# generated using pymatgen data_RuW48S95 _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 RuW48S95 _chemical_formula_sum 'Ru1 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 Ru Ru1 1 0.083334 0.791692 0.374367 1 W W2 1 0.001192 0.750591 0.506820 1 W W3 1 0.083333 0.873842 0.506836 1 W W4 1 -0.000089 0.500166 0.500254 1 W W5 1 0.083333 0.625150 0.503357 1 W W6 1 0.165475 0.750591 0.506820 1 W W7 1 0.249856 0.874936 0.503152 1 W W8 1 0.000033 0.250005 0.499026 1 W W9 1 0.083333 0.375129 0.499306 1 W W10 1 0.166755 0.500166 0.500254 1 W W11 1 0.249653 0.625393 0.500917 1 W W12 1 0.332790 0.750057 0.500649 1 W W13 1 0.416616 0.874821 0.499948 1 W W14 1 0.000217 -0.000432 0.501010 1 W W15 1 0.083333 0.124785 0.499526 1 W W16 1 0.166634 0.250004 0.499026 1 W W17 1 0.250005 0.375102 0.499125 1 W W18 1 0.333255 0.500225 0.499221 1 W W19 1 0.416450 0.625128 0.499153 1 W W20 1 0.499856 0.749905 0.498841 1 W W21 1 0.583333 0.874840 0.499015 1 W W22 1 0.166450 -0.000431 0.501010 1 W W23 1 0.249838 0.124849 0.499409 1 W W24 1 0.333265 0.249970 0.499021 1 W W25 1 0.416624 0.375097 0.498879 1 W W26 1 0.499959 0.500113 0.498730 1 W W27 1 0.583334 0.625016 0.498623 1 W W28 1 0.666811 0.749905 0.498842 1 W W29 1 0.750050 0.874821 0.499948 1 W W30 1 0.333163 -0.000031 0.500244 1 W W31 1 0.416583 0.124931 0.499300 1 W W32 1 0.499959 0.249995 0.498994 1 W W33 1 0.583333 0.375076 0.498778 1 W W34 1 0.666708 0.500112 0.498730 1 W W35 1 0.750217 0.625128 0.499153 1 W W36 1 0.833876 0.750057 0.500649 1 W W37 1 0.916811 0.874935 0.503152 1 W W38 1 0.499937 -0.000135 0.499368 1 W W39 1 0.583333 0.124927 0.499171 1 W W40 1 0.666708 0.249995 0.498994 1 W W41 1 0.750042 0.375097 0.498879 1 W W42 1 0.833411 0.500225 0.499221 1 W W43 1 0.917014 0.625392 0.500915 1 W W44 1 0.666729 -0.000136 0.499368 1 W W45 1 0.750084 0.124932 0.499300 1 W W46 1 0.833403 0.249970 0.499021 1 W W47 1 0.916661 0.375102 0.499124 1 W W48 1 0.833504 -0.000031 0.500244 1 W W49 1 0.916829 0.124849 0.499409 1 S S50 1 0.165581 0.914061 0.392405 1 S S51 1 0.083334 0.542549 0.390692 1 S S52 1 0.164503 0.668767 0.392464 1 S S53 1 0.246698 0.792231 0.392273 1 S S54 1 0.332453 0.916271 0.390509 1 S S55 1 0.083333 0.291808 0.388372 1 S S56 1 0.166611 0.417128 0.388814 1 S S57 1 0.249483 0.542441 0.389367 1 S S58 1 0.332464 0.667027 0.389357 1 S S59 1 0.415687 0.791637 0.389021 1 S S60 1 0.499667 0.916486 0.388650 1 S S61 1 0.083333 0.040898 0.389637 1 S S62 1 0.166563 0.166414 0.388569 1 S S63 1 0.249951 0.291734 0.388333 1 S S64 1 0.333191 0.416923 0.388351 1 S S65 1 0.416370 0.541886 0.388236 1 S S66 1 0.499701 0.666663 0.388040 1 S S67 1 0.583333 0.791582 0.388095 1 S S68 1 0.666999 0.916486 0.388650 1 S S69 1 0.249474 0.040948 0.389469 1 S S70 1 0.333151 0.166427 0.388537 1 S S71 