# 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 0.090879 0.879399 0.500000 1 W W2 1 0.000000 0.494777 0.500001 1 W W3 1 0.083980 0.616763 0.500000 1 W W4 1 0.174420 0.753371 0.500000 1 W W5 1 0.254189 0.877538 0.500000 1 W W6 1 0.000000 0.247832 0.500001 1 W W7 1 0.083262 0.371947 0.500001 1 W W8 1 0.166025 0.497102 0.500001 1 W W9 1 0.248586 0.625621 0.500001 1 W W10 1 0.335175 0.752056 0.500001 1 W W11 1 0.417924 0.876808 0.500000 1 W W12 1 0.000000 -0.001729 0.500000 1 W W13 1 0.083717 0.123766 0.500001 1 W W14 1 0.167071 0.248459 0.500001 1 W W15 1 0.250439 0.373628 0.500001 1 W W16 1 0.332887 0.500118 0.500002 1 W W17 1 0.416563 0.625879 0.500003 1 W W18 1 0.500000 0.751110 0.500002 1 W W19 1 0.582076 0.876808 0.500001 1 W W20 1 0.169480 0.000562 0.500000 1 W W21 1 0.251181 0.125663 0.500000 1 W W22 1 0.333734 0.250119 0.500001 1 W W23 1 0.416545 0.375667 0.500002 1 W W24 1 0.500000 0.500762 0.500003 1 W W25 1 0.583437 0.625879 0.500003 1 W W26 1 0.664825 0.752056 0.500002 1 W W27 1 0.745811 0.877538 0.500001 1 W W28 1 0.335320 0.001554 0.500000 1 W W29 1 0.417258 0.126308 0.500000 1 W W30 1 0.500000 0.250850 0.500001 1 W W31 1 0.583455 0.375667 0.500003 1 W W32 1 0.667113 0.500118 0.500003 1 W W33 1 0.751414 0.625622 0.500001 1 W W34 1 0.825580 0.753371 0.500001 1 W W35 1 0.909121 0.879399 0.500000 1 W W36 1 0.500000 0.001597 0.500000 1 W W37 1 0.582742 0.126308 0.500000 1 W W38 1 0.666267 0.250119 0.500001 1 W W39 1 0.749561 0.373628 0.500003 1 W W40 1 0.833975 0.497102 0.500001 1 W W41 1 0.916020 0.616763 0.500000 1 W W42 1 0.664680 0.001554 0.500000 1 W W43 1 0.748819 0.125663 0.500001 1 W W44 1 0.832929 0.248459 0.500002 1 W W45 1 0.916738 0.371947 0.500002 1 W W46 1 0.830520 0.000562 0.500001 1 W W47 1 0.916283 0.123766 0.500001 1 S S48 1 0.094011 0.797153 0.389295 1 S S49 1 0.171958 0.919133 0.387127 1 S S50 1 0.083062 0.535851 0.387444 1 S S51 1 0.163981 0.667864 0.392170 1 S S52 1 0.254773 0.794616 0.387477 1 S S53 1 0.336080 0.918854 0.388284 1 S S54 1 0.083486 0.289216 0.389108 1 S S55 1 0.166732 0.414198 0.389349 1 S S56 1 0.249200 0.541600 0.389734 1 S S57 1 0.332807 0.667421 0.389810 1 S S58 1 0.417782 0.793178 0.389041 1 S S59 1 0.500000 0.918484 0.388697 1 S S60 1 0.083698 0.040506 0.389537 1 S S61 1 0.166967 0.165556 0.389214 1 S S62 1 0.250195 0.290703 0.389194 1 S S63 1 0.333051 0.416817 0.389418 1 S S64 1 0.416269 0.542372 0.389741 1 S S65 1 0.500000 0.667493 0.389467 1 S S66 1 0.582218 0.793178 0.389041 1 S S67 1 0.663920 0.918854 0.388283 1 S S68 1 0.251793 0.042754 0.389113 1 S S69 1 0.334026 0.167352 0.388982 1 S S70 1 0.416718 0.292464 0.389350 1 S S71 1 0.500000 0.417435 0.389479 1 S S72 1 0.583731 0.542372 0.389740 1 S S73 