# generated using pymatgen data_SnW47S96 _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 SnW47S96 _chemical_formula_sum 'Sn1 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 Sn Sn1 1 0.000000 0.749780 0.500000 1 W W2 1 0.087311 0.878780 0.500000 1 W W3 1 0.000000 0.498080 0.500000 1 W W4 1 0.085112 0.619982 0.500000 1 W W5 1 0.172341 0.751096 0.500000 1 W W6 1 0.251635 0.875961 0.500000 1 W W7 1 0.000000 0.248961 0.500000 1 W W8 1 0.084172 0.373279 0.500000 1 W W9 1 0.166084 0.497857 0.500000 1 W W10 1 0.250282 0.624782 0.500000 1 W W11 1 0.334684 0.751405 0.500000 1 W W12 1 0.417949 0.875548 0.500000 1 W W13 1 -0.000000 0.000246 0.500000 1 W W14 1 0.082774 0.124757 0.500000 1 W W15 1 0.166685 0.249949 0.500000 1 W W16 1 0.249548 0.374311 0.500000 1 W W17 1 0.333704 0.500368 0.500000 1 W W18 1 0.416438 0.624746 0.500000 1 W W19 1 0.500000 0.750690 0.500000 1 W W20 1 0.582051 0.875548 0.500000 1 W W21 1 0.168970 0.000550 0.500000 1 W W22 1 0.251067 0.125000 0.499999 1 W W23 1 0.333741 0.250096 0.499999 1 W W24 1 0.417422 0.374957 0.500000 1 W W25 1 0.500000 0.500351 0.500000 1 W W26 1 0.583562 0.624746 0.500000 1 W W27 1 0.665316 0.751405 0.500000 1 W W28 1 0.748365 0.875961 0.500000 1 W W29 1 0.334270 0.001477 0.499999 1 W W30 1 0.416446 0.125147 0.499999 1 W W31 1 0.500000 0.251083 0.499999 1 W W32 1 0.582578 0.374957 0.500000 1 W W33 1 0.666296 0.500368 0.500000 1 W W34 1 0.749718 0.624782 0.500000 1 W W35 1 0.827659 0.751096 0.500000 1 W W36 1 0.912689 0.878780 0.500000 1 W W37 1 0.500000 0.000687 0.499999 1 W W38 1 0.583554 0.125148 0.499999 1 W W39 1 0.666259 0.250096 0.500000 1 W W40 1 0.750452 0.374311 0.500000 1 W W41 1 0.833916 0.497857 0.500000 1 W W42 1 0.914888 0.619982 0.500000 1 W W43 1 0.665730 0.001477 0.500000 1 W W44 1 0.748933 0.125000 0.500000 1 W W45 1 0.833315 0.249949 0.500000 1 W W46 1 0.915828 0.373279 0.500000 1 W W47 1 0.831030 0.000550 0.500000 1 W W48 1 0.917226 0.124757 0.500000 1 S S49 1 0.091148 0.795637 0.386620 1 S S50 1 0.169585 0.918362 0.388041 1 S S51 1 0.083493 0.538460 0.388062 1 S S52 1 0.166642 0.666613 0.390755 1 S S53 1 0.252927 0.793141 0.387993 1 S S54 1 0.334904 0.917864 0.389240 1 S S55 1 0.083201 0.290518 0.389040 1 S S56 1 0.166823 0.415294 0.388850 1 S S57 1 0.249705 0.541180 0.389837 1 S S58 1 0.333500 0.667089 0.389772 1 S S59 1 0.417525 0.792341 0.389003 1 S S60 1 0.500000 0.917638 0.388923 1 S S61 1 0.083907 0.041468 0.389749 1 S S62 1 0.166860 0.166374 0.389615 1 S S63 1 0.250226 0.291261 0.389418 1 S S64 1 0.333444 0.416527 0.389752 1 S S65 1 0.416763 0.541734 0.389050 1 S S66 1 0.500000 0.666743 0.389674 1 S S67 1 0.582475 0.792341 0.389004 1 S S68 1 0.665096 0.917864 0.389240 1 S S69 1 0.251115 0.042463 0.388831 1 S S70 1 0.333689 0.167028 0.389250 1 S S71 1 