# 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 0.791680 0.378075 1 W W2 1 -0.000052 0.750007 0.504459 1 W W3 1 0.083333 0.875068 0.504454 1 W W4 1 -0.000179 0.499945 0.500053 1 W W5 1 0.083333 0.624784 0.502053 1 W W6 1 0.166718 0.750007 0.504459 1 W W7 1 0.250282 0.875125 0.501989 1 W W8 1 0.000013 0.250066 0.499337 1 W W9 1 0.083333 0.375038 0.499501 1 W W10 1 0.166846 0.499945 0.500054 1 W W11 1 0.249893 0.625059 0.500576 1 W W12 1 0.333244 0.750039 0.500464 1 W W13 1 0.416864 0.874863 0.499780 1 W W14 1 -0.000024 -0.000088 0.500541 1 W W15 1 0.083333 0.125035 0.499615 1 W W16 1 0.166654 0.250066 0.499337 1 W W17 1 0.250055 0.375017 0.499478 1 W W18 1 0.333390 0.500036 0.499567 1 W W19 1 0.416672 0.624980 0.499513 1 W W20 1 0.499993 0.749885 0.499170 1 W W21 1 0.583333 0.874872 0.499200 1 W W22 1 0.166690 -0.000088 0.500541 1 W W23 1 0.249972 0.125044 0.499502 1 W W24 1 0.333326 0.250032 0.499482 1 W W25 1 0.416688 0.375037 0.499580 1 W W26 1 0.500030 0.500002 0.499358 1 W W27 1 0.583333 0.624927 0.499097 1 W W28 1 0.666674 0.749886 0.499170 1 W W29 1 0.749803 0.874863 0.499780 1 W W30 1 0.333365 0.000150 0.499944 1 W W31 1 0.416667 0.125043 0.499549 1 W W32 1 0.500020 0.250023 0.499713 1 W W33 1 0.583333 0.375012 0.499642 1 W W34 1 0.666637 0.500002 0.499358 1 W W35 1 0.749995 0.624980 0.499513 1 W W36 1 0.833423 0.750040 0.500464 1 W W37 1 0.916385 0.875125 0.501989 1 W W38 1 0.500023 -0.000058 0.499482 1 W W39 1 0.583333 0.124972 0.499633 1 W W40 1 0.666646 0.250023 0.499713 1 W W41 1 0.749978 0.375037 0.499580 1 W W42 1 0.833277 0.500036 0.499567 1 W W43 1 0.916774 0.625059 0.500577 1 W W44 1 0.666644 -0.000058 0.499483 1 W W45 1 0.749999 0.125043 0.499549 1 W W46 1 0.833341 0.250032 0.499482 1 W W47 1 0.916612 0.375017 0.499478 1 W W48 1 0.833301 0.000150 0.499944 1 W W49 1 0.916695 0.125044 0.499501 1 S S50 1 0.166453 0.915234 0.391059 1 S S51 1 0.083333 0.541901 0.390101 1 S S52 1 0.165338 0.667570 0.391094 1 S S53 1 0.248450 0.792238 0.391032 1 S S54 1 0.333104 0.916558 0.389915 1 S S55 1 0.083333 0.291774 0.388566 1 S S56 1 0.166704 0.416822 0.388872 1 S S57 1 0.249860 0.541991 0.389248 1 S S58 1 0.333000 0.666788 0.389374 1 S S59 1 0.416205 0.791571 0.388941 1 S S60 1 0.499905 0.916596 0.388638 1 S S61 1 0.083333 0.041389 0.389443 1 S S62 1 0.166633 0.166628 0.388693 1 S S63 1 0.250045 0.291711 0.388631 1 S S64 1 0.333380 0.416725 0.388766 1 S S65 1 0.416607 0.541681 0.388677 1 S S66 1 0.499868 0.666573 0.388414 1 S S67 1 0.583333 0.791561 0.388335 1 S S68 1 0.666762 0.916596 0.388637 1 S S69 1 0.249772 0.041407 0.389180 1 S S70 1 0.333329 0.166668 0.388729 1 S S71 1 0.416743 0.291685 0.388870 1 S S72 1 0.500023 0.416596 0.388765 1 S S73 