# 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 0.791544 0.372378 1 W W2 1 0.000531 0.750735 0.506051 1 W W3 1 0.083333 0.873271 0.505975 1 W W4 1 -0.000129 0.500251 0.500170 1 W W5 1 0.083333 0.625287 0.502906 1 W W6 1 0.166136 0.750735 0.506050 1 W W7 1 0.249951 0.874919 0.503013 1 W W8 1 0.000012 0.249954 0.498808 1 W W9 1 0.083333 0.375077 0.499187 1 W W10 1 0.166796 0.500252 0.500170 1 W W11 1 0.249653 0.625446 0.500872 1 W W12 1 0.332963 0.750095 0.500772 1 W W13 1 0.416654 0.874817 0.500342 1 W W14 1 0.000001 -0.000430 0.500684 1 W W15 1 0.083333 0.124630 0.499083 1 W W16 1 0.166654 0.249954 0.498808 1 W W17 1 0.249969 0.375108 0.499077 1 W W18 1 0.333241 0.500242 0.499252 1 W W19 1 0.416481 0.625176 0.499207 1 W W20 1 0.499887 0.749968 0.499079 1 W W21 1 0.583333 0.874804 0.499418 1 W W22 1 0.166666 -0.000430 0.500683 1 W W23 1 0.249837 0.124818 0.499190 1 W W24 1 0.333245 0.249930 0.499052 1 W W25 1 0.416613 0.375125 0.499054 1 W W26 1 0.499952 0.500166 0.498817 1 W W27 1 0.583333 0.625071 0.498653 1 W W28 1 0.666779 0.749968 0.499079 1 W W29 1 0.750012 0.874816 0.500343 1 W W30 1 0.333226 -0.000151 0.500386 1 W W31 1 0.416608 0.124924 0.499501 1 W W32 1 0.499939 0.250006 0.499402 1 W W33 1 0.583333 0.375079 0.499103 1 W W34 1 0.666714 0.500166 0.498817 1 W W35 1 0.750186 0.625176 0.499208 1 W W36 1 0.833704 0.750095 0.500773 1 W W37 1 0.916716 0.874919 0.503014 1 W W38 1 0.499947 -0.000120 0.499818 1 W W39 1 0.583333 0.124876 0.499657 1 W W40 1 0.666728 0.250006 0.499402 1 W W41 1 0.750054 0.375125 0.499054 1 W W42 1 0.833426 0.500242 0.499252 1 W W43 1 0.917014 0.625446 0.500872 1 W W44 1 0.666720 -0.000120 0.499818 1 W W45 1 0.750059 0.124924 0.499501 1 W W46 1 0.833421 0.249930 0.499052 1 W W47 1 0.916698 0.375108 0.499076 1 W W48 1 0.833441 -0.000151 0.500386 1 W W49 1 0.916830 0.124817 0.499190 1 S S50 1 0.165809 0.913908 0.392546 1 S S51 1 0.083333 0.542632 0.390659 1 S S52 1 0.164745 0.669058 0.392388 1 S S53 1 0.247178 0.792225 0.392182 1 S S54 1 0.332696 0.916198 0.390620 1 S S55 1 0.083333 0.291770 0.388241 1 S S56 1 0.166604 0.417165 0.388787 1 S S57 1 0.249523 0.542530 0.389390 1 S S58 1 0.332576 0.667155 0.389419 1 S S59 1 0.415823 0.791731 0.389200 1 S S60 1 0.499716 0.916502 0.389126 1 S S61 1 0.083333 0.040630 0.389251 1 S S62 1 0.166599 0.166355 0.388289 1 S S63 1 0.250017 0.291727 0.388326 1 S S64 1 0.333238 0.416918 0.388480 1 S S65 1 0.416367 0.541949 0.388364 1 S S66 1 0.499727 0.666787 0.388155 1 S S67 1 0.583333 0.791652 0.388353 1 S S68 1 0.666951 0.916502 0.389127 1 S S69 1 0.249745 0.040865 0.389290 1 S S70 1 0.333275 0.166404 0.388586 1 S S71 1 0.416671 0.291634 0.388597 1 S S72 1 0.499977 0.416726 0.388392 1 S S73 