# 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 0.969082 0.734385 0.500010 1 W W2 1 0.085289 0.876442 0.499999 1 W W3 1 0.000425 0.497865 0.500004 1 W W4 1 0.087252 0.619443 0.500007 1 W W5 1 0.168740 0.750941 0.500002 1 W W6 1 0.251881 0.876138 0.499999 1 W W7 1 0.000593 0.249327 0.499993 1 W W8 1 0.083350 0.373572 0.499999 1 W W9 1 0.166237 0.498797 0.500005 1 W W10 1 0.250269 0.625557 0.500004 1 W W11 1 0.334451 0.751185 0.500001 1 W W12 1 0.417172 0.876047 0.499996 1 W W13 1 0.000757 -0.000000 0.499997 1 W W14 1 0.083900 0.124816 0.499993 1 W W15 1 0.167019 0.249249 0.499994 1 W W16 1 0.250412 0.374265 0.499999 1 W W17 1 0.333158 0.499883 0.500004 1 W W18 1 0.417004 0.625498 0.500002 1 W W19 1 0.500124 0.750509 0.499999 1 W W20 1 0.582804 0.875915 0.499997 1 W W21 1 0.168421 0.000475 0.499996 1 W W22 1 0.250636 0.125366 0.499995 1 W W23 1 0.334047 0.250311 0.499996 1 W W24 1 0.416198 0.375312 0.499999 1 W W25 1 0.500333 0.500638 0.500001 1 W W26 1 0.583462 0.625600 0.500000 1 W W27 1 0.666015 0.750979 0.499998 1 W W28 1 0.748678 0.876400 0.499998 1 W W29 1 0.334455 0.000362 0.499997 1 W W30 1 0.417187 0.125417 0.499995 1 W W31 1 0.499953 0.249987 0.499996 1 W W32 1 0.583396 0.375327 0.499998 1 W W33 1 0.666921 0.499922 0.500001 1 W W34 1 0.750496 0.625268 0.500002 1 W W35 1 0.829813 0.753620 0.500003 1 W W36 1 0.913397 0.880773 0.500002 1 W W37 1 0.500643 0.000844 0.499995 1 W W38 1 0.582937 0.125621 0.499995 1 W W39 1 0.667088 0.250221 0.499996 1 W W40 1 0.749473 0.374456 0.499999 1 W W41 1 0.833771 0.498736 0.500003 1 W W42 1 0.918387 0.620235 0.500006 1 W W43 1 0.665992 0.000726 0.499996 1 W W44 1 0.749503 0.125450 0.499995 1 W W45 1 0.832885 0.249166 0.499995 1 W W46 1 0.916667 0.373527 0.499999 1 W W47 1 0.832229 0.000231 0.499997 1 W W48 1 0.916339 0.124819 0.499994 1 S S49 1 0.087183 0.793820 0.389116 1 S S50 1 0.168423 0.917491 0.389239 1 S S51 1 0.083739 0.538384 0.387132 1 S S52 1 0.166975 0.667439 0.390391 1 S S53 1 0.251420 0.792748 0.389335 1 S S54 1 0.334563 0.917555 0.388753 1 S S55 1 0.083792 0.290672 0.389062 1 S S56 1 0.166867 0.415455 0.389557 1 S S57 1 0.249935 0.541680 0.389664 1 S S58 1 0.333728 0.667267 0.389503 1 S S59 1 0.417245 0.792574 0.389332 1 S S60 1 0.500163 0.917592 0.389122 1 S S61 1 0.084146 0.041667 0.389395 1 S S62 1 0.167119 0.166303 0.389281 1 S S63 1 0.250299 0.291180 0.389303 1 S S64 1 0.333110 0.416799 0.389364 1 S S65 1 0.416585 0.542033 0.389738 1 S S66 1 0.500214 0.667139 0.389408 1 S S67 1 0.582912 0.792456 0.389279 1 S S68 1 0.665731 0.917635 0.389190 1 S S69 1 0.251194 0.042101 0.389362 1 S S70 1 0.333913 0.167012 0.389398 1 S S71 1 0.416989 0.292077 0.389382 1 S S72 1 0.499917 0.417048 0.389696 1 S