# generated using pymatgen data_OsW47S96 _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 OsW47S96 _chemical_formula_sum 'Os1 W47 S96' _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 0.000030 0.736681 0.499999 1 W W2 1 0.083164 0.879881 0.499994 1 W W3 1 -0.000001 0.498015 0.500000 1 W W4 1 0.083027 0.623446 0.500002 1 W W5 1 0.167333 0.749780 0.500000 1 W W6 1 0.249041 0.875556 0.499994 1 W W7 1 0.000001 0.249746 0.499995 1 W W8 1 0.083483 0.374219 0.499999 1 W W9 1 0.166816 0.499462 0.500004 1 W W10 1 0.249093 0.625101 0.500006 1 W W11 1 0.332393 0.751202 0.500002 1 W W12 1 0.416639 0.875370 0.499995 1 W W13 1 -0.000001 0.001551 0.499987 1 W W14 1 0.083616 0.125516 0.499989 1 W W15 1 0.166931 0.249708 0.499993 1 W W16 1 0.250510 0.374841 0.500002 1 W W17 1 0.333434 0.499973 0.500007 1 W W18 1 0.416364 0.625552 0.500009 1 W W19 1 0.499999 0.750623 0.500002 1 W W20 1 0.583360 0.875370 0.499994 1 W W21 1 0.167049 -0.000042 0.499990 1 W W22 1 0.250281 0.125211 0.499991 1 W W23 1 0.333558 0.250156 0.499997 1 W W24 1 0.416629 0.375371 0.500007 1 W W25 1 0.500001 0.500631 0.500009 1 W W26 1 0.583636 0.625552 0.500006 1 W W27 1 0.667609 0.751203 0.499999 1 W W28 1 0.750958 0.875555 0.499993 1 W W29 1 0.333472 0.000281 0.499990 1 W W30 1 0.416724 0.125214 0.499995 1 W W31 1 0.499999 0.250272 0.500003 1 W W32 1 0.583371 0.375371 0.500008 1 W W33 1 0.666564 0.499972 0.500004 1 W W34 1 0.750906 0.625102 0.500003 1 W W35 1 0.832645 0.749779 0.499997 1 W W36 1 0.916837 0.879875 0.499994 1 W W37 1 0.500001 0.000308 0.499995 1 W W38 1 0.583277 0.125214 0.499996 1 W W39 1 0.666444 0.250156 0.500002 1 W W40 1 0.749490 0.374839 0.500005 1 W W41 1 0.833186 0.499463 0.500004 1 W W42 1 0.916968 0.623448 0.500001 1 W W43 1 0.666525 0.000282 0.499992 1 W W44 1 0.749720 0.125212 0.499996 1 W W45 1 0.833067 0.249708 0.499998 1 W W46 1 0.916517 0.374219 0.500000 1 W W47 1 0.832952 -0.000042 0.499992 1 W W48 1 0.916384 0.125516 0.499992 1 S S49 1 0.077633 0.790998 0.395941 1 S S50 1 0.166926 0.917301 0.387684 1 S S51 1 0.083311 0.540148 0.389687 1 S S52 1 0.165952 0.666820 0.389612 1 S S53 1 0.248841 0.792374 0.388969 1 S S54 1 0.333082 0.916886 0.389819 1 S S55 1 0.083518 0.291151 0.389415 1 S S56 1 0.166903 0.416126 0.389629 1 S S57 1 0.249986 0.541726 0.389537 1 S S58 1 0.332732 0.667333 0.390057 1 S S59 1 0.416339 0.792113 0.389549 1 S S60 1 0.500000 0.916951 0.389514 1 S S61 1 0.083791 0.042524 0.389375 1 S S62 1 0.167030 0.166680 0.389379 1 S S63 1 0.250196 0.291601 0.389521 1 S S64 1 0.333452 0.416824 0.389399 1 S S65 1 0.416528 0.542227 0.389620 1 S S66 1 0.500000 0.667236 0.389779 1 S S67 1 0.583660 0.792112 0.389550 1 S S68 1 0.666918 0.916886 0.389818 1 S S69 1 0.250176 0.041888 0.389513 1 S S70 1 0.333576 0.166864 0.389460 1 S S71 1 