# generated using pymatgen data_GaW47S96 _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 GaW47S96 _chemical_formula_sum 'Ga1 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 Ga Ga1 1 -0.000000 0.750739 0.500000 1 W W2 1 0.084420 0.878231 0.500000 1 W W3 1 -0.000000 0.498010 0.499999 1 W W4 1 0.084228 0.620116 0.500000 1 W W5 1 0.170703 0.752011 0.500000 1 W W6 1 0.251163 0.875817 0.500000 1 W W7 1 -0.000000 0.249414 0.500000 1 W W8 1 0.083583 0.373827 0.500000 1 W W9 1 0.166921 0.498588 0.499999 1 W W10 1 0.250029 0.625018 0.500000 1 W W11 1 0.334224 0.750508 0.500000 1 W W12 1 0.417131 0.875659 0.500000 1 W W13 1 0.000000 0.000492 0.500001 1 W W14 1 0.083585 0.125036 0.500001 1 W W15 1 0.166967 0.249609 0.500000 1 W W16 1 0.250365 0.374409 0.499999 1 W W17 1 0.333334 0.499836 0.500000 1 W W18 1 0.416701 0.625160 0.500000 1 W W19 1 0.500000 0.750285 0.500001 1 W W20 1 0.582869 0.875659 0.500001 1 W W21 1 0.167756 0.000623 0.500000 1 W W22 1 0.250484 0.125262 0.500000 1 W W23 1 0.333595 0.250032 0.499999 1 W W24 1 0.416734 0.375071 0.499999 1 W W25 1 0.500000 0.500061 0.500000 1 W W26 1 0.583299 0.625160 0.500000 1 W W27 1 0.665776 0.750508 0.500000 1 W W28 1 0.748837 0.875817 0.500001 1 W W29 1 0.333888 0.000765 0.500000 1 W W30 1 0.416907 0.125472 0.500000 1 W W31 1 0.500000 0.250311 0.500000 1 W W32 1 0.583266 0.375072 0.500000 1 W W33 1 0.666666 0.499836 0.500000 1 W W34 1 0.749972 0.625018 0.500000 1 W W35 1 0.829297 0.752011 0.500000 1 W W36 1 0.915581 0.878231 0.500001 1 W W37 1 0.500000 0.000619 0.500000 1 W W38 1 0.583093 0.125472 0.500000 1 W W39 1 0.666405 0.250032 0.500000 1 W W40 1 0.749635 0.374409 0.500000 1 W W41 1 0.833079 0.498588 0.500000 1 W W42 1 0.915772 0.620116 0.500000 1 W W43 1 0.666112 0.000765 0.500001 1 W W44 1 0.749516 0.125262 0.500001 1 W W45 1 0.833033 0.249609 0.500001 1 W W46 1 0.916417 0.373827 0.500000 1 W W47 1 0.832244 0.000623 0.500001 1 W W48 1 0.916415 0.125036 0.500001 1 S S49 1 0.086527 0.793097 0.390788 1 S S50 1 0.167962 0.917905 0.388729 1 S S51 1 0.083698 0.538614 0.388171 1 S S52 1 0.165718 0.666980 0.390759 1 S S53 1 0.252397 0.792835 0.388271 1 S S54 1 0.334122 0.917528 0.389183 1 S S55 1 0.083480 0.290826 0.389151 1 S S56 1 0.167018 0.415506 0.389161 1 S S57 1 0.250012 0.541505 0.389383 1 S S58 1 0.333367 0.666802 0.389301 1 S S59 1 0.417198 0.792184 0.389186 1 S S60 1 0.500000 0.917368 0.389047 1 S S61 1 0.083694 0.041918 0.389321 1 S S62 1 0.166962 0.166512 0.389171 1 S S63 1 0.250256 0.291299 0.389133 1 S S64 1 0.333417 0.416568 0.389209 1 S S65 1 0.416635 0.541720 0.389365 1 S S66 1 0.500000 0.666810 0.389269 1 S S67 1 0.582802 0.792184 0.389186 1 S S68 1 0.665878 0.917528 0.389182 1 S S69 1 0.250631 0.042222 0.389011 1 S S70 1 0.333641 0.166907 0.389118 1 S S71 