# 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 -0.019846 0.730572 0.499950 1 W W2 1 0.084168 0.878926 0.500017 1 W W3 1 -0.001009 0.497150 0.499992 1 W W4 1 0.080369 0.622516 0.499992 1 W W5 1 0.166119 0.754621 0.500018 1 W W6 1 0.251386 0.876631 0.500003 1 W W7 1 0.000064 0.249611 0.499997 1 W W8 1 0.083375 0.374079 0.499993 1 W W9 1 0.166851 0.499187 0.499993 1 W W10 1 0.248146 0.626266 0.499999 1 W W11 1 0.334093 0.751005 0.499999 1 W W12 1 0.417614 0.875882 0.499999 1 W W13 1 0.000881 0.001679 0.499997 1 W W14 1 0.084028 0.125734 0.499998 1 W W15 1 0.167221 0.250123 0.499997 1 W W16 1 0.250208 0.374980 0.499997 1 W W17 1 0.332618 0.500762 0.500000 1 W W18 1 0.415865 0.625719 0.500001 1 W W19 1 0.500382 0.750520 0.499997 1 W W20 1 0.584048 0.875366 0.499992 1 W W21 1 0.168514 0.001604 0.499999 1 W W22 1 0.251079 0.125782 0.500001 1 W W23 1 0.333809 0.250449 0.500001 1 W W24 1 0.416470 0.375545 0.500004 1 W W25 1 0.499380 0.500423 0.500005 1 W W26 1 0.582983 0.625309 0.500001 1 W W27 1 0.667085 0.750164 0.499994 1 W W28 1 0.750856 0.875115 0.499990 1 W W29 1 0.334526 0.001027 0.500002 1 W W30 1 0.417406 0.125577 0.500001 1 W W31 1 0.500055 0.250362 0.500002 1 W W32 1 0.582820 0.375115 0.500003 1 W W33 1 0.665990 0.499768 0.500003 1 W W34 1 0.749683 0.624390 0.499994 1 W W35 1 0.833471 0.751709 0.499991 1 W W36 1 0.918715 0.879153 0.499994 1 W W37 1 0.500820 0.000456 0.499998 1 W W38 1 0.583534 0.125218 0.499998 1 W W39 1 0.666320 0.249819 0.499998 1 W W40 1 0.749095 0.374025 0.499998 1 W W41 1 0.831745 0.497778 0.499996 1 W W42 1 0.916737 0.619333 0.499985 1 W W43 1 0.667163 0.000302 0.499990 1 W W44 1 0.749932 0.124994 0.499995 1 W W45 1 0.832929 0.249523 0.499998 1 W W46 1 0.916179 0.373603 0.499997 1 W W47 1 0.833424 0.000095 0.499991 1 W W48 1 0.916669 0.125371 0.499996 1 S S49 1 0.085582 0.795267 0.390223 1 S S50 1 0.168434 0.918917 0.388845 1 S S51 1 0.082903 0.539235 0.389819 1 S S52 1 0.163283 0.668877 0.391201 1 S S53 1 0.251520 0.793317 0.389351 1 S S54 1 0.334580 0.917815 0.389117 1 S S55 1 0.083563 0.291088 0.389162 1 S S56 1 0.166753 0.416029 0.389215 1 S S57 1 0.249121 0.542722 0.389405 1 S S58 1 0.332120 0.667500 0.389503 1 S S59 1 0.417377 0.792474 0.389256 1 S S60 1 0.500936 0.917165 0.389157 1 S S61 1 0.084513 0.042910 0.389120 1 S S62 1 0.167461 0.167092 0.389178 1 S S63 1 0.250435 0.291829 0.389150 1 S S64 1 0.333113 0.417318 0.389321 1 S S65 1 0.416004 0.542369 0.389384 1 S S66 1 0.499593 0.667127 0.389366 1 S S67 1 0.583880 0.791984 0.389278 1 S S68 1 0.667497 0.916886 0.389386 1 S S69 1 0.251442 0.042802 0.388944 1 S S70 1 0.334195 0.167284 0.389123 1 S S71 1 0.416845 0.292234 0.389211 1 S S72 1 0.499617 0.417123 0.389228 1 S