# 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 0.791720 0.378604 1 W W2 1 0.000319 0.750230 0.504572 1 W W3 1 0.083333 0.874660 0.504687 1 W W4 1 -0.000142 0.499932 0.500072 1 W W5 1 0.083333 0.624527 0.502050 1 W W6 1 0.166348 0.750230 0.504572 1 W W7 1 0.250550 0.875243 0.502074 1 W W8 1 0.000072 0.249917 0.499251 1 W W9 1 0.083333 0.374960 0.499541 1 W W10 1 0.166809 0.499932 0.500072 1 W W11 1 0.249803 0.625121 0.500582 1 W W12 1 0.333224 0.750144 0.500535 1 W W13 1 0.416921 0.874871 0.499923 1 W W14 1 -0.000061 -0.000213 0.500600 1 W W15 1 0.083333 0.124738 0.499444 1 W W16 1 0.166595 0.249918 0.499250 1 W W17 1 0.249993 0.375016 0.499442 1 W W18 1 0.333303 0.500196 0.499453 1 W W19 1 0.416507 0.625193 0.499384 1 W W20 1 0.500022 0.749990 0.499144 1 W W21 1 0.583333 0.874818 0.499337 1 W W22 1 0.166727 -0.000213 0.500600 1 W W23 1 0.249876 0.124888 0.499404 1 W W24 1 0.333216 0.249967 0.499412 1 W W25 1 0.416566 0.375181 0.499480 1 W W26 1 0.500000 0.500254 0.499245 1 W W27 1 0.583333 0.625161 0.498960 1 W W28 1 0.666644 0.749990 0.499144 1 W W29 1 0.749746 0.874871 0.499923 1 W W30 1 0.333363 0.000070 0.500076 1 W W31 1 0.416603 0.124981 0.499616 1 W W32 1 0.499954 0.250050 0.499689 1 W W33 1 0.583333 0.375245 0.499569 1 W W34 1 0.666667 0.500254 0.499245 1 W W35 1 0.750160 0.625193 0.499384 1 W W36 1 0.833443 0.750144 0.500535 1 W W37 1 0.916116 0.875243 0.502074 1 W W38 1 0.499996 -0.000106 0.499702 1 W W39 1 0.583333 0.124891 0.499748 1 W W40 1 0.666713 0.250050 0.499688 1 W W41 1 0.750101 0.375181 0.499480 1 W W42 1 0.833363 0.500196 0.499453 1 W W43 1 0.916864 0.625121 0.500582 1 W W44 1 0.666670 -0.000106 0.499702 1 W W45 1 0.750063 0.124981 0.499616 1 W W46 1 0.833451 0.249967 0.499412 1 W W47 1 0.916674 0.375016 0.499442 1 W W48 1 0.833304 0.000070 0.500076 1 W W49 1 0.916791 0.124888 0.499404 1 S S50 1 0.166625 0.915094 0.391126 1 S S51 1 0.083333 0.541742 0.389992 1 S S52 1 0.165196 0.667487 0.391085 1 S S53 1 0.248565 0.792364 0.391095 1 S S54 1 0.333305 0.916557 0.389934 1 S S55 1 0.083333 0.291674 0.388568 1 S S56 1 0.166632 0.416800 0.388891 1 S S57 1 0.249670 0.542083 0.389167 1 S S58 1 0.332806 0.666951 0.389171 1 S S59 1 0.416201 0.791654 0.388934 1 S S60 1 0.499944 0.916555 0.388771 1 S S61 1 0.083333 0.041029 0.389222 1 S S62 1 0.166582 0.166398 0.388565 1 S S63 1 0.249940 0.291648 0.388665 1 S S64 1 0.333218 0.416845 0.388754 1 S S65 1 0.416458 0.541900 0.388570 1 S S66 1 0.499777 0.666739 0.388267 1 S S67 1 0.583333 0.791632 0.388236 1 S S68 1 0.666722 0.916555 0.388771 1 S S69 1 0.249790 0.041164 0.389119 1 S S70 1 0.333252 0.166496 0.388764 1 S S71 1 0.416638 0.291710 0.388987 1 S S72 1 0.499947 0.416810 0.388843 1 S S73 