# 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 -0.000000 0.750017 0.499980 1 W W2 1 0.084672 0.877378 0.500001 1 W W3 1 -0.000000 0.499397 0.500000 1 W W4 1 0.085041 0.622807 0.500001 1 W W5 1 0.169711 0.749828 0.500001 1 W W6 1 0.250608 0.875313 0.500000 1 W W7 1 0.000000 0.249974 0.500000 1 W W8 1 0.083462 0.374719 0.500000 1 W W9 1 0.166670 0.499633 0.500000 1 W W10 1 0.250440 0.624777 0.500000 1 W W11 1 0.333650 0.750175 0.500000 1 W W12 1 0.416942 0.875084 0.500000 1 W W13 1 -0.000000 0.000447 0.500000 1 W W14 1 0.083441 0.125181 0.500000 1 W W15 1 0.166725 0.249975 0.500000 1 W W16 1 0.250106 0.374858 0.500000 1 W W17 1 0.333464 0.499819 0.500000 1 W W18 1 0.416850 0.624966 0.500000 1 W W19 1 0.500000 0.749987 0.500000 1 W W20 1 0.583058 0.875084 0.500000 1 W W21 1 0.167026 0.000183 0.500000 1 W W22 1 0.250101 0.125141 0.500000 1 W W23 1 0.333377 0.250000 0.500000 1 W W24 1 0.416702 0.374941 0.500000 1 W W25 1 0.500000 0.499950 0.500000 1 W W26 1 0.583150 0.624966 0.500000 1 W W27 1 0.666350 0.750175 0.500000 1 W W28 1 0.749392 0.875313 0.500000 1 W W29 1 0.333547 0.000253 0.500000 1 W W30 1 0.416725 0.125078 0.500000 1 W W31 1 0.500000 0.250003 0.500000 1 W W32 1 0.583298 0.374941 0.500000 1 W W33 1 0.666536 0.499819 0.500000 1 W W34 1 0.749560 0.624777 0.500000 1 W W35 1 0.830289 0.749828 0.500001 1 W W36 1 0.915328 0.877378 0.500001 1 W W37 1 0.500000 0.000083 0.500000 1 W W38 1 0.583275 0.125078 0.500000 1 W W39 1 0.666623 0.250000 0.500000 1 W W40 1 0.749894 0.374858 0.500000 1 W W41 1 0.833330 0.499633 0.500000 1 W W42 1 0.914959 0.622807 0.500001 1 W W43 1 0.666453 0.000253 0.500000 1 W W44 1 0.749899 0.125141 0.500000 1 W W45 1 0.833275 0.249975 0.500000 1 W W46 1 0.916538 0.374719 0.500000 1 W W47 1 0.832974 0.000182 0.500000 1 W W48 1 0.916559 0.125181 0.500000 1 S S49 1 0.083686 0.791845 0.391879 1 S S50 1 0.167751 0.917142 0.388450 1 S S51 1 0.083273 0.540611 0.388439 1 S S52 1 0.167169 0.666422 0.389510 1 S S53 1 0.251010 0.792248 0.388432 1 S S54 1 0.333849 0.916957 0.389230 1 S S55 1 0.083379 0.291527 0.389200 1 S S56 1 0.166780 0.416405 0.389209 1 S S57 1 0.250207 0.541398 0.389260 1 S S58 1 0.333673 0.666638 0.389245 1 S S59 1 0.416895 0.791737 0.389188 1 S S60 1 0.500000 0.916779 0.389140 1 S S61 1 0.083491 0.041950 0.389254 1 S S62 1 0.166744 0.166734 0.389211 1 S S63 1 0.250050 0.291604 0.389224 1 S S64 1 0.333402 0.416556 0.389227 1 S S65 1 0.416719 0.541613 0.389269 1 S S66 1 0.500000 0.666657 0.389195 1 S S67 1 0.583105 0.791737 0.389188 1 S S68 1 0.666151 0.916957 0.389230 1 S S69 1 0.250201 0.041883 0.389207 1 S S70 1 0.333400 0.166722 0.389228 1 S S71 1 0.416683 0.291644 0.389236 1 S S72 1 0.500000 0.416630 0.389252 1 S