S73 1 0.582768 0.541917 0.389348 1 S S74 1 0.666721 0.666689 0.389424 1 S S75 1 0.750469 0.791883 0.388927 1 S S76 1 0.833943 0.917098 0.388383 1 S S77 1 0.417712 0.042325 0.389131 1 S S78 1 0.500421 0.167106 0.389133 1 S S79 1 0.583152 0.291833 0.389181 1 S S80 1 0.666044 0.416436 0.389230 1 S S81 1 0.749242 0.541093 0.389201 1 S S82 1 0.833601 0.666094 0.390417 1 S S83 1 0.919396 0.792381 0.392375 1 S S84 1 0.001248 0.919302 0.388683 1 S S85 1 0.583919 0.041943 0.389139 1 S S86 1 0.666635 0.166629 0.389133 1 S S87 1 0.749507 0.291000 0.389065 1 S S88 1 0.832382 0.414836 0.389078 1 S S89 1 0.915082 0.537347 0.388465 1 S S90 1 -0.001607 0.657363 0.384652 1 S S91 1 0.750314 0.041775 0.389123 1 S S92 1 0.833156 0.166498 0.389118 1 S S93 1 0.916414 0.290700 0.389114 1 S S94 1 -0.000293 0.414643 0.388846 1 S S95 1 0.916738 0.042389 0.389282 1 S S96 1 0.000228 0.166668 0.389147 1 S S97 1 0.085644 0.795301 0.609867 1 S S98 1 0.168442 0.918926 0.611156 1 S S99 1 0.082900 0.539238 0.610187 1 S S100 1 0.163281 0.668873 0.608812 1 S S101 1 0.251531 0.793320 0.610655 1 S S102 1 0.334581 0.917816 0.610876 1 S S103 1 0.083563 0.291087 0.610845 1 S S104 1 0.166753 0.416029 0.610794 1 S S105 1 0.249122 0.542721 0.610601 1 S S106 1 0.332121 0.667501 0.610499 1 S S107 1 0.417376 0.792475 0.610741 1 S S108 1 0.500934 0.917165 0.610843 1 S S109 1 0.084516 0.042909 0.610878 1 S S110 1 0.167462 0.167092 0.610822 1 S S111 1 0.250436 0.291827 0.610854 1 S S112 1 0.333115 0.417319 0.610685 1 S S113 1 0.416005 0.542370 0.610615 1 S S114 1 0.499593 0.667127 0.610634 1 S S115 1 0.583879 0.791985 0.610727 1 S S116 1 0.667496 0.916886 0.610620 1 S S117 1 0.251442 0.042802 0.611050 1 S S118 1 0.334194 0.167283 0.610875 1 S S119 1 0.416844 0.292232 0.610790 1 S S120 1 0.499619 0.417124 0.610771 1 S S121 1 0.582768 0.541917 0.610651 1 S S122 1 0.666721 0.666687 0.610579 1 S S123 1 0.750472 0.791883 0.611081 1 S S124 1 0.833944 0.917098 0.611621 1 S S125 1 0.417711 0.042325 0.610864 1 S S126 1 0.500420 0.167105 0.610866 1 S S127 1 0.583151 0.291833 0.610820 1 S S128 1 0.666045 0.416436 0.610770 1 S S129 1 0.749241 0.541094 0.610801 1 S S130 1 0.833605 0.666094 0.609581 1 S S131 1 0.919423 0.792375 0.607601 1 S S132 1 0.001244 0.919305 0.611327 1 S S133 1 0.583918 0.041942 0.610862 1 S S134 1 0.666635 0.166629 0.610871 1 S S135 1 0.749506 0.291000 0.610941 1 S S136 1 0.832383 0.414837 0.610923 1 S S137 1 0.915083 0.537354 0.611535 1 S S138 1 -0.001609 0.657386 0.615313 1 S S139 1 0.750314 0.041775 0.610883 1 S S140 1 0.833156 0.166497 0.610888 1 S S141 1 0.916414 0.290700 0.610894 1 S S142 1 -0.000293 0.414643 0.611162 1 S S143 1 0.916737 0.042389 0.610721 1 S S144 1 0.000229 0.166667 0.610854 1