0.416753 0.291952 0.389201 1 S S72 1 0.500000 0.417151 0.389114 1 S S73 1 0.583237 0.541734 0.389050 1 S S74 1 0.666500 0.667089 0.389772 1 S S75 1 0.747073 0.793141 0.387993 1 S S76 1 0.830415 0.918362 0.388041 1 S S77 1 0.417250 0.042348 0.388925 1 S S78 1 0.500000 0.167279 0.389562 1 S S79 1 0.583247 0.291952 0.389201 1 S S80 1 0.666557 0.416527 0.389752 1 S S81 1 0.750295 0.541180 0.389837 1 S S82 1 0.833358 0.666613 0.390755 1 S S83 1 0.908852 0.795637 0.386620 1 S S84 1 -0.000000 0.916645 0.390708 1 S S85 1 0.582750 0.042348 0.388925 1 S S86 1 0.666311 0.167028 0.389250 1 S S87 1 0.749774 0.291261 0.389418 1 S S88 1 0.833177 0.415294 0.388850 1 S S89 1 0.916507 0.538460 0.388062 1 S S90 1 -0.000000 0.658609 0.386561 1 S S91 1 0.748885 0.042463 0.388831 1 S S92 1 0.833140 0.166374 0.389615 1 S S93 1 0.916799 0.290518 0.389040 1 S S94 1 -0.000000 0.414490 0.389441 1 S S95 1 0.916093 0.041468 0.389749 1 S S96 1 -0.000000 0.166162 0.388827 1 S S97 1 0.091148 0.795637 0.613380 1 S S98 1 0.169585 0.918362 0.611959 1 S S99 1 0.083493 0.538460 0.611938 1 S S100 1 0.166642 0.666613 0.609245 1 S S101 1 0.252927 0.793141 0.612007 1 S S102 1 0.334904 0.917864 0.610760 1 S S103 1 0.083201 0.290518 0.610960 1 S S104 1 0.166823 0.415294 0.611150 1 S S105 1 0.249705 0.541180 0.610163 1 S S106 1 0.333500 0.667089 0.610228 1 S S107 1 0.417525 0.792341 0.610997 1 S S108 1 0.500000 0.917638 0.611078 1 S S109 1 0.083907 0.041468 0.610251 1 S S110 1 0.166860 0.166374 0.610386 1 S S111 1 0.250226 0.291261 0.610582 1 S S112 1 0.333443 0.416527 0.610248 1 S S113 1 0.416763 0.541734 0.610950 1 S S114 1 0.500000 0.666743 0.610327 1 S S115 1 0.582475 0.792341 0.610997 1 S S116 1 0.665096 0.917864 0.610760 1 S S117 1 0.251115 0.042463 0.611169 1 S S118 1 0.333689 0.167027 0.610750 1 S S119 1 0.416753 0.291952 0.610799 1 S S120 1 0.500000 0.417151 0.610886 1 S S121 1 0.583237 0.541734 0.610951 1 S S122 1 0.666500 0.667089 0.610228 1 S S123 1 0.747073 0.793141 0.612007 1 S S124 1 0.830415 0.918362 0.611959 1 S S125 1 0.417250 0.042348 0.611076 1 S S126 1 0.500000 0.167279 0.610439 1 S S127 1 0.583247 0.291952 0.610799 1 S S128 1 0.666556 0.416527 0.610248 1 S S129 1 0.750295 0.541180 0.610164 1 S S130 1 0.833358 0.666613 0.609245 1 S S131 1 0.908852 0.795637 0.613380 1 S S132 1 0.000000 0.916645 0.609292 1 S S133 1 0.582750 0.042348 0.611075 1 S S134 1 0.666311 0.167027 0.610750 1 S S135 1 0.749774 0.291261 0.610582 1 S S136 1 0.833177 0.415294 0.611150 1 S S137 1 0.916507 0.538460 0.611939 1 S S138 1 0.000000 0.658609 0.613440 1 S S139 1 0.748885 0.042463 0.611169 1 S S140 1 0.833140 0.166374 0.610386 1 S S141 1 0.916799 0.290518 0.610960 1 S S142 1 0.000000 0.414490 0.610559 1 S S143 1 0.916093 0.041468 0.610251 1 S S144 1 0.000000 0.166162 0.611173 1