# 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 -0.000001 0.736500 0.500002 1 W W2 1 0.083944 0.879736 0.500007 1 W W3 1 -0.000000 0.497946 0.500007 1 W W4 1 0.082919 0.624061 0.500005 1 W W5 1 0.167284 0.749496 0.500004 1 W W6 1 0.248904 0.875791 0.500008 1 W W7 1 -0.000000 0.249572 0.500001 1 W W8 1 0.083541 0.374286 0.500002 1 W W9 1 0.166876 0.499231 0.500002 1 W W10 1 0.249122 0.625317 0.500003 1 W W11 1 0.332196 0.751019 0.500008 1 W W12 1 0.416710 0.875494 0.500010 1 W W13 1 -0.000000 0.001405 0.500006 1 W W14 1 0.083498 0.125607 0.500005 1 W W15 1 0.166836 0.249608 0.500003 1 W W16 1 0.250367 0.375045 0.499998 1 W W17 1 0.333402 0.499862 0.499998 1 W W18 1 0.416131 0.625605 0.500005 1 W W19 1 0.500001 0.750551 0.500013 1 W W20 1 0.583290 0.875495 0.500010 1 W W21 1 0.167211 -0.000284 0.500008 1 W W22 1 0.250394 0.125320 0.500005 1 W W23 1 0.333407 0.249945 0.499996 1 W W24 1 0.416604 0.375578 0.499994 1 W W25 1 0.500000 0.500499 0.499998 1 W W26 1 0.583870 0.625606 0.500009 1 W W27 1 0.667806 0.751019 0.500014 1 W W28 1 0.751097 0.875792 0.500008 1 W W29 1 0.333539 0.000212 0.500006 1 W W30 1 0.416580 0.125256 0.499998 1 W W31 1 0.500000 0.250197 0.499989 1 W W32 1 0.583396 0.375578 0.499993 1 W W33 1 0.666598 0.499862 0.500003 1 W W34 1 0.750878 0.625317 0.500012 1 W W35 1 0.832717 0.749496 0.500009 1 W W36 1 0.916056 0.879736 0.500007 1 W W37 1 0.500000 0.000136 0.500002 1 W W38 1 0.583420 0.125257 0.499990 1 W W39 1 0.666593 0.249945 0.499988 1 W W40 1 0.749633 0.375046 0.499995 1 W W41 1 0.833124 0.499231 0.500007 1 W W42 1 0.917081 0.624061 0.500009 1 W W43 1 0.666461 0.000212 0.499999 1 W W44 1 0.749606 0.125320 0.499993 1 W W45 1 0.833164 0.249608 0.499996 1 W W46 1 0.916459 0.374286 0.500001 1 W W47 1 0.832788 -0.000285 0.500001 1 W W48 1 0.916502 0.125607 0.499999 1 S S49 1 0.077718 0.791097 0.395903 1 S S50 1 0.167096 0.917314 0.387444 1 S S51 1 0.083331 0.540387 0.390017 1 S S52 1 0.166026 0.666808 0.389432 1 S S53 1 0.248759 0.792411 0.389118 1 S S54 1 0.333125 0.916825 0.389819 1 S S55 1 0.083438 0.291152 0.389507 1 S S56 1 0.166806 0.416109 0.389532 1 S S57 1 0.249947 0.541808 0.389701 1 S S58 1 0.332678 0.667331 0.389974 1 S S59 1 0.416244 0.792071 0.389758 1 S S60 1 0.500000 0.916927 0.389487 1 S S61 1 0.083808 0.042432 0.389561 1 S S62 1 0.167001 0.166597 0.389436 1 S S63 1 0.250094 0.291662 0.389701 1 S S64 1 0.333373 0.416815 0.389405 1 S S65 1 0.416524 0.542221 0.389762 1 S S66 1 0.500000 0.667152 0.389970 1 S S67 1 0.583757 0.792071 0.389756 1 S S68 1 0.666875 0.916825 0.389819 1 S S69 1 0.250236 0.041933 0.389663 1 S S70 1 0.333556 0.166843 0.389382 1 S S71 1 0.416697 0.292019 0.389767 1 S S72 1 0.500000 0.417151 0.389659 1 S