# 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 0.083336 0.791656 0.373629 1 W W2 1 0.001309 0.750676 0.506916 1 W W3 1 0.083333 0.873684 0.506913 1 W W4 1 -0.000053 0.500238 0.500243 1 W W5 1 0.083333 0.625256 0.503396 1 W W6 1 0.165359 0.750675 0.506918 1 W W7 1 0.249781 0.874874 0.503249 1 W W8 1 0.000042 0.249979 0.498934 1 W W9 1 0.083333 0.375150 0.499260 1 W W10 1 0.166720 0.500238 0.500243 1 W W11 1 0.249633 0.625461 0.500939 1 W W12 1 0.332756 0.750078 0.500716 1 W W13 1 0.416579 0.874809 0.499948 1 W W14 1 0.000230 -0.000508 0.501002 1 W W15 1 0.083333 0.124680 0.499437 1 W W16 1 0.166625 0.249979 0.498934 1 W W17 1 0.249967 0.375114 0.499095 1 W W18 1 0.333221 0.500312 0.499219 1 W W19 1 0.416393 0.625192 0.499093 1 W W20 1 0.499834 0.749924 0.498745 1 W W21 1 0.583333 0.874817 0.498947 1 W W22 1 0.166437 -0.000508 0.501002 1 W W23 1 0.249780 0.124770 0.499337 1 W W24 1 0.333239 0.249952 0.499023 1 W W25 1 0.416583 0.375127 0.498943 1 W W26 1 0.499955 0.500165 0.498689 1 W W27 1 0.583333 0.625108 0.498454 1 W W28 1 0.666833 0.749924 0.498745 1 W W29 1 0.750088 0.874809 0.499948 1 W W30 1 0.333131 -0.000118 0.500229 1 W W31 1 0.416565 0.124886 0.499325 1 W W32 1 0.499932 0.249974 0.499147 1 W W33 1 0.583333 0.375126 0.498911 1 W W34 1 0.666712 0.500165 0.498689 1 W W35 1 0.750274 0.625192 0.499093 1 W W36 1 0.833911 0.750078 0.500715 1 W W37 1 0.916886 0.874874 0.503248 1 W W38 1 0.499909 -0.000182 0.499363 1 W W39 1 0.583333 0.124862 0.499269 1 W W40 1 0.666735 0.249974 0.499147 1 W W41 1 0.750084 0.375127 0.498943 1 W W42 1 0.833445 0.500312 0.499218 1 W W43 1 0.917034 0.625461 0.500939 1 W W44 1 0.666757 -0.000182 0.499363 1 W W45 1 0.750101 0.124886 0.499325 1 W W46 1 0.833427 0.249951 0.499024 1 W W47 1 0.916700 0.375113 0.499095 1 W W48 1 0.833535 -0.000118 0.500229 1 W W49 1 0.916886 0.124770 0.499338 1 S S50 1 0.165525 0.913914 0.392452 1 S S51 1 0.083333 0.542652 0.390682 1 S S52 1 0.164433 0.668915 0.392495 1 S S53 1 0.246599 0.792230 0.392328 1 S S54 1 0.332384 0.916202 0.390526 1 S S55 1 0.083333 0.291817 0.388344 1 S S56 1 0.166603 0.417199 0.388831 1 S S57 1 0.249439 0.542541 0.389401 1 S S58 1 0.332391 0.667101 0.389356 1 S S59 1 0.415592 0.791648 0.389021 1 S S60 1 0.499625 0.916461 0.388649 1 S S61 1 0.083333 0.040766 0.389605 1 S S62 1 0.166540 0.166338 0.388528 1 S S63 1 0.249940 0.291737 0.388358 1 S S64 1 0.333173 0.416968 0.388455 1 S S65 1 0.416323 0.541937 0.388272 1 S S66 1 0.499635 0.666714 0.387948 1 S S67 1 0.583333 0.791607 0.388029 1 S S68 1 0.667042 0.916462 0.388649 1 S S69 1 0.249434 0.040828 0.389463 1 S S70 1 0.333150 0.166386 0.388615 1 S S71 1 0.416608 0.291642 0.388467 1 S S72 1 0.499924 0.416732 0.388260 1 