# 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 0.083352 0.791434 0.375638 1 W W2 1 0.000372 0.750102 0.503977 1 W W3 1 0.083330 0.874645 0.503870 1 W W4 1 -0.000082 0.499808 0.500269 1 W W5 1 0.083323 0.624575 0.502063 1 W W6 1 0.166291 0.750103 0.503978 1 W W7 1 0.250316 0.875175 0.501917 1 W W8 1 -0.000028 0.249896 0.499347 1 W W9 1 0.083334 0.374879 0.499570 1 W W10 1 0.166746 0.499811 0.500265 1 W W11 1 0.249770 0.625008 0.500731 1 W W12 1 0.333133 0.750144 0.500547 1 W W13 1 0.416800 0.875051 0.500003 1 W W14 1 -0.000061 -0.000211 0.500730 1 W W15 1 0.083333 0.124859 0.499667 1 W W16 1 0.166692 0.249893 0.499348 1 W W17 1 0.250054 0.374896 0.499478 1 W W18 1 0.333308 0.500028 0.499542 1 W W19 1 0.416576 0.625067 0.499429 1 W W20 1 0.499941 0.750057 0.499141 1 W W21 1 0.583335 0.875077 0.499333 1 W W22 1 0.166734 -0.000207 0.500736 1 W W23 1 0.250019 0.124919 0.499568 1 W W24 1 0.333368 0.249980 0.499428 1 W W25 1 0.416688 0.375043 0.499412 1 W W26 1 0.499987 0.500070 0.499159 1 W W27 1 0.583333 0.625084 0.498920 1 W W28 1 0.666727 0.750061 0.499135 1 W W29 1 0.749869 0.875053 0.499992 1 W W30 1 0.333437 0.000121 0.500189 1 W W31 1 0.416734 0.125094 0.499648 1 W W32 1 0.500025 0.250081 0.499616 1 W W33 1 0.583331 0.375082 0.499398 1 W W34 1 0.666681 0.500071 0.499155 1 W W35 1 0.750085 0.625068 0.499426 1 W W36 1 0.833535 0.750145 0.500541 1 W W37 1 0.916354 0.875168 0.501909 1 W W38 1 0.500032 0.000086 0.499703 1 W W39 1 0.583334 0.125106 0.499717 1 W W40 1 0.666641 0.250082 0.499613 1 W W41 1 0.749974 0.375046 0.499416 1 W W42 1 0.833357 0.500028 0.499547 1 W W43 1 0.916889 0.625002 0.500735 1 W W44 1 0.666637 0.000088 0.499690 1 W W45 1 0.749937 0.125096 0.499633 1 W W46 1 0.833297 0.249983 0.499428 1 W W47 1 0.916611 0.374896 0.499479 1 W W48 1 0.833233 0.000122 0.500176 1 W W49 1 0.916649 0.124921 0.499557 1 S S50 1 0.166148 0.914810 0.391298 1 S S51 1 0.083330 0.541754 0.390207 1 S S52 1 0.164982 0.667885 0.391386 1 S S53 1 0.247756 0.792251 0.391266 1 S S54 1 0.333110 0.916635 0.389989 1 S S55 1 0.083333 0.291612 0.388650 1 S S56 1 0.166682 0.416735 0.388989 1 S S57 1 0.249664 0.541991 0.389377 1 S S58 1 0.332695 0.666909 0.389460 1 S S59 1 0.416053 0.791779 0.389067 1 S S60 1 0.499862 0.916769 0.388861 1 S S61 1 0.083336 0.041084 0.389596 1 S S62 1 0.166642 0.166434 0.388750 1 S S63 1 0.250049 0.291596 0.388630 1 S S64 1 0.333299 0.416730 0.388737 1 S S65 1 0.416471 0.541765 0.388611 1 S S66 1 0.499765 0.666739 0.388367 1 S S67 1 0.583332 0.791784 0.388418 1 S S68 1 0.666805 0.916771 0.388852 1 S S69 1 0.249793 0.041232 0.389340 1 S S70 1 0.333355 0.166571 0.388781 1 S S71 1 0.416729 0.291670 0.388754 1 S S72 1 0.499982 0.416660 0.388570 1 S