# generated using pymatgen data_W47S96Cl _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 W47S96Cl _chemical_formula_sum 'W47 S96 Cl1' _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 W W1 1 0.089579 0.876486 0.500000 1 W W2 1 0.000000 0.497824 0.499999 1 W W3 1 0.081583 0.621630 0.500000 1 W W4 1 0.173242 0.750511 0.500000 1 W W5 1 0.252296 0.876345 0.500002 1 W W6 1 -0.000000 0.249401 0.499999 1 W W7 1 0.083331 0.373687 0.499999 1 W W8 1 0.167692 0.498414 0.500000 1 W W9 1 0.250072 0.624311 0.500000 1 W W10 1 0.335472 0.749779 0.500002 1 W W11 1 0.417697 0.875154 0.500001 1 W W12 1 -0.000000 0.000202 0.500000 1 W W13 1 0.083389 0.124615 0.499999 1 W W14 1 0.166889 0.249361 0.499998 1 W W15 1 0.250262 0.374318 0.499999 1 W W16 1 0.333345 0.499408 0.500001 1 W W17 1 0.417175 0.624527 0.500001 1 W W18 1 0.500000 0.749528 0.500000 1 W W19 1 0.582303 0.875154 0.500001 1 W W20 1 0.167610 0.000556 0.500000 1 W W21 1 0.250208 0.125395 0.500000 1 W W22 1 0.333366 0.249728 0.500000 1 W W23 1 0.416984 0.374693 0.500001 1 W W24 1 0.500000 0.499563 0.500001 1 W W25 1 0.582825 0.624527 0.500001 1 W W26 1 0.664528 0.749779 0.500002 1 W W27 1 0.747704 0.876345 0.500001 1 W W28 1 0.334083 0.000572 0.500001 1 W W29 1 0.416997 0.125178 0.500000 1 W W30 1 0.500000 0.250163 0.500000 1 W W31 1 0.583016 0.374693 0.500001 1 W W32 1 0.666655 0.499408 0.500000 1 W W33 1 0.749929 0.624311 0.500000 1 W W34 1 0.826758 0.750510 0.500000 1 W W35 1 0.910421 0.876486 0.500000 1 W W36 1 0.500000 0.000465 0.500000 1 W W37 1 0.583003 0.125179 0.500000 1 W W38 1 0.666634 0.249728 0.500000 1 W W39 1 0.749738 0.374318 0.499999 1 W W40 1 0.832308 0.498414 0.499999 1 W W41 1 0.918418 0.621630 0.500001 1 W W42 1 0.665917 0.000572 0.500001 1 W W43 1 0.749792 0.125395 0.500000 1 W W44 1 0.833111 0.249362 0.499999 1 W W45 1 0.916669 0.373687 0.500000 1 W W46 1 0.832390 0.000556 0.500000 1 W W47 1 0.916611 0.124615 0.499999 1 S S48 1 0.097235 0.793036 0.385936 1 S S49 1 0.169676 0.918358 0.387956 1 S S50 1 0.083944 0.538588 0.389086 1 S S51 1 0.165907 0.665846 0.390589 1 S S52 1 0.254911 0.793093 0.388305 1 S S53 1 0.335136 0.917496 0.388860 1 S S54 1 0.083491 0.290640 0.389083 1 S S55 1 0.166829 0.415309 0.389180 1 S S56 1 0.250357 0.541085 0.389043 1 S S57 1 0.333839 0.665994 0.389332 1 S S58 1 0.417772 0.791630 0.388882 1 S S59 1 0.500000 0.917219 0.388783 1 S S60 1 0.083412 0.041436 0.389124 1 S S61 1 0.166588 0.166294 0.389004 1 S S62 1 0.250128 0.291207 0.389126 1 S S63 1 0.333612 0.416119 0.389207 1 S S64 1 0.416692 0.541137 0.389237 1 S S65 1 0.500000 0.666221 0.388816 1 S S66 1 0.582228 0.791629 0.388883 1 S S67 1 0.664864 0.917496 0.388859 1 S S68 1 0.250735 0.042363 0.389103 1 S S69 1 0.333658 0.166639 0.389061 1 S S70 1 0.416575 0.291483 0.389154 1 S