# 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 0.791669 0.377846 1 W W2 1 0.000096 0.750099 0.504515 1 W W3 1 0.083333 0.874896 0.504496 1 W W4 1 -0.000150 0.499997 0.500018 1 W W5 1 0.083333 0.624827 0.502042 1 W W6 1 0.166571 0.750099 0.504515 1 W W7 1 0.250257 0.875099 0.501997 1 W W8 1 0.000039 0.249996 0.499330 1 W W9 1 0.083333 0.375033 0.499519 1 W W10 1 0.166817 0.499997 0.500018 1 W W11 1 0.249825 0.625143 0.500552 1 W W12 1 0.333176 0.750085 0.500461 1 W W13 1 0.416831 0.874837 0.499804 1 W W14 1 -0.000002 -0.000209 0.500518 1 W W15 1 0.083333 0.124888 0.499545 1 W W16 1 0.166627 0.249996 0.499330 1 W W17 1 0.250018 0.375039 0.499488 1 W W18 1 0.333328 0.500129 0.499535 1 W W19 1 0.416587 0.625083 0.499475 1 W W20 1 0.499978 0.749925 0.499158 1 W W21 1 0.583333 0.874841 0.499241 1 W W22 1 0.166669 -0.000209 0.500518 1 W W23 1 0.249928 0.124944 0.499479 1 W W24 1 0.333281 0.249988 0.499486 1 W W25 1 0.416631 0.375092 0.499580 1 W W26 1 0.500002 0.500122 0.499370 1 W W27 1 0.583333 0.625027 0.499093 1 W W28 1 0.666689 0.749925 0.499158 1 W W29 1 0.749836 0.874837 0.499804 1 W W30 1 0.333330 0.000074 0.499954 1 W W31 1 0.416624 0.124979 0.499594 1 W W32 1 0.499997 0.250013 0.499730 1 W W33 1 0.583333 0.375088 0.499657 1 W W34 1 0.666664 0.500122 0.499370 1 W W35 1 0.750079 0.625084 0.499474 1 W W36 1 0.833490 0.750085 0.500461 1 W W37 1 0.916410 0.875099 0.501997 1 W W38 1 0.500004 -0.000124 0.499543 1 W W39 1 0.583333 0.124918 0.499681 1 W W40 1 0.666670 0.250013 0.499729 1 W W41 1 0.750036 0.375092 0.499580 1 W W42 1 0.833338 0.500130 0.499535 1 W W43 1 0.916841 0.625143 0.500552 1 W W44 1 0.666663 -0.000124 0.499543 1 W W45 1 0.750043 0.124979 0.499594 1 W W46 1 0.833386 0.249989 0.499486 1 W W47 1 0.916649 0.375039 0.499488 1 W W48 1 0.833336 0.000074 0.499954 1 W W49 1 0.916738 0.124944 0.499480 1 S S50 1 0.166435 0.915120 0.391037 1 S S51 1 0.083333 0.541971 0.390083 1 S S52 1 0.165270 0.667657 0.391078 1 S S53 1 0.248370 0.792262 0.391032 1 S S54 1 0.333077 0.916500 0.389936 1 S S55 1 0.083333 0.291742 0.388661 1 S S56 1 0.166674 0.416847 0.388935 1 S S57 1 0.249795 0.542091 0.389242 1 S S58 1 0.332913 0.666877 0.389328 1 S S59 1 0.416166 0.791585 0.388955 1 S S60 1 0.499890 0.916546 0.388711 1 S S61 1 0.083333 0.041225 0.389379 1 S S62 1 0.166611 0.166531 0.388713 1 S S63 1 0.250002 0.291699 0.388737 1 S S64 1 0.333317 0.416796 0.388839 1 S S65 1 0.416550 0.541793 0.388700 1 S S66 1 0.499833 0.666646 0.388437 1 S S67 1 0.583333 0.791578 0.388357 1 S S68 1 0.666776 0.916546 0.388711 1 S S69 1 0.249737 0.041287 0.389193 1 S S70 1 0.333289 0.166582 0.388817 1 S S71 1 0.416699 0.291693 0.388994 1 S S72 1 0.499995 0.416704 0.388895 1 S S73 