1 0.583334 0.541808 0.388346 1 S S74 1 0.666890 0.666739 0.388267 1 S S75 1 0.750466 0.791654 0.388934 1 S S76 1 0.833362 0.916557 0.389934 1 S S77 1 0.416589 0.041514 0.388996 1 S S78 1 0.500000 0.166588 0.389098 1 S S79 1 0.583333 0.291735 0.389185 1 S S80 1 0.666720 0.416809 0.388844 1 S S81 1 0.750209 0.541899 0.388570 1 S S82 1 0.833861 0.666951 0.389171 1 S S83 1 0.918102 0.792364 0.391095 1 S S84 1 0.000042 0.915094 0.391126 1 S S85 1 0.583333 0.041512 0.388995 1 S S86 1 0.666667 0.166588 0.389097 1 S S87 1 0.750029 0.291710 0.388987 1 S S88 1 0.833449 0.416845 0.388754 1 S S89 1 0.916997 0.542083 0.389167 1 S S90 1 0.001471 0.667487 0.391085 1 S S91 1 0.750078 0.041514 0.388995 1 S S92 1 0.833414 0.166495 0.388763 1 S S93 1 0.916727 0.291649 0.388665 1 S S94 1 0.000035 0.416800 0.388891 1 S S95 1 0.916877 0.041164 0.389119 1 S S96 1 0.000085 0.166398 0.388566 1 S S97 1 0.083333 0.791654 0.616587 1 S S98 1 0.167750 0.917309 0.613189 1 S S99 1 0.083333 0.540522 0.611510 1 S S100 1 0.166845 0.665582 0.613144 1 S S101 1 0.251234 0.792071 0.613166 1 S S102 1 0.334593 0.917116 0.611500 1 S S103 1 0.083333 0.291497 0.610050 1 S S104 1 0.166729 0.416385 0.610446 1 S S105 1 0.250259 0.541488 0.610810 1 S S106 1 0.333502 0.666641 0.610833 1 S S107 1 0.417185 0.791488 0.610634 1 S S108 1 0.500357 0.916495 0.610478 1 S S109 1 0.083333 0.041707 0.610891 1 S S110 1 0.166582 0.166563 0.610096 1 S S111 1 0.249844 0.291585 0.610017 1 S S112 1 0.333246 0.416805 0.610163 1 S S113 1 0.416680 0.541864 0.610123 1 S S114 1 0.500082 0.666720 0.609930 1 S S115 1 0.583333 0.791473 0.610060 1 S S116 1 0.666309 0.916495 0.610478 1 S S117 1 0.250108 0.041899 0.610793 1 S S118 1 0.333136 0.166613 0.610155 1 S S119 1 0.416472 0.291763 0.610108 1 S S120 1 0.499912 0.416982 0.610059 1 S S121 1 0.583333 0.541976 0.609867 1 S S122 1 0.666585 0.666720 0.609930 1 S S123 1 0.749481 0.791488 0.610634 1 S S124 1 0.832073 0.917116 0.611500 1 S S125 1 0.416849 0.041737 0.610571 1 S S126 1 0.499922 0.166625 0.610292 1 S S127 1 0.583333 0.291823 0.610194 1 S S128 1 0.666755 0.416982 0.610059 1 S S129 1 0.749986 0.541864 0.610123 1 S S130 1 0.833164 0.666641 0.610833 1 S S131 1 0.915433 0.792071 0.613166 1 S S132 1 -0.001083 0.917309 0.613189 1 S S133 1 0.583333 0.041502 0.610431 1 S S134 1 0.666745 0.166625 0.610292 1 S S135 1 0.750194 0.291763 0.610108 1 S S136 1 0.833421 0.416805 0.610163 1 S S137 1 0.916407 0.541488 0.610810 1 S S138 1 -0.000178 0.665582 0.613144 1 S S139 1 0.749817 0.041737 0.610571 1 S S140 1 0.833530 0.166613 0.610155 1 S S141 1 0.916822 0.291585 0.610018 1 S S142 1 -0.000062 0.416385 0.610446 1 S S143 1 0.916559 0.041899 0.610793 1 S S144 1 0.000085 0.166563 0.610096 1