# 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 0.742779 0.500001 1 W W2 1 0.083533 0.878761 0.500002 1 W W3 1 0.000000 0.498836 0.499999 1 W W4 1 0.083288 0.622479 0.500001 1 W W5 1 0.167130 0.750787 0.500002 1 W W6 1 0.249683 0.875222 0.500002 1 W W7 1 -0.000000 0.250522 0.500000 1 W W8 1 0.083542 0.374924 0.499999 1 W W9 1 0.167365 0.499543 0.500000 1 W W10 1 0.249695 0.624897 0.500001 1 W W11 1 0.332933 0.749724 0.500000 1 W W12 1 0.416615 0.874783 0.500000 1 W W13 1 -0.000000 0.001701 0.500004 1 W W14 1 0.083513 0.125976 0.500003 1 W W15 1 0.166914 0.250375 0.500000 1 W W16 1 0.250417 0.374910 0.500001 1 W W17 1 0.333507 0.499908 0.500000 1 W W18 1 0.416675 0.624843 0.499999 1 W W19 1 0.500000 0.749605 0.499999 1 W W20 1 0.583385 0.874782 0.500000 1 W W21 1 0.166628 0.000629 0.500004 1 W W22 1 0.250122 0.125383 0.500003 1 W W23 1 0.333510 0.250066 0.500001 1 W W24 1 0.416794 0.374953 0.500000 1 W W25 1 0.500000 0.499840 0.500000 1 W W26 1 0.583325 0.624843 0.499999 1 W W27 1 0.667066 0.749724 0.500000 1 W W28 1 0.750316 0.875222 0.500002 1 W W29 1 0.333260 0.000130 0.500002 1 W W30 1 0.416718 0.124980 0.500000 1 W W31 1 0.500000 0.249969 0.499998 1 W W32 1 0.583206 0.374953 0.500000 1 W W33 1 0.666494 0.499908 0.500000 1 W W34 1 0.750305 0.624898 0.500000 1 W W35 1 0.832870 0.750787 0.500001 1 W W36 1 0.916467 0.878761 0.500002 1 W W37 1 0.500000 -0.000172 0.500001 1 W W38 1 0.583282 0.124980 0.500000 1 W W39 1 0.666490 0.250065 0.500001 1 W W40 1 0.749582 0.374910 0.500000 1 W W41 1 0.832635 0.499543 0.500000 1 W W42 1 0.916712 0.622479 0.500001 1 W W43 1 0.666740 0.000129 0.500002 1 W W44 1 0.749878 0.125382 0.500003 1 W W45 1 0.833086 0.250375 0.500000 1 W W46 1 0.916458 0.374924 0.499999 1 W W47 1 0.833372 0.000629 0.500004 1 W W48 1 0.916487 0.125976 0.500003 1 S S49 1 0.080807 0.792038 0.393540 1 S S50 1 0.167213 0.917470 0.388189 1 S S51 1 0.083652 0.539839 0.388819 1 S S52 1 0.166026 0.666814 0.389580 1 S S53 1 0.249819 0.792044 0.388911 1 S S54 1 0.333361 0.916723 0.389318 1 S S55 1 0.083513 0.291831 0.389103 1 S S56 1 0.167111 0.416321 0.389138 1 S S57 1 0.250333 0.541571 0.389089 1 S S58 1 0.333207 0.666453 0.389248 1 S S59 1 0.416518 0.791387 0.389343 1 S S60 1 0.500000 0.916452 0.389245 1 S S61 1 0.083613 0.042983 0.389099 1 S S62 1 0.166962 0.167237 0.389101 1 S S63 1 0.250322 0.291735 0.389096 1 S S64 1 0.333606 0.416600 0.389117 1 S S65 1 0.416779 0.541528 0.389162 1 S S66 1 0.500000 0.666416 0.389111 1 S S67 1 0.583482 0.791387 0.389343 1 S S68 1 0.666639 0.916723 0.389319 1 S S69 1 0.250074 0.042069 0.389203 1 S S70 1 0.333515 0.166774 0.389162 1 S S71 1 0.416783 0.291639 0.389143 1 S S72 1 0.500000 0.416560 0.389106 1 S S73 