1 0.583333 0.541756 0.388053 1 S S74 1 0.666940 0.666787 0.388155 1 S S75 1 0.750844 0.791730 0.389200 1 S S76 1 0.833971 0.916198 0.390621 1 S S77 1 0.416428 0.041346 0.389208 1 S S78 1 0.500004 0.166517 0.388954 1 S S79 1 0.583333 0.291560 0.388768 1 S S80 1 0.666690 0.416726 0.388391 1 S S81 1 0.750300 0.541949 0.388364 1 S S82 1 0.834091 0.667155 0.389420 1 S S83 1 0.919488 0.792225 0.392183 1 S S84 1 0.000858 0.913908 0.392547 1 S S85 1 0.583333 0.041462 0.389102 1 S S86 1 0.666662 0.166517 0.388954 1 S S87 1 0.749996 0.291634 0.388597 1 S S88 1 0.833429 0.416918 0.388480 1 S S89 1 0.917144 0.542529 0.389390 1 S S90 1 0.001922 0.669058 0.392388 1 S S91 1 0.750238 0.041346 0.389208 1 S S92 1 0.833391 0.166403 0.388586 1 S S93 1 0.916650 0.291727 0.388326 1 S S94 1 0.000062 0.417165 0.388787 1 S S95 1 0.916921 0.040865 0.389290 1 S S96 1 0.000067 0.166355 0.388289 1 S S97 1 0.083333 0.791480 0.616950 1 S S98 1 0.166943 0.917330 0.613535 1 S S99 1 0.083333 0.540890 0.611595 1 S S100 1 0.167169 0.666141 0.613950 1 S S101 1 0.250954 0.791546 0.614255 1 S S102 1 0.334246 0.916960 0.612045 1 S S103 1 0.083333 0.291553 0.609514 1 S S104 1 0.166732 0.416440 0.610096 1 S S105 1 0.250345 0.541637 0.610757 1 S S106 1 0.333629 0.666585 0.610880 1 S S107 1 0.417052 0.791356 0.610738 1 S S108 1 0.500318 0.916501 0.610506 1 S S109 1 0.083333 0.041760 0.610631 1 S S110 1 0.166547 0.166654 0.609598 1 S S111 1 0.249905 0.291644 0.609562 1 S S112 1 0.333327 0.416772 0.609751 1 S S113 1 0.416744 0.541778 0.609757 1 S S114 1 0.500115 0.666614 0.609596 1 S S115 1 0.583333 0.791358 0.609836 1 S S116 1 0.666349 0.916501 0.610507 1 S S117 1 0.249951 0.041929 0.610679 1 S S118 1 0.333101 0.166660 0.609850 1 S S119 1 0.416474 0.291771 0.609759 1 S S120 1 0.499982 0.416876 0.609593 1 S S121 1 0.583333 0.541804 0.609403 1 S S122 1 0.666551 0.666614 0.609597 1 S S123 1 0.749614 0.791356 0.610739 1 S S124 1 0.832421 0.916960 0.612046 1 S S125 1 0.416789 0.041790 0.610575 1 S S126 1 0.499905 0.166695 0.610137 1 S S127 1 0.583333 0.291786 0.609917 1 S S128 1 0.666684 0.416876 0.609593 1 S S129 1 0.749922 0.541778 0.609757 1 S S130 1 0.833040 0.666584 0.610880 1 S S131 1 0.915712 0.791546 0.614255 1 S S132 1 -0.000276 0.917330 0.613535 1 S S133 1 0.583333 0.041586 0.610429 1 S S134 1 0.666761 0.166695 0.610137 1 S S135 1 0.750193 0.291771 0.609759 1 S S136 1 0.833340 0.416772 0.609751 1 S S137 1 0.916322 0.541637 0.610757 1 S S138 1 -0.000502 0.666140 0.613950 1 S S139 1 0.749877 0.041790 0.610576 1 S S140 1 0.833566 0.166660 0.609850 1 S S141 1 0.916762 0.291644 0.609562 1 S S142 1 -0.000065 0.416440 0.610096 1 S S143 1 0.916716 0.041929 0.610679 1 S S144 1 0.000120 0.166654 0.609598 1