# 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 0.749979 0.500000 1 W W2 1 0.086906 0.877904 0.500000 1 W W3 1 0.000000 0.498645 0.500000 1 W W4 1 0.084419 0.620869 0.500000 1 W W5 1 0.171228 0.751261 0.500000 1 W W6 1 0.251217 0.875712 0.500000 1 W W7 1 0.000000 0.249784 0.500000 1 W W8 1 0.083566 0.374227 0.500000 1 W W9 1 0.167030 0.498937 0.500000 1 W W10 1 0.250288 0.624801 0.500000 1 W W11 1 0.334296 0.750256 0.500000 1 W W12 1 0.417198 0.875301 0.500000 1 W W13 1 -0.000000 0.000339 0.500000 1 W W14 1 0.083519 0.125125 0.500000 1 W W15 1 0.166837 0.249826 0.500000 1 W W16 1 0.250374 0.374541 0.500000 1 W W17 1 0.333461 0.499723 0.500000 1 W W18 1 0.416827 0.624939 0.500000 1 W W19 1 0.500000 0.749933 0.500000 1 W W20 1 0.582802 0.875301 0.500000 1 W W21 1 0.167521 0.000806 0.500000 1 W W22 1 0.250343 0.125449 0.500000 1 W W23 1 0.333571 0.250024 0.500000 1 W W24 1 0.416776 0.374923 0.500000 1 W W25 1 0.500000 0.499851 0.500000 1 W W26 1 0.583173 0.624939 0.500000 1 W W27 1 0.665704 0.750256 0.500000 1 W W28 1 0.748783 0.875712 0.500000 1 W W29 1 0.333915 0.000613 0.500000 1 W W30 1 0.416850 0.125286 0.500000 1 W W31 1 0.500000 0.250103 0.500000 1 W W32 1 0.583224 0.374923 0.500000 1 W W33 1 0.666539 0.499723 0.500000 1 W W34 1 0.749712 0.624801 0.500000 1 W W35 1 0.828772 0.751261 0.500000 1 W W36 1 0.913094 0.877904 0.500000 1 W W37 1 0.500000 0.000357 0.500000 1 W W38 1 0.583150 0.125286 0.500000 1 W W39 1 0.666429 0.250024 0.500000 1 W W40 1 0.749626 0.374541 0.500000 1 W W41 1 0.832970 0.498937 0.500000 1 W W42 1 0.915581 0.620869 0.500000 1 W W43 1 0.666085 0.000613 0.500000 1 W W44 1 0.749657 0.125449 0.500000 1 W W45 1 0.833163 0.249826 0.500000 1 W W46 1 0.916434 0.374227 0.500000 1 W W47 1 0.832479 0.000806 0.500000 1 W W48 1 0.916481 0.125125 0.500000 1 S S49 1 0.086991 0.793558 0.390577 1 S S50 1 0.168874 0.918279 0.388226 1 S S51 1 0.083772 0.539184 0.388268 1 S S52 1 0.166346 0.666806 0.390351 1 S S53 1 0.252500 0.792615 0.388218 1 S S54 1 0.334290 0.917324 0.389200 1 S S55 1 0.083436 0.291190 0.389087 1 S S56 1 0.167057 0.415803 0.389166 1 S S57 1 0.250241 0.541391 0.389247 1 S S58 1 0.333589 0.666581 0.389242 1 S S59 1 0.417253 0.791860 0.389104 1 S S60 1 0.500000 0.917066 0.389000 1 S S61 1 0.083462 0.041938 0.389219 1 S S62 1 0.166809 0.166721 0.389112 1 S S63 1 0.250220 0.291391 0.389126 1 S S64 1 0.333520 0.416462 0.389150 1 S S65 1 0.416737 0.541525 0.389258 1 S S66 1 0.500000 0.666550 0.389111 1 S S67 1 0.582747 0.791860 0.389104 1 S S68 1 0.665710 0.917324 0.389200 1 S S69 1 0.250650 0.042379 0.389131 1 S S70 1 0.333625 0.166900 0.389097 1 S S71 1 0.416786 0.291706 0.389144 1 S S72 1 0.500000 0.416596 0.389153 1 S S73 1 