1 0.583333 0.541673 0.388506 1 S S74 1 0.666834 0.666646 0.388437 1 S S75 1 0.750501 0.791585 0.388955 1 S S76 1 0.833590 0.916500 0.389936 1 S S77 1 0.416572 0.041565 0.388966 1 S S78 1 0.500008 0.166642 0.389043 1 S S79 1 0.583333 0.291689 0.389094 1 S S80 1 0.666672 0.416704 0.388895 1 S S81 1 0.750117 0.541794 0.388700 1 S S82 1 0.833754 0.666877 0.389328 1 S S83 1 0.918297 0.792262 0.391032 1 S S84 1 0.000232 0.915120 0.391037 1 S S85 1 0.583333 0.041581 0.388912 1 S S86 1 0.666659 0.166642 0.389043 1 S S87 1 0.749968 0.291693 0.388993 1 S S88 1 0.833350 0.416796 0.388840 1 S S89 1 0.916871 0.542091 0.389243 1 S S90 1 0.001397 0.667657 0.391078 1 S S91 1 0.750095 0.041566 0.388966 1 S S92 1 0.833377 0.166582 0.388817 1 S S93 1 0.916665 0.291698 0.388737 1 S S94 1 -0.000007 0.416848 0.388934 1 S S95 1 0.916929 0.041287 0.389193 1 S S96 1 0.000055 0.166530 0.388715 1 S S97 1 0.083333 0.791688 0.616125 1 S S98 1 0.167597 0.917323 0.613307 1 S S99 1 0.083333 0.540752 0.611285 1 S S100 1 0.166895 0.665707 0.613335 1 S S101 1 0.251184 0.792007 0.613309 1 S S102 1 0.334384 0.917058 0.611183 1 S S103 1 0.083333 0.291620 0.610085 1 S S104 1 0.166733 0.416482 0.610382 1 S S105 1 0.250260 0.541548 0.610720 1 S S106 1 0.333550 0.666616 0.610771 1 S S107 1 0.417106 0.791485 0.610492 1 S S108 1 0.500285 0.916516 0.610268 1 S S109 1 0.083333 0.041808 0.610767 1 S S110 1 0.166631 0.166693 0.610134 1 S S111 1 0.249912 0.291643 0.610103 1 S S112 1 0.333308 0.416752 0.610226 1 S S113 1 0.416730 0.541776 0.610171 1 S S114 1 0.500111 0.666676 0.609942 1 S S115 1 0.583333 0.791491 0.609882 1 S S116 1 0.666382 0.916516 0.610268 1 S S117 1 0.250066 0.041907 0.610644 1 S S118 1 0.333237 0.166668 0.610197 1 S S119 1 0.416560 0.291703 0.610250 1 S S120 1 0.499962 0.416847 0.610207 1 S S121 1 0.583333 0.541838 0.609987 1 S S122 1 0.666555 0.666676 0.609942 1 S S123 1 0.749560 0.791485 0.610492 1 S S124 1 0.832283 0.917058 0.611183 1 S S125 1 0.416841 0.041715 0.610394 1 S S126 1 0.499963 0.166610 0.610339 1 S S127 1 0.583334 0.291740 0.610375 1 S S128 1 0.666705 0.416847 0.610207 1 S S129 1 0.749936 0.541776 0.610171 1 S S130 1 0.833117 0.666617 0.610771 1 S S131 1 0.915483 0.792007 0.613309 1 S S132 1 -0.000931 0.917323 0.613307 1 S S133 1 0.583333 0.041510 0.610282 1 S S134 1 0.666704 0.166610 0.610339 1 S S135 1 0.750107 0.291703 0.610249 1 S S136 1 0.833359 0.416751 0.610226 1 S S137 1 0.916406 0.541549 0.610720 1 S S138 1 -0.000228 0.665708 0.613335 1 S S139 1 0.749826 0.041715 0.610394 1 S S140 1 0.833429 0.166668 0.610198 1 S S141 1 0.916755 0.291644 0.610103 1 S S142 1 -0.000067 0.416482 0.610382 1 S S143 1 0.916601 0.041907 0.610644 1 S S144 1 0.000035 0.166693 0.610135 1