# 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 0.791710 0.376967 1 W W2 1 0.000284 0.750175 0.503793 1 W W3 1 0.083333 0.874746 0.503821 1 W W4 1 -0.000116 0.500036 0.499934 1 W W5 1 0.083333 0.624749 0.501413 1 W W6 1 0.166383 0.750175 0.503793 1 W W7 1 0.250303 0.875130 0.501446 1 W W8 1 0.000065 0.249895 0.499654 1 W W9 1 0.083333 0.374998 0.499830 1 W W10 1 0.166783 0.500035 0.499934 1 W W11 1 0.249742 0.625186 0.500154 1 W W12 1 0.333101 0.750124 0.500153 1 W W13 1 0.416801 0.874845 0.499860 1 W W14 1 0.000024 -0.000294 0.500154 1 W W15 1 0.083333 0.124716 0.499515 1 W W16 1 0.166602 0.249895 0.499654 1 W W17 1 0.249953 0.375068 0.499743 1 W W18 1 0.333246 0.500195 0.499562 1 W W19 1 0.416498 0.625192 0.499528 1 W W20 1 0.499981 0.749975 0.499385 1 W W21 1 0.583333 0.874857 0.499546 1 W W22 1 0.166643 -0.000294 0.500154 1 W W23 1 0.249899 0.124836 0.499533 1 W W24 1 0.333207 0.249942 0.499749 1 W W25 1 0.416562 0.375177 0.499817 1 W W26 1 0.499960 0.500267 0.499723 1 W W27 1 0.583333 0.625125 0.499494 1 W W28 1 0.666685 0.749975 0.499385 1 W W29 1 0.749866 0.874845 0.499860 1 W W30 1 0.333276 0.000016 0.499934 1 W W31 1 0.416565 0.124896 0.499792 1 W W32 1 0.499974 0.250036 0.499917 1 W W33 1 0.583333 0.375203 0.499941 1 W W34 1 0.666707 0.500267 0.499723 1 W W35 1 0.750169 0.625192 0.499528 1 W W36 1 0.833566 0.750124 0.500153 1 W W37 1 0.916364 0.875129 0.501446 1 W W38 1 0.499995 -0.000158 0.499814 1 W W39 1 0.583333 0.124887 0.499894 1 W W40 1 0.666693 0.250036 0.499917 1 W W41 1 0.750104 0.375177 0.499817 1 W W42 1 0.833421 0.500195 0.499562 1 W W43 1 0.916925 0.625186 0.500154 1 W W44 1 0.666672 -0.000158 0.499814 1 W W45 1 0.750102 0.124896 0.499792 1 W W46 1 0.833459 0.249942 0.499749 1 W W47 1 0.916714 0.375068 0.499742 1 W W48 1 0.833391 0.000016 0.499934 1 W W49 1 0.916767 0.124836 0.499533 1 S S50 1 0.166564 0.915165 0.390365 1 S S51 1 0.083333 0.541781 0.389670 1 S S52 1 0.165249 0.667505 0.390371 1 S S53 1 0.248525 0.792316 0.390414 1 S S54 1 0.333284 0.916552 0.389677 1 S S55 1 0.083333 0.291650 0.389002 1 S S56 1 0.166602 0.416764 0.389044 1 S S57 1 0.249784 0.542027 0.388958 1 S S58 1 0.332939 0.666890 0.388984 1 S S59 1 0.416311 0.791600 0.388900 1 S S60 1 0.499954 0.916548 0.388877 1 S S61 1 0.083333 0.041190 0.388940 1 S S62 1 0.166619 0.166489 0.388769 1 S S63 1 0.249911 0.291662 0.389054 1 S S64 1 0.333219 0.416784 0.388977 1 S S65 1 0.416552 0.541853 0.388793 1 S S66 1 0.499910 0.666709 0.388615 1 S S67 1 0.583333 0.791637 0.388562 1 S S68 1 0.666712 0.916548 0.388877 1 S S69 1 0.249795 0.041279 0.388940 1 S S70 1 0.333294 0.166546 0.388965 1 S S71 1 0.416607 0.291723 0.389267 1 S S72 1 0.499959 0.416855 0.389222 1 S S73 