S73 1 0.583476 0.542219 0.389760 1 S S74 1 0.667323 0.667332 0.389970 1 S S75 1 0.751242 0.792412 0.389117 1 S S76 1 0.832904 0.917315 0.387444 1 S S77 1 0.416771 0.041911 0.389542 1 S S78 1 0.500000 0.166886 0.389660 1 S S79 1 0.583302 0.292018 0.389766 1 S S80 1 0.666627 0.416815 0.389404 1 S S81 1 0.750053 0.541807 0.389697 1 S S82 1 0.833975 0.666809 0.389429 1 S S83 1 0.922282 0.791097 0.395902 1 S S84 1 -0.000000 0.918840 0.389657 1 S S85 1 0.583229 0.041911 0.389543 1 S S86 1 0.666445 0.166843 0.389385 1 S S87 1 0.749907 0.291663 0.389702 1 S S88 1 0.833194 0.416108 0.389531 1 S S89 1 0.916670 0.540387 0.390016 1 S S90 1 0.000000 0.660169 0.383736 1 S S91 1 0.749763 0.041933 0.389664 1 S S92 1 0.832999 0.166597 0.389439 1 S S93 1 0.916561 0.291152 0.389509 1 S S94 1 -0.000000 0.415213 0.389227 1 S S95 1 0.916191 0.042432 0.389563 1 S S96 1 -0.000001 0.166596 0.389375 1 S S97 1 0.077718 0.791097 0.604100 1 S S98 1 0.167097 0.917315 0.612553 1 S S99 1 0.083330 0.540386 0.609979 1 S S100 1 0.166027 0.666807 0.610567 1 S S101 1 0.248759 0.792412 0.610878 1 S S102 1 0.333125 0.916826 0.610174 1 S S103 1 0.083437 0.291153 0.610488 1 S S104 1 0.166805 0.416108 0.610465 1 S S105 1 0.249947 0.541807 0.610298 1 S S106 1 0.332678 0.667331 0.610025 1 S S107 1 0.416244 0.792072 0.610235 1 S S108 1 0.500000 0.916927 0.610505 1 S S109 1 0.083808 0.042432 0.610439 1 S S110 1 0.167003 0.166598 0.610563 1 S S111 1 0.250094 0.291662 0.610297 1 S S112 1 0.333372 0.416815 0.610595 1 S S113 1 0.416524 0.542220 0.610237 1 S S114 1 0.500001 0.667152 0.610024 1 S S115 1 0.583757 0.792072 0.610234 1 S S116 1 0.666875 0.916826 0.610174 1 S S117 1 0.250239 0.041933 0.610335 1 S S118 1 0.333556 0.166843 0.610613 1 S S119 1 0.416698 0.292017 0.610232 1 S S120 1 0.500000 0.417149 0.610342 1 S S121 1 0.583477 0.542220 0.610235 1 S S122 1 0.667322 0.667330 0.610021 1 S S123 1 0.751240 0.792413 0.610876 1 S S124 1 0.832903 0.917315 0.612555 1 S S125 1 0.416771 0.041911 0.610453 1 S S126 1 0.499999 0.166885 0.610339 1 S S127 1 0.583302 0.292018 0.610232 1 S S128 1 0.666628 0.416816 0.610594 1 S S129 1 0.750053 0.541808 0.610294 1 S S130 1 0.833973 0.666807 0.610567 1 S S131 1 0.922281 0.791097 0.604100 1 S S132 1 0.000000 0.918840 0.610343 1 S S133 1 0.583228 0.041912 0.610454 1 S S134 1 0.666442 0.166844 0.610615 1 S S135 1 0.749905 0.291663 0.610299 1 S S136 1 0.833195 0.416108 0.610465 1 S S137 1 0.916669 0.540386 0.609977 1 S S138 1 -0.000000 0.660168 0.616262 1 S S139 1 0.749762 0.041933 0.610335 1 S S140 1 0.832997 0.166598 0.610565 1 S S141 1 0.916563 0.291153 0.610490 1 S S142 1 0.000000 0.415213 0.610767 1 S S143 1 0.916192 0.042432 0.610441 1 S S144 1 -0.000001 0.166598 0.610626 1