1 0.583333 0.541560 0.388421 1 S S74 1 0.666799 0.666573 0.388414 1 S S75 1 0.750462 0.791571 0.388941 1 S S76 1 0.833563 0.916558 0.389915 1 S S77 1 0.416593 0.041652 0.388864 1 S S78 1 0.500040 0.166708 0.388901 1 S S79 1 0.583333 0.291661 0.388955 1 S S80 1 0.666644 0.416596 0.388765 1 S S81 1 0.750059 0.541681 0.388677 1 S S82 1 0.833667 0.666788 0.389374 1 S S83 1 0.918217 0.792238 0.391033 1 S S84 1 0.000213 0.915234 0.391060 1 S S85 1 0.583333 0.041662 0.388764 1 S S86 1 0.666627 0.166708 0.388901 1 S S87 1 0.749924 0.291685 0.388869 1 S S88 1 0.833286 0.416726 0.388766 1 S S89 1 0.916807 0.541991 0.389249 1 S S90 1 0.001328 0.667570 0.391094 1 S S91 1 0.750074 0.041652 0.388864 1 S S92 1 0.833338 0.166668 0.388728 1 S S93 1 0.916621 0.291710 0.388632 1 S S94 1 -0.000037 0.416822 0.388871 1 S S95 1 0.916894 0.041407 0.389180 1 S S96 1 0.000034 0.166628 0.388693 1 S S97 1 0.083334 0.791680 0.615845 1 S S98 1 0.167634 0.917409 0.613340 1 S S99 1 0.083333 0.540713 0.611321 1 S S100 1 0.166942 0.665637 0.613380 1 S S101 1 0.251259 0.792001 0.613332 1 S S102 1 0.334418 0.917104 0.611164 1 S S103 1 0.083333 0.291668 0.610143 1 S S104 1 0.166763 0.416426 0.610432 1 S S105 1 0.250341 0.541462 0.610788 1 S S106 1 0.333642 0.666546 0.610814 1 S S107 1 0.417144 0.791492 0.610506 1 S S108 1 0.500317 0.916582 0.610247 1 S S109 1 0.083333 0.041937 0.610842 1 S S110 1 0.166677 0.166821 0.610225 1 S S111 1 0.249966 0.291663 0.610181 1 S S112 1 0.333366 0.416660 0.610316 1 S S113 1 0.416817 0.541646 0.610259 1 S S114 1 0.500177 0.666605 0.610004 1 S S115 1 0.583333 0.791511 0.609888 1 S S116 1 0.666350 0.916582 0.610247 1 S S117 1 0.250111 0.042017 0.610690 1 S S118 1 0.333320 0.166735 0.610264 1 S S119 1 0.416615 0.291692 0.610363 1 S S120 1 0.500011 0.416753 0.610313 1 S S121 1 0.583333 0.541712 0.610047 1 S S122 1 0.666490 0.666605 0.610004 1 S S123 1 0.749523 0.791492 0.610506 1 S S124 1 0.832249 0.917104 0.611164 1 S S125 1 0.416892 0.041800 0.610405 1 S S126 1 0.499996 0.166651 0.610403 1 S S127 1 0.583333 0.291710 0.610509 1 S S128 1 0.666655 0.416753 0.610313 1 S S129 1 0.749849 0.541646 0.610259 1 S S130 1 0.833025 0.666546 0.610814 1 S S131 1 0.915408 0.792001 0.613332 1 S S132 1 -0.000967 0.917409 0.613340 1 S S133 1 0.583333 0.041581 0.610303 1 S S134 1 0.666670 0.166651 0.610402 1 S S135 1 0.750051 0.291692 0.610363 1 S S136 1 0.833301 0.416660 0.610316 1 S S137 1 0.916326 0.541461 0.610787 1 S S138 1 -0.000275 0.665637 0.613381 1 S S139 1 0.749775 0.041801 0.610405 1 S S140 1 0.833347 0.166734 0.610263 1 S S141 1 0.916701 0.291663 0.610181 1 S S142 1 -0.000096 0.416426 0.610431 1 S S143 1 0.916555 0.042018 0.610690 1 S S144 1 -0.000011 0.166820 0.610225 1