# 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 0.791651 0.378607 1 W W2 1 -0.003136 0.748394 0.501171 1 W W3 1 0.083333 0.878225 0.501052 1 W W4 1 -0.000266 0.499953 0.500069 1 W W5 1 0.083333 0.625726 0.500028 1 W W6 1 0.169803 0.748394 0.501171 1 W W7 1 0.249271 0.874652 0.500011 1 W W8 1 -0.000051 0.250311 0.500046 1 W W9 1 0.083333 0.375220 0.500027 1 W W10 1 0.166933 0.499953 0.500069 1 W W11 1 0.250494 0.624464 0.500084 1 W W12 1 0.334071 0.749853 0.500123 1 W W13 1 0.416893 0.874825 0.500072 1 W W14 1 -0.000291 0.000705 0.500075 1 W W15 1 0.083333 0.125593 0.500122 1 W W16 1 0.166718 0.250311 0.500046 1 W W17 1 0.250049 0.375098 0.499996 1 W W18 1 0.333612 0.499805 0.500028 1 W W19 1 0.417090 0.624669 0.500107 1 W W20 1 0.500165 0.749808 0.500021 1 W W21 1 0.583333 0.874931 0.499987 1 W W22 1 0.166958 0.000705 0.500075 1 W W23 1 0.250067 0.125366 0.500043 1 W W24 1 0.333406 0.250162 0.499993 1 W W25 1 0.416790 0.374901 0.500000 1 W W26 1 0.500114 0.499774 0.500051 1 W W27 1 0.583333 0.624763 0.500058 1 W W28 1 0.666502 0.749808 0.500021 1 W W29 1 0.749773 0.874825 0.500072 1 W W30 1 0.333323 0.000254 0.500080 1 W W31 1 0.416701 0.125026 0.500007 1 W W32 1 0.500018 0.249945 0.500005 1 W W33 1 0.583333 0.374867 0.500024 1 W W34 1 0.666552 0.499774 0.500051 1 W W35 1 0.749576 0.624669 0.500107 1 W W36 1 0.832596 0.749853 0.500123 1 W W37 1 0.917395 0.874652 0.500011 1 W W38 1 0.499960 -0.000064 0.500023 1 W W39 1 0.583333 0.124967 0.500016 1 W W40 1 0.666648 0.249945 0.500005 1 W W41 1 0.749876 0.374901 0.500000 1 W W42 1 0.833055 0.499805 0.500028 1 W W43 1 0.916172 0.624464 0.500084 1 W W44 1 0.666707 -0.000064 0.500023 1 W W45 1 0.749965 0.125026 0.500007 1 W W46 1 0.833260 0.250162 0.499993 1 W W47 1 0.916618 0.375098 0.499996 1 W W48 1 0.833344 0.000254 0.500080 1 W W49 1 0.916600 0.125366 0.500043 1 S S50 1 0.167273 0.917507 0.388883 1 S S51 1 0.083333 0.541859 0.389731 1 S S52 1 0.167149 0.665828 0.388912 1 S S53 1 0.251043 0.791696 0.388939 1 S S54 1 0.333172 0.916582 0.389747 1 S S55 1 0.083333 0.291912 0.389264 1 S S56 1 0.166672 0.416748 0.389190 1 S S57 1 0.250324 0.541257 0.389205 1 S S58 1 0.334016 0.666285 0.389449 1 S S59 1 0.417139 0.791614 0.389218 1 S S60 1 0.499992 0.916653 0.389208 1 S S61 1 0.083333 0.042469 0.389459 1 S S62 1 0.166723 0.167074 0.389269 1 S S63 1 0.250066 0.291822 0.389200 1 S S64 1 0.333494 0.416537 0.389192 1 S S65 1 0.416935 0.541403 0.389218 1 S S66 1 0.500196 0.666456 0.389228 1 S S67 1 0.583333 0.791562 0.389214 1 S S68 1 0.666674 0.916653 0.389208 1 S S69 1 0.250295 0.042158 0.389237 1 S S70 1 0.333452 0.166865 0.389225 1 S S71 1 0.416767 0.291644 0.389175 1 S S72 1 0.500085 0.416505 0.389182 1 S S73 1 