# generated using pymatgen data_AlW47S96 _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 AlW47S96 _chemical_formula_sum 'Al1 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 Al Al1 1 0.000000 0.750194 0.500000 1 W W2 1 0.085245 0.877279 0.500000 1 W W3 1 -0.000000 0.498681 0.500000 1 W W4 1 0.084443 0.622327 0.500000 1 W W5 1 0.169791 0.750478 0.500000 1 W W6 1 0.251082 0.875667 0.500000 1 W W7 1 -0.000000 0.249478 0.500000 1 W W8 1 0.083439 0.374124 0.500000 1 W W9 1 0.166582 0.498986 0.500000 1 W W10 1 0.249932 0.625049 0.500000 1 W W11 1 0.334067 0.750646 0.500000 1 W W12 1 0.417126 0.875488 0.500000 1 W W13 1 -0.000000 -0.000079 0.500000 1 W W14 1 0.083486 0.124846 0.500000 1 W W15 1 0.166786 0.249633 0.500000 1 W W16 1 0.250138 0.374538 0.500000 1 W W17 1 0.333326 0.499916 0.500000 1 W W18 1 0.416729 0.625208 0.500000 1 W W19 1 0.500000 0.750361 0.500000 1 W W20 1 0.582874 0.875488 0.500000 1 W W21 1 0.167695 0.000365 0.500000 1 W W22 1 0.250373 0.125190 0.500000 1 W W23 1 0.333479 0.249963 0.500000 1 W W24 1 0.416697 0.375003 0.500000 1 W W25 1 0.500000 0.500103 0.500000 1 W W26 1 0.583271 0.625208 0.500000 1 W W27 1 0.665933 0.750646 0.500000 1 W W28 1 0.748918 0.875667 0.500000 1 W W29 1 0.333913 0.000527 0.500000 1 W W30 1 0.416843 0.125250 0.500000 1 W W31 1 0.500000 0.250105 0.500000 1 W W32 1 0.583303 0.375003 0.500000 1 W W33 1 0.666674 0.499916 0.500000 1 W W34 1 0.750068 0.625049 0.500000 1 W W35 1 0.830208 0.750478 0.500000 1 W W36 1 0.914755 0.877279 0.500000 1 W W37 1 0.500000 0.000416 0.500000 1 W W38 1 0.583157 0.125250 0.500000 1 W W39 1 0.666521 0.249963 0.500000 1 W W40 1 0.749862 0.374538 0.500000 1 W W41 1 0.833418 0.498986 0.500000 1 W W42 1 0.915557 0.622327 0.500000 1 W W43 1 0.666087 0.000527 0.500000 1 W W44 1 0.749627 0.125190 0.500000 1 W W45 1 0.833214 0.249633 0.500000 1 W W46 1 0.916561 0.374124 0.500000 1 W W47 1 0.832305 0.000365 0.500000 1 W W48 1 0.916514 0.124846 0.500000 1 S S49 1 0.084617 0.792391 0.391933 1 S S50 1 0.168125 0.917586 0.388670 1 S S51 1 0.083484 0.539985 0.388724 1 S S52 1 0.166430 0.666806 0.389816 1 S S53 1 0.251542 0.792420 0.388671 1 S S54 1 0.334135 0.917270 0.389166 1 S S55 1 0.083374 0.291033 0.389188 1 S S56 1 0.166784 0.415887 0.389222 1 S S57 1 0.249914 0.541522 0.389447 1 S S58 1 0.333395 0.666884 0.389420 1 S S59 1 0.417082 0.792106 0.389112 1 S S60 1 0.500000 0.917155 0.389052 1 S S61 1 0.083555 0.041577 0.389397 1 S S62 1 0.166782 0.166466 0.389231 1 S S63 1 0.250081 0.291353 0.389211 1 S S64 1 0.333334 0.416595 0.389318 1 S S65 1 0.416629 0.541797 0.389382 1 S S66 1 0.500000 0.666886 0.389308 1 S S67 1 0.582918 0.792106 0.389112 1 S S68 1 0.665865 0.917270 0.389166 1 S S69 1 0.250604 0.042072 0.389134 1 S S70 1 0.333556 0.166797 0.389168 1 S S71 