S73 1 0.583281 0.541613 0.389269 1 S S74 1 0.666327 0.666638 0.389245 1 S S75 1 0.748990 0.792248 0.388432 1 S S76 1 0.832249 0.917142 0.388450 1 S S77 1 0.416778 0.041794 0.389196 1 S S78 1 0.500000 0.166712 0.389218 1 S S79 1 0.583317 0.291644 0.389236 1 S S80 1 0.666598 0.416556 0.389227 1 S S81 1 0.749793 0.541398 0.389260 1 S S82 1 0.832831 0.666422 0.389510 1 S S83 1 0.916314 0.791845 0.391879 1 S S84 1 -0.000000 0.917170 0.389502 1 S S85 1 0.583222 0.041794 0.389196 1 S S86 1 0.666600 0.166722 0.389228 1 S S87 1 0.749950 0.291604 0.389224 1 S S88 1 0.833220 0.416405 0.389209 1 S S89 1 0.916727 0.540611 0.388439 1 S S90 1 -0.000000 0.666322 0.391891 1 S S91 1 0.749799 0.041883 0.389207 1 S S92 1 0.833256 0.166734 0.389211 1 S S93 1 0.916621 0.291527 0.389200 1 S S94 1 0.000000 0.416128 0.389248 1 S S95 1 0.916509 0.041950 0.389254 1 S S96 1 -0.000000 0.166719 0.389264 1 S S97 1 0.083691 0.791848 0.608127 1 S S98 1 0.167751 0.917142 0.611550 1 S S99 1 0.083273 0.540611 0.611561 1 S S100 1 0.167168 0.666422 0.610490 1 S S101 1 0.251010 0.792248 0.611568 1 S S102 1 0.333849 0.916957 0.610769 1 S S103 1 0.083379 0.291527 0.610800 1 S S104 1 0.166780 0.416405 0.610791 1 S S105 1 0.250207 0.541398 0.610740 1 S S106 1 0.333673 0.666638 0.610755 1 S S107 1 0.416895 0.791737 0.610812 1 S S108 1 0.500000 0.916779 0.610860 1 S S109 1 0.083491 0.041950 0.610746 1 S S110 1 0.166744 0.166734 0.610789 1 S S111 1 0.250050 0.291604 0.610776 1 S S112 1 0.333402 0.416556 0.610773 1 S S113 1 0.416719 0.541613 0.610731 1 S S114 1 0.500000 0.666657 0.610805 1 S S115 1 0.583105 0.791737 0.610812 1 S S116 1 0.666151 0.916957 0.610770 1 S S117 1 0.250201 0.041883 0.610793 1 S S118 1 0.333400 0.166722 0.610772 1 S S119 1 0.416683 0.291644 0.610764 1 S S120 1 0.500000 0.416630 0.610748 1 S S121 1 0.583281 0.541613 0.610731 1 S S122 1 0.666327 0.666638 0.610755 1 S S123 1 0.748990 0.792248 0.611568 1 S S124 1 0.832249 0.917142 0.611550 1 S S125 1 0.416778 0.041794 0.610804 1 S S126 1 0.500000 0.166712 0.610782 1 S S127 1 0.583317 0.291644 0.610764 1 S S128 1 0.666598 0.416556 0.610773 1 S S129 1 0.749793 0.541398 0.610740 1 S S130 1 0.832832 0.666422 0.610490 1 S S131 1 0.916309 0.791848 0.608127 1 S S132 1 0.000000 0.917169 0.610498 1 S S133 1 0.583222 0.041794 0.610804 1 S S134 1 0.666600 0.166722 0.610772 1 S S135 1 0.749950 0.291604 0.610776 1 S S136 1 0.833220 0.416405 0.610791 1 S S137 1 0.916727 0.540611 0.611561 1 S S138 1 -0.000000 0.666317 0.608115 1 S S139 1 0.749799 0.041883 0.610793 1 S S140 1 0.833256 0.166734 0.610789 1 S S141 1 0.916621 0.291527 0.610800 1 S S142 1 0.000000 0.416128 0.610752 1 S S143 1 0.916509 0.041950 0.610746 1 S S144 1 0.000000 0.166719 0.610736 1