0.583333 0.541450 0.389216 1 S S74 1 0.666471 0.666456 0.389228 1 S S75 1 0.749528 0.791614 0.389218 1 S S76 1 0.833494 0.916582 0.389747 1 S S77 1 0.416703 0.041667 0.389229 1 S S78 1 0.500036 0.166635 0.389222 1 S S79 1 0.583333 0.291571 0.389215 1 S S80 1 0.666582 0.416505 0.389182 1 S S81 1 0.749732 0.541403 0.389218 1 S S82 1 0.832650 0.666285 0.389449 1 S S83 1 0.915624 0.791696 0.388939 1 S S84 1 -0.000606 0.917507 0.388883 1 S S85 1 0.583333 0.041615 0.389293 1 S S86 1 0.666631 0.166635 0.389222 1 S S87 1 0.749900 0.291644 0.389175 1 S S88 1 0.833173 0.416538 0.389192 1 S S89 1 0.916343 0.541257 0.389205 1 S S90 1 -0.000483 0.665828 0.388912 1 S S91 1 0.749963 0.041667 0.389229 1 S S92 1 0.833215 0.166865 0.389225 1 S S93 1 0.916601 0.291822 0.389200 1 S S94 1 -0.000006 0.416748 0.389190 1 S S95 1 0.916372 0.042158 0.389237 1 S S96 1 -0.000056 0.167074 0.389269 1 S S97 1 0.083333 0.791707 0.605913 1 S S98 1 0.167111 0.917617 0.612104 1 S S99 1 0.083333 0.541916 0.610286 1 S S100 1 0.167346 0.665858 0.612168 1 S S101 1 0.251091 0.791554 0.612148 1 S S102 1 0.333093 0.916547 0.610282 1 S S103 1 0.083333 0.291928 0.610823 1 S S104 1 0.166725 0.416730 0.610866 1 S S105 1 0.250352 0.541320 0.610957 1 S S106 1 0.333796 0.666381 0.610812 1 S S107 1 0.417099 0.791557 0.610988 1 S S108 1 0.500059 0.916625 0.610847 1 S S109 1 0.083333 0.042216 0.610768 1 S S110 1 0.166747 0.167072 0.610914 1 S S111 1 0.250089 0.291846 0.610827 1 S S112 1 0.333487 0.416527 0.610808 1 S S113 1 0.416915 0.541393 0.610941 1 S S114 1 0.500200 0.666477 0.610934 1 S S115 1 0.583333 0.791599 0.610803 1 S S116 1 0.666608 0.916625 0.610847 1 S S117 1 0.250200 0.042143 0.610939 1 S S118 1 0.333466 0.166873 0.610787 1 S S119 1 0.416764 0.291648 0.610835 1 S S120 1 0.500074 0.416485 0.610867 1 S S121 1 0.583333 0.541437 0.610898 1 S S122 1 0.666467 0.666477 0.610934 1 S S123 1 0.749568 0.791557 0.610988 1 S S124 1 0.833573 0.916547 0.610282 1 S S125 1 0.416704 0.041708 0.610845 1 S S126 1 0.500024 0.166637 0.610805 1 S S127 1 0.583333 0.291561 0.610821 1 S S128 1 0.666592 0.416485 0.610867 1 S S129 1 0.749752 0.541393 0.610941 1 S S130 1 0.832870 0.666381 0.610812 1 S S131 1 0.915575 0.791554 0.612149 1 S S132 1 -0.000444 0.917617 0.612104 1 S S133 1 0.583333 0.041620 0.610752 1 S S134 1 0.666643 0.166637 0.610805 1 S S135 1 0.749903 0.291648 0.610835 1 S S136 1 0.833179 0.416527 0.610808 1 S S137 1 0.916315 0.541320 0.610957 1 S S138 1 -0.000680 0.665858 0.612168 1 S S139 1 0.749963 0.041708 0.610845 1 S S140 1 0.833201 0.166873 0.610787 1 S S141 1 0.916578 0.291846 0.610827 1 S S142 1 -0.000059 0.416730 0.610866 1 S S143 1 0.916466 0.042143 0.610939 1 S S144 1 -0.000080 0.167072 0.610914 1