1 0.416707 0.291734 0.389257 1 S S72 1 0.500000 0.416763 0.389319 1 S S73 1 0.583371 0.541797 0.389382 1 S S74 1 0.666605 0.666884 0.389420 1 S S75 1 0.748457 0.792420 0.388671 1 S S76 1 0.831875 0.917586 0.388670 1 S S77 1 0.416938 0.042058 0.389091 1 S S78 1 0.500000 0.166875 0.389174 1 S S79 1 0.583293 0.291734 0.389258 1 S S80 1 0.666666 0.416595 0.389318 1 S S81 1 0.750086 0.541522 0.389447 1 S S82 1 0.833570 0.666806 0.389816 1 S S83 1 0.915383 0.792391 0.391933 1 S S84 1 -0.000000 0.916534 0.389742 1 S S85 1 0.583062 0.042058 0.389091 1 S S86 1 0.666444 0.166797 0.389168 1 S S87 1 0.749919 0.291353 0.389211 1 S S88 1 0.833216 0.415887 0.389222 1 S S89 1 0.916516 0.539985 0.388724 1 S S90 1 0.000000 0.665206 0.392033 1 S S91 1 0.749396 0.042072 0.389134 1 S S92 1 0.833218 0.166466 0.389231 1 S S93 1 0.916626 0.291033 0.389188 1 S S94 1 0.000000 0.415527 0.389239 1 S S95 1 0.916445 0.041577 0.389397 1 S S96 1 -0.000000 0.166277 0.389277 1 S S97 1 0.084617 0.792391 0.608067 1 S S98 1 0.168125 0.917586 0.611330 1 S S99 1 0.083484 0.539985 0.611276 1 S S100 1 0.166430 0.666806 0.610184 1 S S101 1 0.251542 0.792420 0.611329 1 S S102 1 0.334135 0.917270 0.610834 1 S S103 1 0.083374 0.291033 0.610812 1 S S104 1 0.166784 0.415887 0.610778 1 S S105 1 0.249914 0.541522 0.610553 1 S S106 1 0.333395 0.666884 0.610580 1 S S107 1 0.417082 0.792106 0.610888 1 S S108 1 0.500000 0.917155 0.610948 1 S S109 1 0.083555 0.041577 0.610603 1 S S110 1 0.166782 0.166466 0.610769 1 S S111 1 0.250081 0.291353 0.610789 1 S S112 1 0.333334 0.416595 0.610682 1 S S113 1 0.416629 0.541797 0.610618 1 S S114 1 0.500000 0.666886 0.610692 1 S S115 1 0.582918 0.792106 0.610888 1 S S116 1 0.665865 0.917270 0.610834 1 S S117 1 0.250604 0.042072 0.610866 1 S S118 1 0.333556 0.166797 0.610832 1 S S119 1 0.416707 0.291734 0.610743 1 S S120 1 0.500000 0.416763 0.610681 1 S S121 1 0.583371 0.541797 0.610618 1 S S122 1 0.666605 0.666884 0.610580 1 S S123 1 0.748457 0.792420 0.611329 1 S S124 1 0.831875 0.917586 0.611330 1 S S125 1 0.416938 0.042058 0.610909 1 S S126 1 0.500000 0.166875 0.610826 1 S S127 1 0.583293 0.291734 0.610743 1 S S128 1 0.666666 0.416595 0.610682 1 S S129 1 0.750086 0.541522 0.610553 1 S S130 1 0.833570 0.666806 0.610184 1 S S131 1 0.915383 0.792391 0.608067 1 S S132 1 -0.000000 0.916534 0.610258 1 S S133 1 0.583062 0.042058 0.610909 1 S S134 1 0.666444 0.166797 0.610832 1 S S135 1 0.749919 0.291353 0.610789 1 S S136 1 0.833216 0.415887 0.610778 1 S S137 1 0.916516 0.539985 0.611276 1 S S138 1 0.000000 0.665206 0.607967 1 S S139 1 0.749396 0.042072 0.610866 1 S S140 1 0.833218 0.166466 0.610769 1 S S141 1 0.916626 0.291033 0.610812 1 S S142 1 0.000000 0.415527 0.610761 1 S S143 1 0.916445 0.041577 0.610603 1 S S144 1 0.000000 0.166277 0.610723 1