S73 1 0.583334 0.541676 0.388304 1 S S74 1 0.666899 0.666744 0.388368 1 S S75 1 0.750617 0.791779 0.389059 1 S S76 1 0.833568 0.916632 0.389984 1 S S77 1 0.416604 0.041698 0.389070 1 S S78 1 0.500052 0.166740 0.388919 1 S S79 1 0.583333 0.291689 0.388814 1 S S80 1 0.666680 0.416661 0.388571 1 S S81 1 0.750199 0.541767 0.388610 1 S S82 1 0.833966 0.666908 0.389463 1 S S83 1 0.918912 0.792236 0.391261 1 S S84 1 0.000541 0.914799 0.391300 1 S S85 1 0.583332 0.041769 0.388973 1 S S86 1 0.666614 0.166742 0.388914 1 S S87 1 0.749937 0.291675 0.388755 1 S S88 1 0.833364 0.416732 0.388741 1 S S89 1 0.916998 0.541984 0.389380 1 S S90 1 0.001660 0.667867 0.391383 1 S S91 1 0.750067 0.041700 0.389055 1 S S92 1 0.833317 0.166575 0.388773 1 S S93 1 0.916614 0.291599 0.388630 1 S S94 1 -0.000014 0.416733 0.388991 1 S S95 1 0.916881 0.041228 0.389331 1 S S96 1 0.000026 0.166436 0.388749 1 S S97 1 0.083314 0.791629 0.615017 1 S S98 1 0.167357 0.917264 0.613296 1 S S99 1 0.083332 0.540658 0.611731 1 S S100 1 0.166974 0.665764 0.613344 1 S S101 1 0.251017 0.791839 0.613247 1 S S102 1 0.334253 0.917082 0.611550 1 S S103 1 0.083333 0.291478 0.610095 1 S S104 1 0.166783 0.416252 0.610500 1 S S105 1 0.250283 0.541419 0.610835 1 S S106 1 0.333529 0.666610 0.610782 1 S S107 1 0.417047 0.791573 0.610495 1 S S108 1 0.500296 0.916717 0.610417 1 S S109 1 0.083333 0.041773 0.610951 1 S S110 1 0.166686 0.166662 0.610231 1 S S111 1 0.250020 0.291542 0.610147 1 S S112 1 0.333394 0.416627 0.610206 1 S S113 1 0.416800 0.541698 0.610090 1 S S114 1 0.500113 0.666703 0.609821 1 S S115 1 0.583335 0.791629 0.609826 1 S S116 1 0.666382 0.916720 0.610404 1 S S117 1 0.250116 0.041920 0.610820 1 S S118 1 0.333331 0.166730 0.610267 1 S S119 1 0.416641 0.291743 0.610242 1 S S120 1 0.500021 0.416815 0.610067 1 S S121 1 0.583337 0.541815 0.609746 1 S S122 1 0.666554 0.666713 0.609815 1 S S123 1 0.749624 0.791581 0.610484 1 S S124 1 0.832420 0.917083 0.611530 1 S S125 1 0.416895 0.041911 0.610600 1 S S126 1 0.500019 0.166806 0.610456 1 S S127 1 0.583333 0.291827 0.610332 1 S S128 1 0.666640 0.416819 0.610065 1 S S129 1 0.749863 0.541699 0.610089 1 S S130 1 0.833127 0.666610 0.610775 1 S S131 1 0.915647 0.791832 0.613245 1 S S132 1 -0.000675 0.917261 0.613289 1 S S133 1 0.583338 0.041767 0.610461 1 S S134 1 0.666656 0.166804 0.610446 1 S S135 1 0.750022 0.291745 0.610243 1 S S136 1 0.833270 0.416627 0.610209 1 S S137 1 0.916380 0.541413 0.610842 1 S S138 1 -0.000318 0.665749 0.613353 1 S S139 1 0.749777 0.041911 0.610580 1 S S140 1 0.833336 0.166727 0.610261 1 S S141 1 0.916643 0.291545 0.610147 1 S S142 1 -0.000118 0.416247 0.610502 1 S S143 1 0.916559 0.041915 0.610803 1 S S144 1 -0.000022 0.166662 0.610226 1