# generated using pymatgen data_RhW48S95 _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 RhW48S95 _chemical_formula_sum 'Rh1 W48 S95' _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 0.083333 0.791596 0.371626 1 W W2 1 0.001271 0.750614 0.505941 1 W W3 1 0.083333 0.873714 0.505933 1 W W4 1 -0.000006 0.500080 0.500361 1 W W5 1 0.083333 0.625193 0.503051 1 W W6 1 0.165397 0.750614 0.505943 1 W W7 1 0.249796 0.874873 0.502941 1 W W8 1 0.000002 0.249858 0.498994 1 W W9 1 0.083333 0.374976 0.499406 1 W W10 1 0.166673 0.500080 0.500361 1 W W11 1 0.249576 0.625352 0.500822 1 W W12 1 0.332786 0.750149 0.500619 1 W W13 1 0.416596 0.874948 0.500130 1 W W14 1 0.000128 -0.000544 0.500849 1 W W15 1 0.083333 0.124708 0.499297 1 W W16 1 0.166665 0.249858 0.498994 1 W W17 1 0.249991 0.374992 0.499269 1 W W18 1 0.333165 0.500197 0.499256 1 W W19 1 0.416463 0.625155 0.498963 1 W W20 1 0.499827 0.750074 0.498725 1 W W21 1 0.583333 0.875004 0.499191 1 W W22 1 0.166539 -0.000543 0.500849 1 W W23 1 0.249929 0.124742 0.499315 1 W W24 1 0.333307 0.249942 0.499213 1 W W25 1 0.416626 0.375093 0.499187 1 W W26 1 0.499935 0.500145 0.498720 1 W W27 1 0.583334 0.625145 0.498296 1 W W28 1 0.666840 0.750074 0.498725 1 W W29 1 0.750070 0.874949 0.500129 1 W W30 1 0.333246 -0.000069 0.500364 1 W W31 1 0.416649 0.124986 0.499575 1 W W32 1 0.499991 0.250053 0.499520 1 W W33 1 0.583333 0.375105 0.499200 1 W W34 1 0.666732 0.500145 0.498720 1 W W35 1 0.750204 0.625155 0.498962 1 W W36 1 0.833881 0.750149 0.500619 1 W W37 1 0.916870 0.874874 0.502941 1 W W38 1 0.499966 -0.000017 0.499726 1 W W39 1 0.583333 0.125024 0.499709 1 W W40 1 0.666675 0.250054 0.499520 1 W W41 1 0.750041 0.375093 0.499187 1 W W42 1 0.833502 0.500197 0.499255 1 W W43 1 0.917091 0.625353 0.500821 1 W W44 1 0.666701 -0.000017 0.499726 1 W W45 1 0.750017 0.124986 0.499575 1 W W46 1 0.833360 0.249942 0.499213 1 W W47 1 0.916676 0.374992 0.499269 1 W W48 1 0.833420 -0.000068 0.500365 1 W W49 1 0.916738 0.124743 0.499315 1 S S50 1 0.165373 0.913668 0.392492 1 S S51 1 0.083334 0.542479 0.390685 1 S S52 1 0.164308 0.669086 0.392542 1 S S53 1 0.246332 0.792203 0.392445 1 S S54 1 0.332487 0.916278 0.390551 1 S S55 1 0.083333 0.291692 0.388409 1 S S56 1 0.166601 0.417018 0.388953 1 S S57 1 0.249368 0.542369 0.389338 1 S S58 1 0.332309 0.667130 0.389296 1 S S59 1 0.415611 0.791837 0.388991 1 S S60 1 0.499649 0.916672 0.388916 1 S S61 1 0.083333 0.040667 0.389486 1 S S62 1 0.166639 0.166311 0.388415 1 S S63 1 0.250032 0.291649 0.388413 1 S S64 1 0.333199 0.416832 0.388535 1 S S65 1 0.416302 0.541839 0.388193 1 S S66 1 0.499622 0.666833 0.387839 1 S S67 1 0.583333 0.791836 0.388091 1 S S68 1 0.667018 0.916672 0.388916 1 S S69 1 0.249615 0.040818 0.389327 1 S S70 1 0.333312 0.166441 0.388625 1 S