0.583263 0.541525 0.389258 1 S S74 1 0.666411 0.666581 0.389242 1 S S75 1 0.747500 0.792615 0.388218 1 S S76 1 0.831126 0.918279 0.388226 1 S S77 1 0.416974 0.042113 0.389040 1 S S78 1 0.500000 0.166905 0.389103 1 S S79 1 0.583214 0.291706 0.389144 1 S S80 1 0.666480 0.416462 0.389150 1 S S81 1 0.749759 0.541391 0.389247 1 S S82 1 0.833654 0.666806 0.390351 1 S S83 1 0.913009 0.793558 0.390577 1 S S84 1 -0.000000 0.916387 0.390347 1 S S85 1 0.583026 0.042113 0.389040 1 S S86 1 0.666375 0.166900 0.389097 1 S S87 1 0.749780 0.291391 0.389126 1 S S88 1 0.832943 0.415803 0.389166 1 S S89 1 0.916228 0.539184 0.388268 1 S S90 1 0.000000 0.662955 0.390598 1 S S91 1 0.749350 0.042379 0.389131 1 S S92 1 0.833191 0.166721 0.389112 1 S S93 1 0.916564 0.291190 0.389087 1 S S94 1 -0.000000 0.415480 0.389267 1 S S95 1 0.916538 0.041938 0.389219 1 S S96 1 0.000000 0.166605 0.389238 1 S S97 1 0.086991 0.793558 0.609423 1 S S98 1 0.168874 0.918279 0.611774 1 S S99 1 0.083772 0.539184 0.611732 1 S S100 1 0.166346 0.666806 0.609649 1 S S101 1 0.252500 0.792615 0.611782 1 S S102 1 0.334290 0.917324 0.610800 1 S S103 1 0.083436 0.291190 0.610913 1 S S104 1 0.167057 0.415803 0.610834 1 S S105 1 0.250241 0.541391 0.610753 1 S S106 1 0.333589 0.666581 0.610758 1 S S107 1 0.417253 0.791860 0.610896 1 S S108 1 0.500000 0.917066 0.611000 1 S S109 1 0.083462 0.041938 0.610781 1 S S110 1 0.166809 0.166721 0.610888 1 S S111 1 0.250220 0.291391 0.610874 1 S S112 1 0.333520 0.416462 0.610850 1 S S113 1 0.416737 0.541525 0.610742 1 S S114 1 0.500000 0.666550 0.610889 1 S S115 1 0.582747 0.791860 0.610896 1 S S116 1 0.665710 0.917324 0.610800 1 S S117 1 0.250650 0.042379 0.610869 1 S S118 1 0.333625 0.166900 0.610903 1 S S119 1 0.416786 0.291706 0.610856 1 S S120 1 0.500000 0.416596 0.610848 1 S S121 1 0.583263 0.541525 0.610742 1 S S122 1 0.666411 0.666581 0.610758 1 S S123 1 0.747500 0.792615 0.611782 1 S S124 1 0.831126 0.918279 0.611774 1 S S125 1 0.416974 0.042113 0.610960 1 S S126 1 0.500000 0.166905 0.610897 1 S S127 1 0.583214 0.291706 0.610856 1 S S128 1 0.666480 0.416462 0.610850 1 S S129 1 0.749759 0.541391 0.610753 1 S S130 1 0.833654 0.666806 0.609649 1 S S131 1 0.913009 0.793558 0.609423 1 S S132 1 0.000000 0.916387 0.609653 1 S S133 1 0.583026 0.042113 0.610960 1 S S134 1 0.666375 0.166900 0.610903 1 S S135 1 0.749780 0.291391 0.610874 1 S S136 1 0.832943 0.415803 0.610834 1 S S137 1 0.916228 0.539184 0.611732 1 S S138 1 -0.000000 0.662955 0.609402 1 S S139 1 0.749350 0.042379 0.610869 1 S S140 1 0.833191 0.166721 0.610888 1 S S141 1 0.916564 0.291190 0.610913 1 S S142 1 0.000000 0.415480 0.610733 1 S S143 1 0.916538 0.041938 0.610781 1 S S144 1 0.000000 0.166605 0.610762 1