1 0.667193 0.667421 0.389809 1 S S74 1 0.745227 0.794616 0.387476 1 S S75 1 0.828042 0.919133 0.387126 1 S S76 1 0.417499 0.043356 0.388804 1 S S77 1 0.500000 0.167981 0.388998 1 S S78 1 0.583282 0.292464 0.389350 1 S S79 1 0.666949 0.416817 0.389417 1 S S80 1 0.750800 0.541600 0.389733 1 S S81 1 0.836019 0.667864 0.392170 1 S S82 1 0.905989 0.797153 0.389295 1 S S83 1 0.000000 0.913819 0.392067 1 S S84 1 0.582501 0.043356 0.388804 1 S S85 1 0.665974 0.167352 0.388981 1 S S86 1 0.749805 0.290702 0.389194 1 S S87 1 0.833268 0.414198 0.389348 1 S S88 1 0.916938 0.535851 0.387444 1 S S89 1 -0.000000 0.655512 0.389602 1 S S90 1 0.748207 0.042754 0.389113 1 S S91 1 0.833033 0.165556 0.389214 1 S S92 1 0.916514 0.289216 0.389108 1 S S93 1 0.000000 0.412550 0.388449 1 S S94 1 0.916302 0.040506 0.389537 1 S S95 1 0.000000 0.164775 0.389415 1 S S96 1 0.094011 0.797153 0.610705 1 S S97 1 0.171958 0.919133 0.612873 1 S S98 1 0.083062 0.535851 0.612555 1 S S99 1 0.163981 0.667864 0.607830 1 S S100 1 0.254773 0.794616 0.612523 1 S S101 1 0.336080 0.918853 0.611717 1 S S102 1 0.083486 0.289216 0.610891 1 S S103 1 0.166732 0.414198 0.610650 1 S S104 1 0.249200 0.541600 0.610265 1 S S105 1 0.332807 0.667421 0.610189 1 S S106 1 0.417783 0.793178 0.610958 1 S S107 1 0.500000 0.918484 0.611303 1 S S108 1 0.083698 0.040506 0.610462 1 S S109 1 0.166967 0.165557 0.610786 1 S S110 1 0.250195 0.290703 0.610805 1 S S111 1 0.333051 0.416817 0.610580 1 S S112 1 0.416269 0.542372 0.610257 1 S S113 1 0.500000 0.667493 0.610530 1 S S114 1 0.582218 0.793178 0.610957 1 S S115 1 0.663920 0.918853 0.611716 1 S S116 1 0.251793 0.042754 0.610887 1 S S117 1 0.334026 0.167352 0.611018 1 S S118 1 0.416718 0.292465 0.610648 1 S S119 1 0.500000 0.417435 0.610518 1 S S120 1 0.583731 0.542372 0.610256 1 S S121 1 0.667193 0.667421 0.610188 1 S S122 1 0.745227 0.794616 0.612523 1 S S123 1 0.828042 0.919133 0.612873 1 S S124 1 0.417499 0.043356 0.611196 1 S S125 1 0.500000 0.167981 0.611002 1 S S126 1 0.583282 0.292465 0.610648 1 S S127 1 0.666949 0.416817 0.610579 1 S S128 1 0.750800 0.541600 0.610264 1 S S129 1 0.836019 0.667864 0.607829 1 S S130 1 0.905989 0.797153 0.610705 1 S S131 1 -0.000000 0.913819 0.607933 1 S S132 1 0.582501 0.043356 0.611196 1 S S133 1 0.665974 0.167352 0.611018 1 S S134 1 0.749805 0.290703 0.610804 1 S S135 1 0.833268 0.414198 0.610649 1 S S136 1 0.916938 0.535851 0.612555 1 S S137 1 0.000000 0.655513 0.610396 1 S S138 1 0.748207 0.042754 0.610887 1 S S139 1 0.833033 0.165557 0.610785 1 S S140 1 0.916514 0.289216 0.610891 1 S S141 1 -0.000000 0.412548 0.611552 1 S S142 1 0.916302 0.040506 0.610462 1 S S143 1 -0.000000 0.164775 0.610584 1 Cl Cl144 1 0.000000 0.750218 0.500000 1