# 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 0.791655 0.373209 1 W W2 1 0.001409 0.750742 0.506990 1 W W3 1 0.083333 0.873570 0.507007 1 W W4 1 -0.000037 0.500283 0.500223 1 W W5 1 0.083333 0.625324 0.503428 1 W W6 1 0.165259 0.750742 0.506992 1 W W7 1 0.249743 0.874845 0.503311 1 W W8 1 0.000026 0.249948 0.498889 1 W W9 1 0.083333 0.375175 0.499232 1 W W10 1 0.166704 0.500283 0.500223 1 W W11 1 0.249605 0.625490 0.500903 1 W W12 1 0.332753 0.750095 0.500682 1 W W13 1 0.416552 0.874797 0.499898 1 W W14 1 0.000217 -0.000559 0.500920 1 W W15 1 0.083333 0.124613 0.499309 1 W W16 1 0.166641 0.249948 0.498890 1 W W17 1 0.249971 0.375132 0.499119 1 W W18 1 0.333197 0.500367 0.499197 1 W W19 1 0.416360 0.625226 0.499009 1 W W20 1 0.499816 0.749930 0.498604 1 W W21 1 0.583333 0.874808 0.498848 1 W W22 1 0.166450 -0.000559 0.500919 1 W W23 1 0.249765 0.124716 0.499232 1 W W24 1 0.333237 0.249929 0.499092 1 W W25 1 0.416569 0.375149 0.499096 1 W W26 1 0.499951 0.500186 0.498715 1 W W27 1 0.583333 0.625140 0.498333 1 W W28 1 0.666851 0.749930 0.498604 1 W W29 1 0.750115 0.874797 0.499898 1 W W30 1 0.333116 -0.000152 0.500181 1 W W31 1 0.416559 0.124869 0.499359 1 W W32 1 0.499939 0.249978 0.499374 1 W W33 1 0.583333 0.375138 0.499115 1 W W34 1 0.666715 0.500186 0.498714 1 W W35 1 0.750308 0.625226 0.499008 1 W W36 1 0.833914 0.750095 0.500681 1 W W37 1 0.916924 0.874845 0.503311 1 W W38 1 0.499886 -0.000206 0.499363 1 W W39 1 0.583333 0.124854 0.499418 1 W W40 1 0.666728 0.249978 0.499373 1 W W41 1 0.750097 0.375149 0.499095 1 W W42 1 0.833470 0.500367 0.499196 1 W W43 1 0.917062 0.625490 0.500901 1 W W44 1 0.666780 -0.000206 0.499363 1 W W45 1 0.750108 0.124869 0.499360 1 W W46 1 0.833430 0.249929 0.499092 1 W W47 1 0.916696 0.375132 0.499119 1 W W48 1 0.833550 -0.000152 0.500181 1 W W49 1 0.916902 0.124716 0.499232 1 S S50 1 0.165466 0.913783 0.392457 1 S S51 1 0.083334 0.542717 0.390662 1 S S52 1 0.164378 0.669016 0.392504 1 S S53 1 0.246524 0.792229 0.392384 1 S S54 1 0.332337 0.916158 0.390486 1 S S55 1 0.083333 0.291808 0.388327 1 S S56 1 0.166616 0.417227 0.388791 1 S S57 1 0.249429 0.542596 0.389304 1 S S58 1 0.332322 0.667146 0.389276 1 S S59 1 0.415544 0.791642 0.388874 1 S S60 1 0.499605 0.916459 0.388558 1 S S61 1 0.083333 0.040649 0.389488 1 S S62 1 0.166554 0.166313 0.388403 1 S S63 1 0.249977 0.291738 0.388374 1 S S64 1 0.333196 0.416982 0.388503 1 S S65 1 0.416321 0.541937 0.388220 1 S S66 1 0.499622 0.666724 0.387809 1 S S67 1 0.583333 0.791628 0.387858 1 S S68 1 0.667062 0.916459 0.388558 1 S S69 1 0.249421 0.040769 0.389288 1 S S70 1 0.333172 0.166379 0.388575 1 S S71 1 0.416649 0.291648 0.388624 1 S S72 1 0.499936 0.416709 0.388381 1 S S73 