# generated using pymatgen data_InW47S96 _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 InW47S96 _chemical_formula_sum 'In1 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 In In1 1 -0.000001 0.750019 0.500000 1 W W2 1 0.087304 0.878347 0.500000 1 W W3 1 0.000001 0.497235 0.500000 1 W W4 1 0.084435 0.620192 0.500000 1 W W5 1 0.171647 0.751484 0.500000 1 W W6 1 0.252320 0.876415 0.500000 1 W W7 1 0.000000 0.249358 0.500000 1 W W8 1 0.083563 0.373633 0.500000 1 W W9 1 0.167432 0.498098 0.500000 1 W W10 1 0.250299 0.624715 0.500000 1 W W11 1 0.335045 0.750346 0.500000 1 W W12 1 0.417379 0.875696 0.500000 1 W W13 1 -0.000000 0.000411 0.500000 1 W W14 1 0.083576 0.125034 0.500000 1 W W15 1 0.166991 0.249570 0.500000 1 W W16 1 0.250484 0.374199 0.500000 1 W W17 1 0.333518 0.499667 0.500000 1 W W18 1 0.416839 0.624964 0.500000 1 W W19 1 0.500000 0.750207 0.500000 1 W W20 1 0.582621 0.875696 0.500000 1 W W21 1 0.168056 0.001460 0.500000 1 W W22 1 0.250682 0.125606 0.500000 1 W W23 1 0.333717 0.250057 0.500000 1 W W24 1 0.416813 0.374968 0.500000 1 W W25 1 0.500000 0.499900 0.500000 1 W W26 1 0.583161 0.624964 0.500000 1 W W27 1 0.664955 0.750346 0.500000 1 W W28 1 0.747680 0.876415 0.500000 1 W W29 1 0.334272 0.000957 0.500000 1 W W30 1 0.416962 0.125571 0.500000 1 W W31 1 0.500000 0.250295 0.500000 1 W W32 1 0.583187 0.374968 0.500000 1 W W33 1 0.666482 0.499667 0.500000 1 W W34 1 0.749700 0.624715 0.500000 1 W W35 1 0.828353 0.751486 0.500000 1 W W36 1 0.912694 0.878347 0.500000 1 W W37 1 0.500000 0.000760 0.500000 1 W W38 1 0.583038 0.125571 0.500000 1 W W39 1 0.666284 0.250057 0.500000 1 W W40 1 0.749516 0.374199 0.500000 1 W W41 1 0.832567 0.498098 0.500000 1 W W42 1 0.915567 0.620194 0.500000 1 W W43 1 0.665728 0.000958 0.500000 1 W W44 1 0.749318 0.125606 0.500000 1 W W45 1 0.833010 0.249570 0.500000 1 W W46 1 0.916437 0.373633 0.500000 1 W W47 1 0.831943 0.001461 0.500000 1 W W48 1 0.916424 0.125034 0.500000 1 S S49 1 0.092315 0.796354 0.386908 1 S S50 1 0.169605 0.919140 0.388718 1 S S51 1 0.084198 0.538002 0.388812 1 S S52 1 0.166352 0.666761 0.390581 1 S S53 1 0.253572 0.792839 0.388789 1 S S54 1 0.334844 0.917820 0.388900 1 S S55 1 0.083495 0.290713 0.389106 1 S S56 1 0.167149 0.415177 0.389095 1 S S57 1 0.250300 0.541244 0.389267 1 S S58 1 0.333617 0.666549 0.389254 1 S S59 1 0.417548 0.792174 0.388994 1 S S60 1 0.500000 0.917479 0.388992 1 S S61 1 0.083520 0.041965 0.389194 1 S S62 1 0.166963 0.166558 0.389130 1 S S63 1 0.250334 0.291193 0.389085 1 S S64 1 0.333531 0.416403 0.389191 1 S S65 1 0.416745 0.541556 0.389291 1 S S66 1 0.500000 0.666680 0.389218 1 S S67 1 0.582452 0.792175 0.388994 1 S S68 1 0.665156 0.917820 0.388900 1 S S69 1 0.251073 0.042727 0.388993 1 S S70 1 0.333812 0.167074 0.389010 1 S S71 