# generated using pymatgen data_GaW48S95 _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 GaW48S95 _chemical_formula_sum 'Ga1 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 Ga Ga1 1 0.083333 0.791880 0.298117 1 W W2 1 0.003228 0.751600 0.508654 1 W W3 1 0.083333 0.871640 0.508657 1 W W4 1 0.000119 0.500854 0.500837 1 W W5 1 0.083333 0.626975 0.504293 1 W W6 1 0.163439 0.751601 0.508654 1 W W7 1 0.248129 0.873942 0.504115 1 W W8 1 0.000098 0.249963 0.499378 1 W W9 1 0.083333 0.375399 0.499919 1 W W10 1 0.166547 0.500854 0.500838 1 W W11 1 0.249349 0.626051 0.501049 1 W W12 1 0.332124 0.750021 0.500848 1 W W13 1 0.415987 0.874602 0.500581 1 W W14 1 0.000637 -0.001106 0.501022 1 W W15 1 0.083333 0.124496 0.499530 1 W W16 1 0.166569 0.249963 0.499378 1 W W17 1 0.249823 0.375335 0.499606 1 W W18 1 0.332978 0.500650 0.499536 1 W W19 1 0.416303 0.625353 0.499285 1 W W20 1 0.499628 0.750030 0.499248 1 W W21 1 0.583333 0.874758 0.499705 1 W W22 1 0.166030 -0.001106 0.501022 1 W W23 1 0.249603 0.124437 0.499628 1 W W24 1 0.333080 0.249897 0.499422 1 W W25 1 0.416484 0.375265 0.499304 1 W W26 1 0.499895 0.500313 0.499027 1 W W27 1 0.583333 0.625279 0.498839 1 W W28 1 0.667039 0.750029 0.499249 1 W W29 1 0.750680 0.874602 0.500581 1 W W30 1 0.332637 -0.000624 0.500745 1 W W31 1 0.416386 0.124673 0.499789 1 W W32 1 0.499883 0.249937 0.499503 1 W W33 1 0.583333 0.375188 0.499228 1 W W34 1 0.666771 0.500313 0.499027 1 W W35 1 0.750364 0.625353 0.499285 1 W W36 1 0.834543 0.750021 0.500849 1 W W37 1 0.918537 0.873942 0.504115 1 W W38 1 0.499746 -0.000385 0.500141 1 W W39 1 0.583333 0.124692 0.499829 1 W W40 1 0.666783 0.249937 0.499503 1 W W41 1 0.750182 0.375265 0.499304 1 W W42 1 0.833688 0.500650 0.499535 1 W W43 1 0.917317 0.626052 0.501049 1 W W44 1 0.666921 -0.000386 0.500141 1 W W45 1 0.750280 0.124672 0.499790 1 W W46 1 0.833587 0.249897 0.499422 1 W W47 1 0.916843 0.375335 0.499606 1 W W48 1 0.834031 -0.000624 0.500744 1 W W49 1 0.917064 0.124437 0.499628 1 S S50 1 0.164138 0.912480 0.393631 1 S S51 1 0.083333 0.543926 0.391602 1 S S52 1 0.163837 0.670600 0.393685 1 S S53 1 0.244689 0.791733 0.393567 1 S S54 1 0.331214 0.915473 0.391358 1 S S55 1 0.083333 0.291978 0.388937 1 S S56 1 0.166424 0.417650 0.389567 1 S S57 1 0.249073 0.542961 0.389739 1 S S58 1 0.332225 0.667245 0.389504 1 S S59 1 0.415215 0.791707 0.389455 1 S S60 1 0.499340 0.916276 0.389552 1 S S61 1 0.083333 0.040481 0.389671 1 S S62 1 0.166562 0.166275 0.388852 1 S S63 1 0.249813 0.291858 0.388895 1 S S64 1 0.332973 0.417184 0.388930 1 S S65 1 0.416201 0.542078 0.388592 1 S S66 1 0.499626 0.666946 0.388346 1 S S67 1 0.583333 0.791723 0.388691 1 S S68 1 0.667326 0.916276 0.389552 1 S S69 1 0.249247 0.040327 0.389750 1 S S70 1 0.333012 0.166205 0.389066 1 S S71 