S71 1 0.416707 0.291642 0.388606 1 S S72 1 0.499954 0.416641 0.388320 1 S S73 1 0.583334 0.541689 0.387805 1 S S74 1 0.667045 0.666834 0.387839 1 S S75 1 0.751056 0.791837 0.388991 1 S S76 1 0.834179 0.916279 0.390551 1 S S77 1 0.416417 0.041471 0.389145 1 S S78 1 0.500028 0.166636 0.388894 1 S S79 1 0.583333 0.291633 0.388729 1 S S80 1 0.666713 0.416641 0.388321 1 S S81 1 0.750365 0.541839 0.388192 1 S S82 1 0.834357 0.667130 0.389296 1 S S83 1 0.920334 0.792203 0.392445 1 S S84 1 0.001293 0.913668 0.392492 1 S S85 1 0.583333 0.041637 0.389027 1 S S86 1 0.666639 0.166636 0.388894 1 S S87 1 0.749960 0.291642 0.388606 1 S S88 1 0.833467 0.416832 0.388535 1 S S89 1 0.917298 0.542369 0.389338 1 S S90 1 0.002358 0.669085 0.392541 1 S S91 1 0.750249 0.041471 0.389146 1 S S92 1 0.833354 0.166441 0.388626 1 S S93 1 0.916634 0.291650 0.388413 1 S S94 1 0.000066 0.417018 0.388952 1 S S95 1 0.917051 0.040819 0.389327 1 S S96 1 0.000028 0.166311 0.388415 1 S S97 1 0.083334 0.791641 0.616811 1 S S98 1 0.166916 0.917285 0.614057 1 S S99 1 0.083333 0.540828 0.612060 1 S S100 1 0.167249 0.666148 0.614090 1 S S101 1 0.250856 0.791463 0.613982 1 S S102 1 0.334177 0.916989 0.611925 1 S S103 1 0.083333 0.291446 0.609772 1 S S104 1 0.166768 0.416339 0.610358 1 S S105 1 0.250285 0.541612 0.610745 1 S S106 1 0.333636 0.666595 0.610611 1 S S107 1 0.416999 0.791431 0.610357 1 S S108 1 0.500281 0.916586 0.610357 1 S S109 1 0.083333 0.041791 0.610803 1 S S110 1 0.166626 0.166582 0.609817 1 S S111 1 0.249944 0.291548 0.609832 1 S S112 1 0.333343 0.416769 0.609904 1 S S113 1 0.416767 0.541818 0.609621 1 S S114 1 0.500117 0.666686 0.609236 1 S S115 1 0.583333 0.791473 0.609428 1 S S116 1 0.666385 0.916587 0.610357 1 S S117 1 0.249934 0.041841 0.610742 1 S S118 1 0.333174 0.166656 0.610027 1 S S119 1 0.416545 0.291776 0.610024 1 S S120 1 0.499989 0.416926 0.609740 1 S S121 1 0.583334 0.541922 0.609196 1 S S122 1 0.666550 0.666687 0.609236 1 S S123 1 0.749668 0.791432 0.610357 1 S S124 1 0.832488 0.916989 0.611925 1 S S125 1 0.416800 0.041832 0.610574 1 S S126 1 0.499950 0.166758 0.610360 1 S S127 1 0.583333 0.291861 0.610182 1 S S128 1 0.666678 0.416926 0.609740 1 S S129 1 0.749900 0.541818 0.609621 1 S S130 1 0.833030 0.666595 0.610611 1 S S131 1 0.915811 0.791463 0.613981 1 S S132 1 -0.000249 0.917286 0.614058 1 S S133 1 0.583333 0.041676 0.610437 1 S S134 1 0.666717 0.166758 0.610360 1 S S135 1 0.750121 0.291776 0.610024 1 S S136 1 0.833324 0.416769 0.609904 1 S S137 1 0.916382 0.541613 0.610744 1 S S138 1 -0.000582 0.666149 0.614089 1 S S139 1 0.749866 0.041833 0.610575 1 S S140 1 0.833493 0.166656 0.610027 1 S S141 1 0.916723 0.291548 0.609832 1 S S142 1 -0.000101 0.416339 0.610358 1 S S143 1 0.916732 0.041841 0.610742 1 S S144 1 0.000041 0.166582 0.609817 1