1 0.583332 0.541737 0.387859 1 S S74 1 0.667045 0.666724 0.387808 1 S S75 1 0.751123 0.791642 0.388874 1 S S76 1 0.834329 0.916159 0.390486 1 S S77 1 0.416272 0.041333 0.388900 1 S S78 1 0.499952 0.166527 0.388810 1 S S79 1 0.583333 0.291600 0.388778 1 S S80 1 0.666731 0.416708 0.388381 1 S S81 1 0.750346 0.541937 0.388219 1 S S82 1 0.834345 0.667146 0.389274 1 S S83 1 0.920142 0.792230 0.392383 1 S S84 1 0.001200 0.913784 0.392457 1 S S85 1 0.583333 0.041463 0.388737 1 S S86 1 0.666714 0.166527 0.388810 1 S S87 1 0.750017 0.291648 0.388624 1 S S88 1 0.833471 0.416982 0.388503 1 S S89 1 0.917238 0.542596 0.389303 1 S S90 1 0.002290 0.669016 0.392502 1 S S91 1 0.750394 0.041333 0.388901 1 S S92 1 0.833494 0.166379 0.388575 1 S S93 1 0.916689 0.291738 0.388374 1 S S94 1 0.000050 0.417227 0.388791 1 S S95 1 0.917245 0.040769 0.389288 1 S S96 1 0.000113 0.166313 0.388404 1 S S97 1 0.083334 0.791664 0.619562 1 S S98 1 0.167299 0.917310 0.614634 1 S S99 1 0.083333 0.540824 0.611905 1 S S100 1 0.167068 0.665923 0.614656 1 S S101 1 0.251107 0.791759 0.614538 1 S S102 1 0.334333 0.916990 0.611729 1 S S103 1 0.083333 0.291606 0.609564 1 S S104 1 0.166759 0.416512 0.610182 1 S S105 1 0.250308 0.541752 0.610812 1 S S106 1 0.333580 0.666664 0.610876 1 S S107 1 0.417030 0.791342 0.610386 1 S S108 1 0.500311 0.916422 0.610050 1 S S109 1 0.083333 0.041745 0.611050 1 S S110 1 0.166585 0.166637 0.609762 1 S S111 1 0.249904 0.291662 0.609624 1 S S112 1 0.333301 0.416873 0.609759 1 S S113 1 0.416746 0.541882 0.609651 1 S S114 1 0.500110 0.666685 0.609305 1 S S115 1 0.583334 0.791407 0.609295 1 S S116 1 0.666355 0.916422 0.610050 1 S S117 1 0.249866 0.041808 0.610796 1 S S118 1 0.333122 0.166580 0.609827 1 S S119 1 0.416497 0.291759 0.609779 1 S S120 1 0.499961 0.416947 0.609600 1 S S121 1 0.583333 0.541947 0.609218 1 S S122 1 0.666557 0.666685 0.609305 1 S S123 1 0.749637 0.791342 0.610385 1 S S124 1 0.832334 0.916990 0.611728 1 S S125 1 0.416796 0.041672 0.610315 1 S S126 1 0.499922 0.166591 0.610008 1 S S127 1 0.583333 0.291798 0.609892 1 S S128 1 0.666706 0.416947 0.609600 1 S S129 1 0.749921 0.541883 0.609651 1 S S130 1 0.833088 0.666665 0.610875 1 S S131 1 0.915562 0.791758 0.614536 1 S S132 1 -0.000632 0.917310 0.614634 1 S S133 1 0.583333 0.041458 0.609987 1 S S134 1 0.666744 0.166591 0.610008 1 S S135 1 0.750169 0.291762 0.609779 1 S S136 1 0.833365 0.416874 0.609759 1 S S137 1 0.916358 0.541753 0.610811 1 S S138 1 -0.000401 0.665925 0.614653 1 S S139 1 0.749869 0.041672 0.610315 1 S S140 1 0.833544 0.166580 0.609827 1 S S141 1 0.916762 0.291662 0.609625 1 S S142 1 -0.000093 0.416512 0.610182 1 S S143 1 0.916801 0.041808 0.610797 1 S S144 1 0.000082 0.166638 0.609763 1