1 0.416482 0.291668 0.388965 1 S S72 1 0.499873 0.416839 0.388624 1 S S73 1 0.583333 0.541905 0.388317 1 S S74 1 0.667041 0.666946 0.388346 1 S S75 1 0.751451 0.791707 0.389455 1 S S76 1 0.835453 0.915473 0.391358 1 S S77 1 0.416002 0.040931 0.389698 1 S S78 1 0.499859 0.166300 0.389227 1 S S79 1 0.583333 0.291596 0.388942 1 S S80 1 0.666793 0.416839 0.388624 1 S S81 1 0.750465 0.542079 0.388592 1 S S82 1 0.834441 0.667247 0.389506 1 S S83 1 0.921978 0.791733 0.393567 1 S S84 1 0.002529 0.912480 0.393631 1 S S85 1 0.583333 0.041163 0.389475 1 S S86 1 0.666808 0.166300 0.389227 1 S S87 1 0.750185 0.291668 0.388965 1 S S88 1 0.833694 0.417184 0.388930 1 S S89 1 0.917594 0.542961 0.389740 1 S S90 1 0.002830 0.670600 0.393685 1 S S91 1 0.750664 0.040930 0.389698 1 S S92 1 0.833655 0.166205 0.389066 1 S S93 1 0.916854 0.291858 0.388895 1 S S94 1 0.000243 0.417650 0.389567 1 S S95 1 0.917420 0.040326 0.389750 1 S S96 1 0.000104 0.166275 0.388852 1 S S97 1 0.083333 0.791584 0.622395 1 S S98 1 0.165704 0.916847 0.615528 1 S S99 1 0.083333 0.541851 0.612399 1 S S100 1 0.167530 0.667293 0.615619 1 S S101 1 0.249925 0.790664 0.615469 1 S S102 1 0.333308 0.916426 0.612210 1 S S103 1 0.083333 0.291681 0.610093 1 S S104 1 0.166707 0.416900 0.610688 1 S S105 1 0.250212 0.542260 0.611120 1 S S106 1 0.333434 0.666759 0.611016 1 S S107 1 0.416468 0.791199 0.610823 1 S S108 1 0.499966 0.916238 0.610690 1 S S109 1 0.083334 0.041517 0.611108 1 S S110 1 0.166486 0.166494 0.610049 1 S S111 1 0.249833 0.291741 0.610001 1 S S112 1 0.333255 0.417083 0.609967 1 S S113 1 0.416653 0.542045 0.609867 1 S S114 1 0.499982 0.666749 0.609730 1 S S115 1 0.583333 0.791356 0.609935 1 S S116 1 0.666701 0.916238 0.610690 1 S S117 1 0.249413 0.041417 0.611052 1 S S118 1 0.332943 0.166469 0.610088 1 S S119 1 0.416466 0.291787 0.609867 1 S S120 1 0.499947 0.416993 0.609718 1 S S121 1 0.583333 0.541999 0.609552 1 S S122 1 0.666685 0.666749 0.609730 1 S S123 1 0.750199 0.791199 0.610824 1 S S124 1 0.833359 0.916426 0.612210 1 S S125 1 0.416406 0.041430 0.610737 1 S S126 1 0.499834 0.166557 0.610197 1 S S127 1 0.583333 0.291797 0.609861 1 S S128 1 0.666720 0.416993 0.609718 1 S S129 1 0.750014 0.542045 0.609866 1 S S130 1 0.833233 0.666759 0.611017 1 S S131 1 0.916742 0.790664 0.615469 1 S S132 1 0.000963 0.916847 0.615528 1 S S133 1 0.583333 0.041375 0.610583 1 S S134 1 0.666833 0.166557 0.610197 1 S S135 1 0.750200 0.291787 0.609867 1 S S136 1 0.833411 0.417083 0.609967 1 S S137 1 0.916453 0.542260 0.611119 1 S S138 1 -0.000863 0.667294 0.615619 1 S S139 1 0.750261 0.041429 0.610736 1 S S140 1 0.833724 0.166469 0.610088 1 S S141 1 0.916833 0.291741 0.610001 1 S S142 1 -0.000041 0.416901 0.610687 1 S S143 1 0.917254 0.041417 0.611052 1 S S144 1 0.000181 0.166494 0.610048 1