1 0.583333 0.541811 0.388893 1 S S74 1 0.666757 0.666709 0.388615 1 S S75 1 0.750356 0.791600 0.388900 1 S S76 1 0.833382 0.916552 0.389677 1 S S77 1 0.416614 0.041492 0.389038 1 S S78 1 0.499971 0.166601 0.389263 1 S S79 1 0.583333 0.291783 0.389379 1 S S80 1 0.666708 0.416855 0.389222 1 S S81 1 0.750115 0.541853 0.388793 1 S S82 1 0.833728 0.666890 0.388984 1 S S83 1 0.918142 0.792316 0.390414 1 S S84 1 0.000102 0.915165 0.390365 1 S S85 1 0.583333 0.041525 0.389113 1 S S86 1 0.666695 0.166601 0.389263 1 S S87 1 0.750059 0.291723 0.389267 1 S S88 1 0.833447 0.416784 0.388977 1 S S89 1 0.916883 0.542027 0.388958 1 S S90 1 0.001418 0.667505 0.390372 1 S S91 1 0.750053 0.041492 0.389038 1 S S92 1 0.833372 0.166546 0.388965 1 S S93 1 0.916756 0.291662 0.389054 1 S S94 1 0.000064 0.416764 0.389044 1 S S95 1 0.916872 0.041279 0.388940 1 S S96 1 0.000047 0.166489 0.388769 1 S S97 1 0.083333 0.791696 0.615648 1 S S98 1 0.167554 0.917184 0.612705 1 S S99 1 0.083333 0.540886 0.611132 1 S S100 1 0.166728 0.665777 0.612677 1 S S101 1 0.250977 0.792050 0.612686 1 S S102 1 0.334203 0.916983 0.611133 1 S S103 1 0.083333 0.291542 0.610470 1 S S104 1 0.166693 0.416635 0.610616 1 S S105 1 0.250140 0.541741 0.610611 1 S S106 1 0.333272 0.666730 0.610599 1 S S107 1 0.416861 0.791471 0.610532 1 S S108 1 0.500183 0.916476 0.610590 1 S S109 1 0.083333 0.041527 0.610604 1 S S110 1 0.166581 0.166433 0.610297 1 S S111 1 0.249866 0.291632 0.610407 1 S S112 1 0.333201 0.416880 0.610430 1 S S113 1 0.416498 0.541921 0.610367 1 S S114 1 0.499940 0.666749 0.610287 1 S S115 1 0.583333 0.791527 0.610298 1 S S116 1 0.666484 0.916476 0.610590 1 S S117 1 0.249899 0.041703 0.610599 1 S S118 1 0.333152 0.166525 0.610408 1 S S119 1 0.416504 0.291740 0.610424 1 S S120 1 0.499890 0.416951 0.610494 1 S S121 1 0.583333 0.541937 0.610483 1 S S122 1 0.666727 0.666749 0.610287 1 S S123 1 0.749806 0.791471 0.610532 1 S S124 1 0.832464 0.916983 0.611133 1 S S125 1 0.416695 0.041587 0.610628 1 S S126 1 0.499907 0.166573 0.610492 1 S S127 1 0.583333 0.291783 0.610543 1 S S128 1 0.666777 0.416951 0.610494 1 S S129 1 0.750169 0.541921 0.610367 1 S S130 1 0.833395 0.666730 0.610599 1 S S131 1 0.915690 0.792050 0.612686 1 S S132 1 -0.000887 0.917184 0.612705 1 S S133 1 0.583333 0.041489 0.610608 1 S S134 1 0.666759 0.166573 0.610492 1 S S135 1 0.750162 0.291740 0.610424 1 S S136 1 0.833465 0.416880 0.610430 1 S S137 1 0.916527 0.541741 0.610611 1 S S138 1 -0.000061 0.665777 0.612677 1 S S139 1 0.749972 0.041587 0.610628 1 S S140 1 0.833515 0.166525 0.610408 1 S S141 1 0.916800 0.291632 0.610407 1 S S142 1 -0.000027 0.416635 0.610616 1 S S143 1 0.916768 0.041703 0.610599 1 S S144 1 0.000086 0.166433 0.610297 1