1 0.416822 0.291831 0.389102 1 S S72 1 0.500000 0.416676 0.389173 1 S S73 1 0.583256 0.541556 0.389292 1 S S74 1 0.666384 0.666550 0.389254 1 S S75 1 0.746428 0.792840 0.388789 1 S S76 1 0.830395 0.919141 0.388718 1 S S77 1 0.417123 0.042482 0.388963 1 S S78 1 0.500000 0.167194 0.389052 1 S S79 1 0.583178 0.291831 0.389102 1 S S80 1 0.666469 0.416403 0.389191 1 S S81 1 0.749700 0.541245 0.389267 1 S S82 1 0.833648 0.666761 0.390579 1 S S83 1 0.907681 0.796357 0.386908 1 S S84 1 -0.000000 0.916558 0.390513 1 S S85 1 0.582876 0.042482 0.388963 1 S S86 1 0.666188 0.167074 0.389010 1 S S87 1 0.749666 0.291193 0.389085 1 S S88 1 0.832851 0.415177 0.389095 1 S S89 1 0.915802 0.538002 0.388812 1 S S90 1 0.000001 0.657296 0.387008 1 S S91 1 0.748926 0.042727 0.388993 1 S S92 1 0.833037 0.166558 0.389131 1 S S93 1 0.916505 0.290713 0.389106 1 S S94 1 0.000000 0.414598 0.388970 1 S S95 1 0.916480 0.041965 0.389193 1 S S96 1 0.000000 0.166330 0.389192 1 S S97 1 0.092315 0.796354 0.613092 1 S S98 1 0.169605 0.919140 0.611282 1 S S99 1 0.084198 0.538002 0.611188 1 S S100 1 0.166352 0.666761 0.609419 1 S S101 1 0.253572 0.792839 0.611211 1 S S102 1 0.334844 0.917820 0.611100 1 S S103 1 0.083495 0.290713 0.610894 1 S S104 1 0.167149 0.415177 0.610905 1 S S105 1 0.250300 0.541244 0.610733 1 S S106 1 0.333617 0.666549 0.610746 1 S S107 1 0.417548 0.792174 0.611006 1 S S108 1 0.500000 0.917479 0.611008 1 S S109 1 0.083520 0.041965 0.610806 1 S S110 1 0.166963 0.166558 0.610869 1 S S111 1 0.250334 0.291193 0.610915 1 S S112 1 0.333531 0.416403 0.610809 1 S S113 1 0.416745 0.541556 0.610709 1 S S114 1 0.500000 0.666680 0.610782 1 S S115 1 0.582452 0.792175 0.611006 1 S S116 1 0.665156 0.917820 0.611100 1 S S117 1 0.251073 0.042727 0.611007 1 S S118 1 0.333812 0.167074 0.610990 1 S S119 1 0.416822 0.291831 0.610898 1 S S120 1 0.500000 0.416676 0.610827 1 S S121 1 0.583256 0.541556 0.610708 1 S S122 1 0.666384 0.666550 0.610746 1 S S123 1 0.746428 0.792840 0.611211 1 S S124 1 0.830395 0.919141 0.611282 1 S S125 1 0.417123 0.042482 0.611037 1 S S126 1 0.500000 0.167194 0.610948 1 S S127 1 0.583178 0.291831 0.610898 1 S S128 1 0.666469 0.416403 0.610809 1 S S129 1 0.749700 0.541245 0.610733 1 S S130 1 0.833648 0.666761 0.609421 1 S S131 1 0.907681 0.796357 0.613092 1 S S132 1 -0.000000 0.916558 0.609487 1 S S133 1 0.582876 0.042482 0.611037 1 S S134 1 0.666188 0.167074 0.610990 1 S S135 1 0.749666 0.291193 0.610915 1 S S136 1 0.832851 0.415177 0.610905 1 S S137 1 0.915802 0.538002 0.611188 1 S S138 1 0.000001 0.657296 0.612992 1 S S139 1 0.748926 0.042727 0.611007 1 S S140 1 0.833037 0.166558 0.610869 1 S S141 1 0.916505 0.290713 0.610894 1 S S142 1 0.000000 0.414598 0.611030 1 S S143 1 0.916480 0.041965 0.610807 1 S S144 1 0.000000 0.166330 0.610808 1