0.416778 0.291989 0.389514 1 S S72 1 0.500000 0.417153 0.389637 1 S S73 1 0.583472 0.542227 0.389618 1 S S74 1 0.667267 0.667333 0.390056 1 S S75 1 0.751154 0.792376 0.388962 1 S S76 1 0.833075 0.917300 0.387685 1 S S77 1 0.416738 0.041927 0.389458 1 S S78 1 0.500000 0.166929 0.389557 1 S S79 1 0.583222 0.291989 0.389514 1 S S80 1 0.666548 0.416824 0.389397 1 S S81 1 0.750014 0.541726 0.389538 1 S S82 1 0.834048 0.666820 0.389612 1 S S83 1 0.922376 0.790983 0.395958 1 S S84 1 -0.000000 0.919197 0.389121 1 S S85 1 0.583262 0.041927 0.389455 1 S S86 1 0.666424 0.166864 0.389457 1 S S87 1 0.749804 0.291601 0.389518 1 S S88 1 0.833096 0.416126 0.389629 1 S S89 1 0.916688 0.540150 0.389688 1 S S90 1 -0.000001 0.659989 0.384241 1 S S91 1 0.749824 0.041887 0.389511 1 S S92 1 0.832971 0.166680 0.389376 1 S S93 1 0.916482 0.291151 0.389414 1 S S94 1 -0.000000 0.415219 0.389193 1 S S95 1 0.916209 0.042524 0.389373 1 S S96 1 0.000000 0.166653 0.389401 1 S S97 1 0.077631 0.790997 0.604061 1 S S98 1 0.166925 0.917300 0.612328 1 S S99 1 0.083311 0.540148 0.610304 1 S S100 1 0.165952 0.666819 0.610386 1 S S101 1 0.248841 0.792371 0.611033 1 S S102 1 0.333084 0.916884 0.610193 1 S S103 1 0.083519 0.291153 0.610586 1 S S104 1 0.166902 0.416125 0.610365 1 S S105 1 0.249985 0.541726 0.610453 1 S S106 1 0.332734 0.667331 0.609937 1 S S107 1 0.416338 0.792112 0.610451 1 S S108 1 0.500000 0.916948 0.610494 1 S S109 1 0.083791 0.042522 0.610638 1 S S110 1 0.167027 0.166680 0.610637 1 S S111 1 0.250196 0.291604 0.610482 1 S S112 1 0.333452 0.416825 0.610595 1 S S113 1 0.416528 0.542226 0.610369 1 S S114 1 0.500000 0.667232 0.610209 1 S S115 1 0.583661 0.792111 0.610450 1 S S116 1 0.666916 0.916885 0.610191 1 S S117 1 0.250174 0.041889 0.610502 1 S S118 1 0.333575 0.166868 0.610555 1 S S119 1 0.416779 0.291990 0.610491 1 S S120 1 0.500000 0.417153 0.610348 1 S S121 1 0.583472 0.542227 0.610368 1 S S122 1 0.667265 0.667331 0.609937 1 S S123 1 0.751153 0.792375 0.611040 1 S S124 1 0.833076 0.917298 0.612325 1 S S125 1 0.416738 0.041926 0.610556 1 S S126 1 0.500000 0.166932 0.610453 1 S S127 1 0.583221 0.291989 0.610488 1 S S128 1 0.666548 0.416824 0.610595 1 S S129 1 0.750013 0.541726 0.610451 1 S S130 1 0.834048 0.666819 0.610385 1 S S131 1 0.922377 0.790981 0.604042 1 S S132 1 -0.000001 0.919196 0.610890 1 S S133 1 0.583263 0.041927 0.610556 1 S S134 1 0.666426 0.166867 0.610552 1 S S135 1 0.749804 0.291603 0.610480 1 S S136 1 0.833097 0.416126 0.610364 1 S S137 1 0.916689 0.540149 0.610304 1 S S138 1 -0.000000 0.659987 0.615753 1 S S139 1 0.749825 0.041889 0.610498 1 S S140 1 0.832973 0.166680 0.610634 1 S S141 1 0.916481 0.291153 0.610584 1 S S142 1 -0.000000 0.415220 0.610803 1 S S143 1 0.916209 0.042523 0.610637 1 S S144 1 -0.000000 0.166654 0.610607 1