S71 1 0.500000 0.416482 0.389015 1 S S72 1 0.583308 0.541138 0.389237 1 S S73 1 0.666161 0.665994 0.389334 1 S S74 1 0.745089 0.793093 0.388306 1 S S75 1 0.830324 0.918358 0.387956 1 S S76 1 0.416971 0.042124 0.388903 1 S S77 1 0.500000 0.167022 0.389064 1 S S78 1 0.583425 0.291483 0.389154 1 S S79 1 0.666388 0.416119 0.389207 1 S S80 1 0.749644 0.541085 0.389044 1 S S81 1 0.834093 0.665846 0.390589 1 S S82 1 0.902765 0.793036 0.385937 1 S S83 1 -0.000000 0.916096 0.390200 1 S S84 1 0.583029 0.042124 0.388902 1 S S85 1 0.666342 0.166639 0.389059 1 S S86 1 0.749872 0.291207 0.389124 1 S S87 1 0.833172 0.415310 0.389180 1 S S88 1 0.916056 0.538588 0.389086 1 S S89 1 0.000000 0.661336 0.389991 1 S S90 1 0.749265 0.042363 0.389103 1 S S91 1 0.833412 0.166294 0.389003 1 S S92 1 0.916509 0.290640 0.389083 1 S S93 1 0.000000 0.415042 0.388954 1 S S94 1 0.916587 0.041435 0.389124 1 S S95 1 0.000000 0.166219 0.389170 1 S S96 1 0.097235 0.793036 0.614064 1 S S97 1 0.169676 0.918358 0.612044 1 S S98 1 0.083944 0.538588 0.610916 1 S S99 1 0.165907 0.665847 0.609411 1 S S100 1 0.254911 0.793094 0.611692 1 S S101 1 0.335136 0.917496 0.611142 1 S S102 1 0.083491 0.290639 0.610914 1 S S103 1 0.166829 0.415309 0.610822 1 S S104 1 0.250356 0.541085 0.610957 1 S S105 1 0.333840 0.665994 0.610667 1 S S106 1 0.417772 0.791628 0.611116 1 S S107 1 0.500000 0.917220 0.611220 1 S S108 1 0.083412 0.041437 0.610873 1 S S109 1 0.166588 0.166294 0.610997 1 S S110 1 0.250127 0.291206 0.610874 1 S S111 1 0.333612 0.416119 0.610792 1 S S112 1 0.416692 0.541137 0.610761 1 S S113 1 0.500000 0.666223 0.611181 1 S S114 1 0.582228 0.791628 0.611116 1 S S115 1 0.664863 0.917496 0.611142 1 S S116 1 0.250734 0.042363 0.610900 1 S S117 1 0.333658 0.166638 0.610941 1 S S118 1 0.416575 0.291483 0.610845 1 S S119 1 0.500000 0.416483 0.610983 1 S S120 1 0.583308 0.541137 0.610762 1 S S121 1 0.666160 0.665994 0.610668 1 S S122 1 0.745089 0.793094 0.611693 1 S S123 1 0.830324 0.918358 0.612044 1 S S124 1 0.416971 0.042124 0.611099 1 S S125 1 0.500000 0.167023 0.610940 1 S S126 1 0.583425 0.291483 0.610845 1 S S127 1 0.666389 0.416119 0.610791 1 S S128 1 0.749644 0.541085 0.610957 1 S S129 1 0.834093 0.665847 0.609412 1 S S130 1 0.902765 0.793036 0.614065 1 S S131 1 0.000001 0.916097 0.609799 1 S S132 1 0.583028 0.042124 0.611098 1 S S133 1 0.666343 0.166638 0.610940 1 S S134 1 0.749872 0.291206 0.610872 1 S S135 1 0.833171 0.415309 0.610822 1 S S136 1 0.916055 0.538588 0.610916 1 S S137 1 0.000000 0.661337 0.610010 1 S S138 1 0.749266 0.042363 0.610898 1 S S139 1 0.833411 0.166294 0.610995 1 S S140 1 0.916508 0.290639 0.610914 1 S S141 1 -0.000000 0.415041 0.611048 1 S S142 1 0.916588 0.041437 0.610873 1 S S143 1 0.000000 0.166219 0.610827 1 Cl Cl144 1 -0.000000 0.792769 0.500000 1