# generated using pymatgen data_OsW48S95 _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 OsW48S95 _chemical_formula_sum 'Os1 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 Os Os1 1 0.083333 0.791536 0.379118 1 W W2 1 0.000372 0.750307 0.504577 1 W W3 1 0.083334 0.874478 0.504562 1 W W4 1 -0.000181 0.499910 0.500077 1 W W5 1 0.083333 0.624418 0.502063 1 W W6 1 0.166294 0.750307 0.504577 1 W W7 1 0.250663 0.875300 0.502050 1 W W8 1 0.000075 0.249920 0.499246 1 W W9 1 0.083333 0.374932 0.499569 1 W W10 1 0.166847 0.499910 0.500077 1 W W11 1 0.249795 0.625128 0.500602 1 W W12 1 0.333254 0.750169 0.500527 1 W W13 1 0.416938 0.874863 0.499920 1 W W14 1 -0.000095 -0.000202 0.500580 1 W W15 1 0.083333 0.124714 0.499393 1 W W16 1 0.166592 0.249920 0.499246 1 W W17 1 0.249983 0.374988 0.499462 1 W W18 1 0.333335 0.500203 0.499430 1 W W19 1 0.416462 0.625235 0.499352 1 W W20 1 0.500022 0.749974 0.499095 1 W W21 1 0.583333 0.874799 0.499322 1 W W22 1 0.166762 -0.000202 0.500580 1 W W23 1 0.249855 0.124941 0.499381 1 W W24 1 0.333196 0.250000 0.499427 1 W W25 1 0.416552 0.375180 0.499510 1 W W26 1 0.499998 0.500252 0.499243 1 W W27 1 0.583333 0.625188 0.498932 1 W W28 1 0.666645 0.749974 0.499095 1 W W29 1 0.749729 0.874863 0.499920 1 W W30 1 0.333361 0.000087 0.500087 1 W W31 1 0.416608 0.125033 0.499638 1 W W32 1 0.499929 0.250081 0.499732 1 W W33 1 0.583333 0.375269 0.499619 1 W W34 1 0.666668 0.500252 0.499242 1 W W35 1 0.750204 0.625235 0.499352 1 W W36 1 0.833413 0.750169 0.500527 1 W W37 1 0.916003 0.875300 0.502050 1 W W38 1 0.499972 -0.000084 0.499732 1 W W39 1 0.583333 0.124931 0.499784 1 W W40 1 0.666738 0.250081 0.499732 1 W W41 1 0.750114 0.375180 0.499510 1 W W42 1 0.833332 0.500204 0.499430 1 W W43 1 0.916871 0.625128 0.500602 1 W W44 1 0.666695 -0.000084 0.499732 1 W W45 1 0.750059 0.125033 0.499638 1 W W46 1 0.833471 0.250000 0.499427 1 W W47 1 0.916683 0.374988 0.499462 1 W W48 1 0.833306 0.000087 0.500087 1 W W49 1 0.916812 0.124941 0.499381 1 S S50 1 0.166717 0.915124 0.391159 1 S S51 1 0.083333 0.541665 0.390083 1 S S52 1 0.165210 0.667435 0.391158 1 S S53 1 0.248670 0.792389 0.391127 1 S S54 1 0.333384 0.916580 0.389939 1 S S55 1 0.083333 0.291651 0.388606 1 S S56 1 0.166634 0.416745 0.388956 1 S S57 1 0.249691 0.542080 0.389223 1 S S58 1 0.332780 0.666987 0.389147 1 S S59 1 0.416216 0.791649 0.388914 1 S S60 1 0.499944 0.916545 0.388842 1 S S61 1 0.083333 0.040984 0.389202 1 S S62 1 0.166567 0.166412 0.388574 1 S S63 1 0.249925 0.291634 0.388686 1 S S64 1 0.333215 0.416811 0.388803 1 S S65 1 0.416462 0.541914 0.388607 1 S S66 1 0.499771 0.666731 0.388272 1 S S67 1 0.583333 0.791601 0.388238 1 S S68 1 0.666723 0.916545 0.388842 1 S S69 1 0.249808 0.041187 0.389160 1 S S70 1 0.333240 0.166538 0.388802 1 S S71 