1 0.416587 0.291641 0.388283 1 S S72 1 0.499927 0.416724 0.388082 1 S S73 1 0.583333 0.541707 0.387914 1 S S74 1 0.666966 0.666664 0.388040 1 S S75 1 0.750980 0.791637 0.389020 1 S S76 1 0.834214 0.916271 0.390510 1 S S77 1 0.416300 0.041397 0.388903 1 S S78 1 0.499911 0.166519 0.388472 1 S S79 1 0.583333 0.291599 0.388267 1 S S80 1 0.666740 0.416723 0.388082 1 S S81 1 0.750296 0.541886 0.388236 1 S S82 1 0.834202 0.667026 0.389356 1 S S83 1 0.919968 0.792230 0.392273 1 S S84 1 0.001086 0.914062 0.392404 1 S S85 1 0.583333 0.041484 0.388583 1 S S86 1 0.666756 0.166519 0.388472 1 S S87 1 0.750080 0.291641 0.388283 1 S S88 1 0.833474 0.416923 0.388351 1 S S89 1 0.917184 0.542440 0.389367 1 S S90 1 0.002164 0.668767 0.392464 1 S S91 1 0.750366 0.041397 0.388903 1 S S92 1 0.833516 0.166427 0.388538 1 S S93 1 0.916716 0.291734 0.388333 1 S S94 1 0.000056 0.417129 0.388814 1 S S95 1 0.917193 0.040948 0.389469 1 S S96 1 0.000103 0.166414 0.388569 1 S S97 1 0.083333 0.791677 0.619048 1 S S98 1 0.167400 0.917387 0.614516 1 S S99 1 0.083334 0.540693 0.611893 1 S S100 1 0.167080 0.665783 0.614576 1 S S101 1 0.251184 0.791801 0.614360 1 S S102 1 0.334359 0.917049 0.611671 1 S S103 1 0.083333 0.291649 0.609755 1 S S104 1 0.166793 0.416436 0.610261 1 S S105 1 0.250383 0.541593 0.610811 1 S S106 1 0.333626 0.666604 0.610867 1 S S107 1 0.417039 0.791371 0.610417 1 S S108 1 0.500314 0.916533 0.610121 1 S S109 1 0.083333 0.041873 0.611155 1 S S110 1 0.166615 0.166760 0.609995 1 S S111 1 0.249994 0.291681 0.609710 1 S S112 1 0.333416 0.416748 0.609745 1 S S113 1 0.416797 0.541750 0.609738 1 S S114 1 0.500097 0.666614 0.609551 1 S S115 1 0.583333 0.791441 0.609518 1 S S116 1 0.666353 0.916533 0.610121 1 S S117 1 0.249945 0.041931 0.610889 1 S S118 1 0.333261 0.166703 0.609916 1 S S119 1 0.416626 0.291742 0.609632 1 S S120 1 0.500016 0.416784 0.609477 1 S S121 1 0.583333 0.541736 0.609383 1 S S122 1 0.666571 0.666615 0.609551 1 S S123 1 0.749628 0.791371 0.610418 1 S S124 1 0.832307 0.917049 0.611671 1 S S125 1 0.416881 0.041773 0.610339 1 S S126 1 0.499998 0.166707 0.609824 1 S S127 1 0.583333 0.291761 0.609561 1 S S128 1 0.666651 0.416784 0.609478 1 S S129 1 0.749869 0.541750 0.609738 1 S S130 1 0.833041 0.666603 0.610866 1 S S131 1 0.915482 0.791800 0.614360 1 S S132 1 -0.000734 0.917387 0.614516 1 S S133 1 0.583333 0.041605 0.609939 1 S S134 1 0.666669 0.166707 0.609823 1 S S135 1 0.750041 0.291741 0.609632 1 S S136 1 0.833250 0.416748 0.609744 1 S S137 1 0.916284 0.541593 0.610811 1 S S138 1 -0.000414 0.665783 0.614576 1 S S139 1 0.749786 0.041773 0.610339 1 S S140 1 0.833405 0.166703 0.609916 1 S S141 1 0.916673 0.291681 0.609709 1 S S142 1 -0.000126 0.416436 0.610261 1 S S143 1 0.916722 0.041930 0.610889 1 S S144 1 0.000052 0.166760 0.609995 1