1 0.830374 0.754044 0.500034 1 W W36 1 0.913855 0.880977 0.500012 1 W W37 1 0.500112 1.000874 0.500006 1 W W38 1 0.583186 0.125756 0.500004 1 W W39 1 0.666400 0.250190 0.500002 1 W W40 1 0.749810 0.374483 0.500000 1 W W41 1 0.833269 0.498602 0.500003 1 W W42 1 0.919249 0.620511 0.500037 1 W W43 1 0.666113 0.001159 0.500000 1 W W44 1 0.749411 0.125564 0.499998 1 W W45 1 0.833161 0.249551 0.499998 1 W W46 1 0.916729 0.373653 0.500001 1 W W47 1 0.831884 0.000394 0.499995 1 W W48 1 0.916601 0.124804 0.499995 1 S S49 1 0.085916 0.792799 0.389100 1 S S50 1 0.167650 0.917051 0.389512 1 S S51 1 0.083854 0.538334 0.387229 1 S S52 1 0.167791 0.666910 0.389947 1 S S53 1 0.250969 0.792311 0.389540 1 S S54 1 0.334222 0.917523 0.389064 1 S S55 1 0.083588 0.290529 0.389229 1 S S56 1 0.167041 0.415341 0.389203 1 S S57 1 0.250111 0.541319 0.389601 1 S S58 1 0.334129 0.667145 0.389389 1 S S59 1 0.417087 0.792610 0.389178 1 S S60 1 0.500090 0.917706 0.389013 1 S S61 1 0.084027 0.041759 0.389273 1 S S62 1 0.167219 0.166310 0.389198 1 S S63 1 0.250376 0.291159 0.389161 1 S S64 1 0.333453 0.416691 0.389408 1 S S65 1 0.416852 0.542078 0.389483 1 S S66 1 0.500505 0.667363 0.389331 1 S S67 1 0.582863 0.792698 0.389172 1 S S68 1 0.665791 0.917961 0.389101 1 S S69 1 0.250806 0.041932 0.389200 1 S S70 1 0.333834 0.166875 0.389169 1 S S71 1 0.416820 0.292018 0.389255 1 S S72 1 0.500118 0.417095 0.389324 1 S S73 1 0.583673 0.542128 0.389501 1 S S74 1 0.667255 0.667174 0.389462 1 S S75 1 0.747721 0.793192 0.388402 1 S S76 1 0.830721 0.918615 0.387104 1 S S77 1 0.417133 0.042426 0.389061 1 S S78 1 0.500108 0.167322 0.389143 1 S S79 1 0.583292 0.292133 0.389262 1 S S80 1 0.666810 0.416838 0.389321 1 S S81 1 0.750482 0.541823 0.389497 1 S S82 1 0.834544 0.667162 0.390953 1 S S83 1 0.913510 0.796027 0.390497 1 S S84 1 0.000900 0.917107 0.389869 1 S S85 1 0.583127 0.042609 0.389086 1 S S86 1 0.666347 0.167163 0.389073 1 S S87 1 0.749849 0.291343 0.389219 1 S S88 1 0.833304 0.415489 0.389245 1 S S89 1 0.916804 0.538881 0.388485 1 S S90 1 0.002921 0.661827 0.390538 1 S S91 1 0.749362 0.042543 0.389073 1 S S92 1 0.833228 0.166413 0.389296 1 S S93 1 0.916646 0.290650 0.389176 1 S S94 1 0.000253 0.414839 0.389217 1 S S95 1 0.916526 0.041675 0.389463 1 S S96 1 1.000187 0.166029 0.389322 1 S S97 1 0.085750 0.792713 0.610601 1 S S98 1 0.167623 0.917026 0.610431 1 S S99 1 0.083863 0.538326 0.612785 1 S S100 1 0.167798 0.666940 0.609999 1 S S101 1 0.250930 0.792302 0.610399 1 S S102 1 0.334211 0.917515 0.610930 1 S S103 1 0.083586 0.290528 0.610771 1 S S104 1 0.167041 0.415342 0.610798 1 S S105 1 0.250112 0.541327 0.610389 1 S S106 1 0.334124 0.667144 0.610595 1 S S107 1 0.417080 0.792607 0.610817 1 S S108 1 0.500087 0.917703 0.610994 1 S S109 1 0.084022 0.041755 0.610710 1 S S110 1 0.167214 0.166309 0.610802 1 S S111 1 0.250372 0.291159 0.610845 1 S S112 1 0.333452 0.416694 0.610596 1 S S113 1 0.416851 0.542079 0.610513 1 S S114 1 0.500503 0.667362 0.610663 1 S S115 1 0.582858 0.792697 0.610830 1 S S116 1 0.665787 0.917964 0.610905 1 S S117 1 0.250799 0.041927 0.610800 1 S S118 1 0.333831 0.166874 0.610843 1 S S119 1 0.416819 0.292020 0.610756 1 S S120 1 0.500119 0.417097 0.610678 1 S S121 1 0.583672 0.542128 0.610495 1 S S122 1 0.667248 0.667174 0.610542 1 S S123 1 0.747697 0.793198 0.611622 1 S S124 1 0.830717 0.918627 0.612906 1 S S125 1 0.417132 0.042423 0.610953 1 S S126 1 0.500111 0.167321 0.610871 1 S S127 1 0.583295 0.292135 0.610743 1 S S128 1 0.666810 0.416839 0.610676 1 S S129 1 0.750478 0.541818 0.610506 1 S S130 1 0.834526 0.667153 0.609093 1 S S131 1 0.913423 0.796066 0.609661 1 S S132 1 0.000930 0.917101 0.610084 1 S S133 1 0.583130 0.042609 0.610921 1 S S134 1 0.666351 0.167163 0.610931 1 S S135 1 0.749851 0.291343 0.610781 1 S S136 1 0.833302 0.415487 0.610755 1 S S137 1 0.916798 0.538858 0.611542 1 S S138 1 0.002914 0.661742 0.609620 1 S S139 1 0.749365 0.042544 0.610924 1 S S140 1 0.833230 0.166411 0.610699 1 S S141 1 0.916646 0.290648 0.610822 1 S S142 1 0.000253 0.414834 0.610790 1 S S143 1 0.916532 0.041671 0.610514 1 S S144 1 0.000186 0.166027 0.610670 1