S S73 1 0.583333 0.541750 0.387899 1 S S74 1 0.667032 0.666714 0.387948 1 S S75 1 0.751074 0.791648 0.389021 1 S S76 1 0.834283 0.916202 0.390526 1 S S77 1 0.416274 0.041336 0.388964 1 S S78 1 0.499921 0.166491 0.388672 1 S S79 1 0.583333 0.291600 0.388562 1 S S80 1 0.666743 0.416732 0.388260 1 S S81 1 0.750344 0.541936 0.388272 1 S S82 1 0.834275 0.667101 0.389355 1 S S83 1 0.920067 0.792230 0.392328 1 S S84 1 0.001142 0.913914 0.392452 1 S S85 1 0.583333 0.041447 0.388697 1 S S86 1 0.666745 0.166491 0.388672 1 S S87 1 0.750059 0.291642 0.388467 1 S S88 1 0.833493 0.416968 0.388455 1 S S89 1 0.917228 0.542541 0.389400 1 S S90 1 0.002233 0.668915 0.392495 1 S S91 1 0.750393 0.041336 0.388964 1 S S92 1 0.833516 0.166386 0.388616 1 S S93 1 0.916726 0.291736 0.388358 1 S S94 1 0.000064 0.417198 0.388832 1 S S95 1 0.917232 0.040828 0.389464 1 S S96 1 0.000125 0.166336 0.388527 1 S S97 1 0.083333 0.791665 0.619296 1 S S98 1 0.167345 0.917331 0.614607 1 S S99 1 0.083333 0.540765 0.611897 1 S S100 1 0.167071 0.665867 0.614652 1 S S101 1 0.251133 0.791787 0.614496 1 S S102 1 0.334345 0.917005 0.611710 1 S S103 1 0.083333 0.291623 0.609578 1 S S104 1 0.166761 0.416478 0.610159 1 S S105 1 0.250342 0.541678 0.610807 1 S S106 1 0.333612 0.666633 0.610922 1 S S107 1 0.417044 0.791355 0.610416 1 S S108 1 0.500313 0.916474 0.610054 1 S S109 1 0.083333 0.041813 0.611147 1 S S110 1 0.166586 0.166706 0.609830 1 S S111 1 0.249919 0.291671 0.609589 1 S S112 1 0.333338 0.416803 0.609675 1 S S113 1 0.416779 0.541828 0.609650 1 S S114 1 0.500107 0.666660 0.609398 1 S S115 1 0.583333 0.791437 0.609385 1 S S116 1 0.666354 0.916474 0.610054 1 S S117 1 0.249905 0.041866 0.610841 1 S S118 1 0.333183 0.166638 0.609796 1 S S119 1 0.416556 0.291758 0.609612 1 S S120 1 0.499981 0.416888 0.609438 1 S S121 1 0.583333 0.541864 0.609216 1 S S122 1 0.666560 0.666660 0.609398 1 S S123 1 0.749623 0.791355 0.610416 1 S S124 1 0.832322 0.917005 0.611710 1 S S125 1 0.416833 0.041695 0.610277 1 S S126 1 0.499959 0.166636 0.609829 1 S S127 1 0.583333 0.291789 0.609602 1 S S128 1 0.666686 0.416888 0.609438 1 S S129 1 0.749888 0.541828 0.609649 1 S S130 1 0.833055 0.666633 0.610922 1 S S131 1 0.915533 0.791787 0.614495 1 S S132 1 -0.000679 0.917331 0.614607 1 S S133 1 0.583333 0.041508 0.609898 1 S S134 1 0.666708 0.166637 0.609829 1 S S135 1 0.750111 0.291758 0.609612 1 S S136 1 0.833329 0.416803 0.609675 1 S S137 1 0.916324 0.541678 0.610807 1 S S138 1 -0.000404 0.665867 0.614651 1 S S139 1 0.749834 0.041694 0.610278 1 S S140 1 0.833483 0.166638 0.609796 1 S S141 1 0.916748 0.291671 0.609589 1 S S142 1 -0.000095 0.416478 0.610159 1 S S143 1 0.916762 0.041866 0.610842 1 S S144 1 0.000081 0.166706 0.609830 1