1 0.416741 0.291854 0.389167 1 S S72 1 0.500000 0.416781 0.389238 1 S S73 1 0.583365 0.541720 0.389365 1 S S74 1 0.666633 0.666802 0.389301 1 S S75 1 0.747603 0.792835 0.388271 1 S S76 1 0.832038 0.917905 0.388729 1 S S77 1 0.416958 0.042309 0.389084 1 S S78 1 0.500000 0.167143 0.389105 1 S S79 1 0.583259 0.291854 0.389166 1 S S80 1 0.666583 0.416568 0.389208 1 S S81 1 0.749988 0.541505 0.389383 1 S S82 1 0.834282 0.666980 0.390759 1 S S83 1 0.913473 0.793097 0.390787 1 S S84 1 0.000000 0.917518 0.389219 1 S S85 1 0.583042 0.042309 0.389084 1 S S86 1 0.666359 0.166907 0.389118 1 S S87 1 0.749744 0.291299 0.389133 1 S S88 1 0.832982 0.415506 0.389161 1 S S89 1 0.916302 0.538614 0.388171 1 S S90 1 -0.000000 0.661928 0.390674 1 S S91 1 0.749369 0.042222 0.389011 1 S S92 1 0.833038 0.166512 0.389171 1 S S93 1 0.916520 0.290826 0.389151 1 S S94 1 0.000000 0.414969 0.389216 1 S S95 1 0.916306 0.041918 0.389321 1 S S96 1 0.000000 0.166302 0.389225 1 S S97 1 0.086527 0.793097 0.609212 1 S S98 1 0.167962 0.917905 0.611271 1 S S99 1 0.083698 0.538614 0.611830 1 S S100 1 0.165718 0.666980 0.609241 1 S S101 1 0.252397 0.792835 0.611729 1 S S102 1 0.334122 0.917528 0.610817 1 S S103 1 0.083480 0.290826 0.610849 1 S S104 1 0.167018 0.415506 0.610840 1 S S105 1 0.250012 0.541505 0.610618 1 S S106 1 0.333367 0.666802 0.610699 1 S S107 1 0.417198 0.792184 0.610814 1 S S108 1 0.500000 0.917368 0.610952 1 S S109 1 0.083694 0.041918 0.610678 1 S S110 1 0.166962 0.166512 0.610829 1 S S111 1 0.250256 0.291299 0.610867 1 S S112 1 0.333417 0.416568 0.610792 1 S S113 1 0.416635 0.541720 0.610635 1 S S114 1 0.500000 0.666810 0.610730 1 S S115 1 0.582802 0.792184 0.610813 1 S S116 1 0.665878 0.917528 0.610817 1 S S117 1 0.250631 0.042222 0.610989 1 S S118 1 0.333641 0.166907 0.610882 1 S S119 1 0.416741 0.291854 0.610834 1 S S120 1 0.500000 0.416781 0.610762 1 S S121 1 0.583365 0.541720 0.610635 1 S S122 1 0.666633 0.666802 0.610699 1 S S123 1 0.747603 0.792835 0.611728 1 S S124 1 0.832038 0.917905 0.611270 1 S S125 1 0.416958 0.042309 0.610916 1 S S126 1 0.500000 0.167143 0.610895 1 S S127 1 0.583259 0.291854 0.610834 1 S S128 1 0.666583 0.416568 0.610792 1 S S129 1 0.749988 0.541505 0.610617 1 S S130 1 0.834282 0.666980 0.609241 1 S S131 1 0.913473 0.793097 0.609212 1 S S132 1 0.000000 0.917518 0.610781 1 S S133 1 0.583042 0.042309 0.610915 1 S S134 1 0.666359 0.166907 0.610882 1 S S135 1 0.749744 0.291299 0.610867 1 S S136 1 0.832982 0.415506 0.610839 1 S S137 1 0.916301 0.538614 0.611830 1 S S138 1 -0.000000 0.661928 0.609326 1 S S139 1 0.749369 0.042222 0.610988 1 S S140 1 0.833038 0.166512 0.610828 1 S S141 1 0.916520 0.290826 0.610849 1 S S142 1 -0.000000 0.414969 0.610785 1 S S143 1 0.916306 0.041918 0.610678 1 S S144 1 -0.000000 0.166302 0.610774 1