# generated using pymatgen data_SbW47S96 _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 SbW47S96 _chemical_formula_sum 'Sb1 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 Sb Sb1 1 -0.000000 0.749566 0.500000 1 W W2 1 0.087951 0.879454 0.500000 1 W W3 1 -0.000000 0.496948 0.500000 1 W W4 1 0.085408 0.619153 0.500000 1 W W5 1 0.173168 0.751266 0.500000 1 W W6 1 0.252557 0.876580 0.500000 1 W W7 1 -0.000000 0.249219 0.500000 1 W W8 1 0.083731 0.373288 0.500000 1 W W9 1 0.167301 0.497398 0.500001 1 W W10 1 0.250406 0.624638 0.500001 1 W W11 1 0.335556 0.750811 0.500001 1 W W12 1 0.417641 0.875872 0.500001 1 W W13 1 -0.000000 0.000480 0.500000 1 W W14 1 0.083633 0.125102 0.500000 1 W W15 1 0.167072 0.249482 0.500001 1 W W16 1 0.250545 0.374039 0.500001 1 W W17 1 0.333638 0.499538 0.500002 1 W W18 1 0.416913 0.624893 0.500001 1 W W19 1 0.500000 0.750369 0.500001 1 W W20 1 0.582359 0.875872 0.500001 1 W W21 1 0.168787 0.001732 0.500000 1 W W22 1 0.250849 0.125714 0.500001 1 W W23 1 0.333804 0.250090 0.500001 1 W W24 1 0.416855 0.374928 0.500001 1 W W25 1 0.500000 0.499874 0.500000 1 W W26 1 0.583087 0.624893 0.500000 1 W W27 1 0.664444 0.750811 0.500001 1 W W28 1 0.747443 0.876580 0.500000 1 W W29 1 0.334456 0.001290 0.500001 1 W W30 1 0.417067 0.125744 0.500000 1 W W31 1 0.500000 0.250364 0.500000 1 W W32 1 0.583145 0.374928 0.499999 1 W W33 1 0.666362 0.499538 0.499998 1 W W34 1 0.749594 0.624638 0.499999 1 W W35 1 0.826832 0.751266 0.500000 1 W W36 1 0.912049 0.879454 0.500000 1 W W37 1 0.500000 0.000966 0.500001 1 W W38 1 0.582933 0.125744 0.500000 1 W W39 1 0.666196 0.250090 0.500000 1 W W40 1 0.749455 0.374039 0.499999 1 W W41 1 0.832699 0.497398 0.499999 1 W W42 1 0.914592 0.619153 0.500000 1 W W43 1 0.665544 0.001290 0.500000 1 W W44 1 0.749151 0.125714 0.500000 1 W W45 1 0.832928 0.249482 0.500000 1 W W46 1 0.916269 0.373288 0.499999 1 W W47 1 0.831213 0.001732 0.500000 1 W W48 1 0.916367 0.125102 0.500000 1 S S49 1 0.092161 0.796256 0.389719 1 S S50 1 0.170350 0.919608 0.388331 1 S S51 1 0.084252 0.537197 0.388413 1 S S52 1 0.166944 0.666404 0.390684 1 S S53 1 0.254346 0.793229 0.388319 1 S S54 1 0.335066 0.918050 0.389005 1 S S55 1 0.083527 0.290490 0.389065 1 S S56 1 0.167239 0.414726 0.388935 1 S S57 1 0.250285 0.540936 0.389515 1 S S58 1 0.333850 0.666705 0.389497 1 S S59 1 0.417851 0.792422 0.388857 1 S S60 1 0.500000 0.917760 0.388875 1 S S61 1 0.083793 0.042057 0.389421 1 S S62 1 0.167045 0.166553 0.389111 1 S S63 1 0.250418 0.291102 0.389055 1 S S64 1 0.333588 0.416311 0.389185 1 S S65 1 0.416747 0.541516 0.389296 1 S S66 1 0.500000 0.666689 0.389285 1 S S67 1 0.582148 0.792422 0.388857 1 S S68 1 0.664934 0.918050 0.389005 1 S S69 1 0.251457 0.043024 0.388811 1 S S70 1 0.333917 0.167189 0.388978 1 S S71 