S73 1 0.583746 0.542140 0.389586 1 S S74 1 0.667090 0.667027 0.389542 1 S S75 1 0.747713 0.793167 0.388317 1 S S76 1 0.830705 0.918624 0.387002 1 S S77 1 0.417335 0.042281 0.389226 1 S S78 1 0.500045 0.167044 0.389165 1 S S79 1 0.583383 0.291920 0.389661 1 S S80 1 0.666603 0.416765 0.389401 1 S S81 1 0.750436 0.541707 0.389688 1 S S82 1 0.834322 0.667087 0.390963 1 S S83 1 0.913376 0.796062 0.390532 1 S S84 1 0.000966 0.916709 0.390255 1 S S85 1 0.583388 0.042535 0.389017 1 S S86 1 0.666341 0.166995 0.389218 1 S S87 1 0.750038 0.291399 0.389192 1 S S88 1 0.833239 0.415450 0.389478 1 S S89 1 0.916812 0.538834 0.388340 1 S S90 1 0.002576 0.661722 0.390512 1 S S91 1 0.749354 0.042352 0.389367 1 S S92 1 0.833164 0.166216 0.389270 1 S S93 1 0.916616 0.290481 0.389471 1 S S94 1 1.000025 0.414887 0.389337 1 S S95 1 0.916775 0.041632 0.389566 1 S S96 1 0.000178 0.166047 0.389582 1 S S97 1 0.087179 0.793819 0.610881 1 S S98 1 0.168423 0.917493 0.610759 1 S S99 1 0.083738 0.538380 0.612879 1 S S100 1 0.166975 0.667441 0.609617 1 S S101 1 0.251419 0.792749 0.610667 1 S S102 1 0.334564 0.917557 0.611245 1 S S103 1 0.083792 0.290671 0.610933 1 S S104 1 0.166867 0.415452 0.610445 1 S S105 1 0.249934 0.541680 0.610346 1 S S106 1 0.333728 0.667268 0.610505 1 S S107 1 0.417245 0.792576 0.610671 1 S S108 1 0.500162 0.917593 0.610875 1 S S109 1 0.084147 0.041668 0.610596 1 S S110 1 0.167119 0.166301 0.610711 1 S S111 1 0.250298 0.291178 0.610695 1 S S112 1 0.333109 0.416798 0.610640 1 S S113 1 0.416584 0.542033 0.610274 1 S S114 1 0.500215 0.667141 0.610598 1 S S115 1 0.582912 0.792458 0.610723 1 S S116 1 0.665730 0.917637 0.610807 1 S S117 1 0.251194 0.042102 0.610632 1 S S118 1 0.333912 0.167011 0.610595 1 S S119 1 0.416988 0.292075 0.610619 1 S S120 1 0.499917 0.417047 0.610309 1 S S121 1 0.583747 0.542140 0.610422 1 S S122 1 0.667090 0.667028 0.610463 1 S S123 1 0.747711 0.793169 0.611687 1 S S124 1 0.830703 0.918626 0.612998 1 S S125 1 0.417335 0.042281 0.610770 1 S S126 1 0.500045 0.167043 0.610831 1 S S127 1 0.583382 0.291918 0.610337 1 S S128 1 0.666604 0.416764 0.610605 1 S S129 1 0.750436 0.541707 0.610320 1 S S130 1 0.834319 0.667087 0.609046 1 S S131 1 0.913371 0.796065 0.609481 1 S S132 1 0.000967 0.916711 0.609744 1 S S133 1 0.583388 0.042535 0.610977 1 S S134 1 0.666341 0.166995 0.610777 1 S S135 1 0.750039 0.291394 0.610806 1 S S136 1 0.833238 0.415447 0.610527 1 S S137 1 0.916811 0.538832 0.611670 1 S S138 1 0.002576 0.661720 0.609505 1 S S139 1 0.749353 0.042353 0.610628 1 S S140 1 0.833164 0.166215 0.610724 1 S S141 1 0.916616 0.290479 0.610524 1 S S142 1 1.000026 0.414884 0.610666 1 S S143 1 0.916777 0.041634 0.610428 1 S S144 1 0.000179 0.166046 0.610408 1