1 0.416629 0.291706 0.389016 1 S S72 1 0.499944 0.416784 0.388914 1 S S73 1 0.583333 0.541805 0.388441 1 S S74 1 0.666896 0.666731 0.388272 1 S S75 1 0.750451 0.791649 0.388914 1 S S76 1 0.833283 0.916580 0.389939 1 S S77 1 0.416579 0.041548 0.389085 1 S S78 1 0.499992 0.166621 0.389168 1 S S79 1 0.583333 0.291735 0.389258 1 S S80 1 0.666722 0.416784 0.388914 1 S S81 1 0.750205 0.541914 0.388607 1 S S82 1 0.833887 0.666987 0.389147 1 S S83 1 0.917997 0.792389 0.391127 1 S S84 1 -0.000050 0.915124 0.391159 1 S S85 1 0.583333 0.041528 0.389135 1 S S86 1 0.666674 0.166621 0.389168 1 S S87 1 0.750038 0.291706 0.389016 1 S S88 1 0.833452 0.416811 0.388803 1 S S89 1 0.916976 0.542080 0.389223 1 S S90 1 0.001457 0.667435 0.391158 1 S S91 1 0.750087 0.041548 0.389085 1 S S92 1 0.833427 0.166538 0.388802 1 S S93 1 0.916742 0.291634 0.388685 1 S S94 1 0.000033 0.416745 0.388956 1 S S95 1 0.916859 0.041187 0.389160 1 S S96 1 0.000100 0.166412 0.388574 1 S S97 1 0.083333 0.791635 0.616769 1 S S98 1 0.167750 0.917265 0.612987 1 S S99 1 0.083333 0.540441 0.611445 1 S S100 1 0.166829 0.665559 0.613016 1 S S101 1 0.251278 0.792095 0.613091 1 S S102 1 0.334638 0.917123 0.611495 1 S S103 1 0.083333 0.291457 0.610039 1 S S104 1 0.166741 0.416338 0.610426 1 S S105 1 0.250287 0.541477 0.610744 1 S S106 1 0.333481 0.666685 0.610794 1 S S107 1 0.417203 0.791467 0.610587 1 S S108 1 0.500359 0.916461 0.610415 1 S S109 1 0.083333 0.041666 0.610785 1 S S110 1 0.166551 0.166551 0.610029 1 S S111 1 0.249820 0.291555 0.610032 1 S S112 1 0.333232 0.416793 0.610138 1 S S113 1 0.416666 0.541896 0.610033 1 S S114 1 0.500061 0.666720 0.609832 1 S S115 1 0.583333 0.791422 0.609959 1 S S116 1 0.666307 0.916460 0.610415 1 S S117 1 0.250107 0.041927 0.610716 1 S S118 1 0.333101 0.166649 0.610125 1 S S119 1 0.416444 0.291760 0.610133 1 S S120 1 0.499889 0.416973 0.610051 1 S S121 1 0.583333 0.541983 0.609778 1 S S122 1 0.666606 0.666720 0.609832 1 S S123 1 0.749463 0.791467 0.610587 1 S S124 1 0.832029 0.917123 0.611495 1 S S125 1 0.416824 0.041771 0.610526 1 S S126 1 0.499902 0.166657 0.610279 1 S S127 1 0.583333 0.291820 0.610201 1 S S128 1 0.666778 0.416973 0.610051 1 S S129 1 0.750001 0.541897 0.610032 1 S S130 1 0.833186 0.666685 0.610794 1 S S131 1 0.915388 0.792095 0.613091 1 S S132 1 -0.001084 0.917265 0.612987 1 S S133 1 0.583333 0.041517 0.610359 1 S S134 1 0.666765 0.166657 0.610279 1 S S135 1 0.750223 0.291760 0.610133 1 S S136 1 0.833435 0.416793 0.610138 1 S S137 1 0.916380 0.541477 0.610744 1 S S138 1 -0.000163 0.665559 0.613016 1 S S139 1 0.749842 0.041771 0.610526 1 S S140 1 0.833565 0.166649 0.610125 1 S S141 1 0.916846 0.291555 0.610032 1 S S142 1 -0.000074 0.416338 0.610426 1 S S143 1 0.916560 0.041927 0.610716 1 S S144 1 0.000115 0.166551 0.610029 1