1 0.416863 0.291862 0.389054 1 S S72 1 0.500000 0.416660 0.389174 1 S S73 1 0.583253 0.541516 0.389296 1 S S74 1 0.666150 0.666705 0.389498 1 S S75 1 0.745654 0.793229 0.388319 1 S S76 1 0.829650 0.919608 0.388331 1 S S77 1 0.417232 0.042709 0.388919 1 S S78 1 0.500000 0.167347 0.388963 1 S S79 1 0.583137 0.291862 0.389054 1 S S80 1 0.666412 0.416311 0.389186 1 S S81 1 0.749715 0.540936 0.389516 1 S S82 1 0.833056 0.666404 0.390684 1 S S83 1 0.907839 0.796256 0.389719 1 S S84 1 0.000000 0.917044 0.390664 1 S S85 1 0.582768 0.042709 0.388919 1 S S86 1 0.666084 0.167189 0.388978 1 S S87 1 0.749582 0.291102 0.389056 1 S S88 1 0.832761 0.414726 0.388936 1 S S89 1 0.915748 0.537197 0.388413 1 S S90 1 0.000000 0.657434 0.389583 1 S S91 1 0.748543 0.043024 0.388811 1 S S92 1 0.832955 0.166553 0.389111 1 S S93 1 0.916473 0.290490 0.389065 1 S S94 1 -0.000000 0.414248 0.389119 1 S S95 1 0.916207 0.042057 0.389421 1 S S96 1 -0.000000 0.166236 0.389201 1 S S97 1 0.092161 0.796256 0.610281 1 S S98 1 0.170350 0.919608 0.611669 1 S S99 1 0.084252 0.537197 0.611587 1 S S100 1 0.166944 0.666404 0.609316 1 S S101 1 0.254346 0.793229 0.611681 1 S S102 1 0.335066 0.918050 0.610994 1 S S103 1 0.083527 0.290490 0.610935 1 S S104 1 0.167239 0.414726 0.611064 1 S S105 1 0.250285 0.540936 0.610484 1 S S106 1 0.333850 0.666705 0.610502 1 S S107 1 0.417852 0.792422 0.611142 1 S S108 1 0.500000 0.917760 0.611124 1 S S109 1 0.083793 0.042057 0.610579 1 S S110 1 0.167045 0.166554 0.610888 1 S S111 1 0.250418 0.291102 0.610944 1 S S112 1 0.333588 0.416311 0.610813 1 S S113 1 0.416747 0.541516 0.610703 1 S S114 1 0.500000 0.666689 0.610714 1 S S115 1 0.582148 0.792422 0.611142 1 S S116 1 0.664934 0.918050 0.610995 1 S S117 1 0.251458 0.043024 0.611189 1 S S118 1 0.333916 0.167189 0.611021 1 S S119 1 0.416863 0.291862 0.610946 1 S S120 1 0.500000 0.416660 0.610825 1 S S121 1 0.583253 0.541516 0.610704 1 S S122 1 0.666150 0.666705 0.610502 1 S S123 1 0.745654 0.793229 0.611681 1 S S124 1 0.829650 0.919608 0.611669 1 S S125 1 0.417232 0.042709 0.611081 1 S S126 1 0.500000 0.167347 0.611037 1 S S127 1 0.583137 0.291862 0.610946 1 S S128 1 0.666412 0.416311 0.610815 1 S S129 1 0.749715 0.540936 0.610486 1 S S130 1 0.833056 0.666404 0.609316 1 S S131 1 0.907839 0.796256 0.610281 1 S S132 1 -0.000000 0.917044 0.609337 1 S S133 1 0.582768 0.042709 0.611081 1 S S134 1 0.666084 0.167189 0.611022 1 S S135 1 0.749582 0.291102 0.610945 1 S S136 1 0.832761 0.414726 0.611065 1 S S137 1 0.915748 0.537197 0.611587 1 S S138 1 -0.000000 0.657434 0.610418 1 S S139 1 0.748542 0.043024 0.611189 1 S S140 1 0.832955 0.166554 0.610889 1 S S141 1 0.916473 0.290490 0.610935 1 S S142 1 0.000000 0.414248 0.610881 1 S S143 1 0.916207 0.042057 0.610580 1 S S144 1 0.000000 0.166236 0.610799 1