1 0.583221 0.541528 0.389162 1 S S74 1 0.666794 0.666453 0.389249 1 S S75 1 0.750180 0.792043 0.388912 1 S S76 1 0.832787 0.917470 0.388190 1 S S77 1 0.416702 0.041618 0.389230 1 S S78 1 0.500000 0.166630 0.389184 1 S S79 1 0.583217 0.291639 0.389143 1 S S80 1 0.666393 0.416600 0.389117 1 S S81 1 0.749667 0.541570 0.389089 1 S S82 1 0.833974 0.666814 0.389580 1 S S83 1 0.919193 0.792038 0.393541 1 S S84 1 -0.000000 0.918993 0.388782 1 S S85 1 0.583299 0.041618 0.389230 1 S S86 1 0.666485 0.166774 0.389162 1 S S87 1 0.749678 0.291735 0.389097 1 S S88 1 0.832889 0.416321 0.389138 1 S S89 1 0.916349 0.539838 0.388821 1 S S90 1 -0.000000 0.662421 0.389208 1 S S91 1 0.749926 0.042068 0.389203 1 S S92 1 0.833038 0.167237 0.389101 1 S S93 1 0.916487 0.291831 0.389103 1 S S94 1 0.000000 0.415944 0.388921 1 S S95 1 0.916387 0.042983 0.389099 1 S S96 1 -0.000000 0.167442 0.389139 1 S S97 1 0.080808 0.792038 0.606460 1 S S98 1 0.167213 0.917470 0.611808 1 S S99 1 0.083652 0.539839 0.611181 1 S S100 1 0.166026 0.666814 0.610420 1 S S101 1 0.249819 0.792044 0.611088 1 S S102 1 0.333361 0.916724 0.610680 1 S S103 1 0.083513 0.291831 0.610896 1 S S104 1 0.167112 0.416321 0.610863 1 S S105 1 0.250332 0.541570 0.610912 1 S S106 1 0.333207 0.666453 0.610751 1 S S107 1 0.416518 0.791387 0.610656 1 S S108 1 0.500000 0.916452 0.610753 1 S S109 1 0.083613 0.042983 0.610896 1 S S110 1 0.166962 0.167237 0.610897 1 S S111 1 0.250322 0.291735 0.610902 1 S S112 1 0.333606 0.416600 0.610883 1 S S113 1 0.416779 0.541528 0.610836 1 S S114 1 0.500000 0.666415 0.610888 1 S S115 1 0.583481 0.791387 0.610657 1 S S116 1 0.666639 0.916723 0.610681 1 S S117 1 0.250074 0.042068 0.610795 1 S S118 1 0.333515 0.166774 0.610837 1 S S119 1 0.416784 0.291640 0.610857 1 S S120 1 0.500000 0.416561 0.610894 1 S S121 1 0.583221 0.541528 0.610836 1 S S122 1 0.666793 0.666453 0.610751 1 S S123 1 0.750181 0.792044 0.611089 1 S S124 1 0.832787 0.917470 0.611809 1 S S125 1 0.416702 0.041619 0.610768 1 S S126 1 0.500000 0.166630 0.610815 1 S S127 1 0.583216 0.291640 0.610857 1 S S128 1 0.666394 0.416600 0.610883 1 S S129 1 0.749668 0.541571 0.610912 1 S S130 1 0.833974 0.666814 0.610421 1 S S131 1 0.919193 0.792038 0.606459 1 S S132 1 0.000000 0.918994 0.611215 1 S S133 1 0.583299 0.041618 0.610768 1 S S134 1 0.666485 0.166774 0.610837 1 S S135 1 0.749678 0.291735 0.610902 1 S S136 1 0.832888 0.416320 0.610863 1 S S137 1 0.916348 0.539839 0.611181 1 S S138 1 0.000000 0.662421 0.610792 1 S S139 1 0.749926 0.042068 0.610795 1 S S140 1 0.833038 0.167237 0.610897 1 S S141 1 0.916487 0.291831 0.610897 1 S S142 1 0.000000 0.415944 0.611080 1 S S143 1 0.916387 0.042983 0.610896 1 S S144 1 -0.000000 0.167441 0.610858 1