# 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 0.090108 0.876120 0.500001 1 W W2 1 -0.000000 0.497710 0.500002 1 W W3 1 0.081579 0.621838 0.500002 1 W W4 1 0.173405 0.750523 0.500001 1 W W5 1 0.252678 0.876362 0.500002 1 W W6 1 -0.000000 0.249345 0.500001 1 W W7 1 0.083366 0.373710 0.500000 1 W W8 1 0.167586 0.498310 0.500001 1 W W9 1 0.250128 0.624203 0.500003 1 W W10 1 0.335938 0.749675 0.500005 1 W W11 1 0.417681 0.875229 0.500006 1 W W12 1 -0.000000 0.000002 0.500001 1 W W13 1 0.083439 0.124554 0.499999 1 W W14 1 0.166827 0.249385 0.500000 1 W W15 1 0.250234 0.374259 0.500001 1 W W16 1 0.333399 0.499375 0.500004 1 W W17 1 0.417085 0.624367 0.500008 1 W W18 1 0.500000 0.749531 0.500009 1 W W19 1 0.582319 0.875229 0.500009 1 W W20 1 0.167678 0.000564 0.500000 1 W W21 1 0.250272 0.125434 0.499999 1 W W22 1 0.333436 0.249855 0.500002 1 W W23 1 0.416891 0.374699 0.500005 1 W W24 1 0.500000 0.499453 0.500008 1 W W25 1 0.582915 0.624367 0.500011 1 W W26 1 0.664062 0.749676 0.500008 1 W W27 1 0.747322 0.876362 0.500006 1 W W28 1 0.334205 0.000686 0.500002 1 W W29 1 0.416941 0.125353 0.500003 1 W W30 1 0.500000 0.250211 0.500005 1 W W31 1 0.583109 0.374698 0.500008 1 W W32 1 0.666601 0.499375 0.500010 1 W W33 1 0.749872 0.624203 0.500007 1 W W34 1 0.826595 0.750523 0.500003 1 W W35 1 0.909892 0.876120 0.500002 1 W W36 1 0.500000 0.000597 0.500006 1 W W37 1 0.583059 0.125353 0.500005 1 W W38 1 0.666564 0.249855 0.500007 1 W W39 1 0.749766 0.374259 0.500008 1 W W40 1 0.832414 0.498310 0.500005 1 W W41 1 0.918421 0.621838 0.500003 1 W W42 1 0.665795 0.000686 0.500007 1 W W43 1 0.749728 0.125434 0.500005 1 W W44 1 0.833173 0.249385 0.500004 1 W W45 1 0.916634 0.373710 0.500004 1 W W46 1 0.832322 0.000564 0.500004 1 W W47 1 0.916560 0.124554 0.500002 1 S S48 1 0.097937 0.792949 0.385721 1 S S49 1 0.169994 0.918360 0.388003 1 S S50 1 0.083861 0.538663 0.389182 1 S S51 1 0.166070 0.665723 0.390616 1 S S52 1 0.255345 0.792951 0.388557 1 S S53 1 0.335246 0.917635 0.388802 1 S S54 1 0.083448 0.290656 0.389043 1 S S55 1 0.166849 0.415260 0.389061 1 S S56 1 0.250301 0.540941 0.389052 1 S S57 1 0.333875 0.665916 0.389323 1 S S58 1 0.417969 0.791699 0.388838 1 S S59 1 0.500000 0.917317 0.388879 1 S S60 1 0.083395 0.041322 0.389192 1 S S61 1 0.166634 0.166320 0.389013 1 S S62 1 0.250106 0.291183 0.389071 1 S S63 1 0.333538 0.416109 0.389146 1 S S64 1 0.416732 0.541024 0.389168 1 S S65 1 0.500000 0.666099 0.388935 1 S S66 1 0.582031 0.791699 0.388836 1 S S67 1 0.664754 0.917636 0.388800 1 S S68 1 0.250787 0.042415 0.389141 1 S S69 1 0.333639 0.166813 0.389032 1 S S70 1 0.416634 0.291563 0.389060 1 S S71 1 0.500000 0.416370 0.388975 1 S S72 1 0.583267 0.541024 0.389166 1 S S73 1 0.666125 0.665916 0.389321 1 S S74 1 0.744655 0.792951 0.388555 1 S S75 1 0.830006 0.918360 0.388001 1 S S76 1 0.417028 0.042311 0.388911 1 S S77 1 0.500000 0.167125 0.389037 1 S S78 1 0.583366 0.291563 0.389059 1 S S79 1 0.666462 0.416108 0.389143 1 S S80 1 0.749699 0.540941 0.389049 1 S S81 1 0.833930 0.665724 0.390614 1 S S82 1 0.902063 0.792949 0.385720 1 S S83 1 0.000000 0.915809 0.390433 1 S S84 1 0.582972 0.042311 0.388910 1 S S85 1 0.666361 0.166813 0.389030 1 S S86 1 0.749894 0.291183 0.389068 1 S S87 1 0.833151 0.415260 0.389058 1 S S88 1 0.916139 0.538663 0.389181 1 S S89 1 0.000000 0.661632 0.390030 1 S S90 1 0.749213 0.042415 0.389139 1 S S91 1 0.833366 0.166321 0.389011 1 S S92 1 0.916552 0.290656 0.389042 1 S S93 1 -0.000001 0.414968 0.388865 1 S S94 1 0.916606 0.041322 0.389191 1 S S95 1 0.000000 0.166133 0.389214 1 S S96 1 0.097937 0.792949 0.614279 1 S S97 1 0.169995 0.918360 0.611997 1 S S98 1 0.083861 0.538663 0.610817 1 S S99 1 0.166070 0.665723 0.609383 1 S S100 1 0.255346 0.792951 0.611441 1 S S101 1 0.335247 0.917635 0.611195 1 S S102 1 0.083448 0.290656 0.610957 1 S S103 1 0.166849 0.415260 0.610938 1 S S104 1 0.250302 0.540941 0.610945 1 S S105 1 0.333876 0.665915 0.610672 1 S S106 1 0.417970 0.791699 0.611156 1 S S107 1 0.500000 0.917316 0.611115 1 S S108 1 0.083395 0.041322 0.610809 1 S S109 1 0.166635 0.166321 0.610987 1 S S110 1 0.250106 0.291183 0.610929 1 S S111 1 0.333538 0.416109 0.610850 1 S S112 1 0.416733 0.541024 0.610824 1 S S113 1 0.500000 0.666099 0.611055 1 S S114 1 0.582031 0.791699 0.611155 1 S S115 1 0.664753 0.917635 0.611193 1 S S116 1 0.250787 0.042415 0.610859 1 S S117 1 0.333640 0.166813 0.610967 1 S S118 1 0.416634 0.291563 0.610936 1 S S119 1 0.500000 0.416370 0.611017 1 S S120 1 0.583267 0.541024 0.610822 1 S S121 1 0.666124 0.665915 0.610669 1 S S122 1 0.744655 0.792951 0.611440 1 S S123 1 0.830005 0.918360 0.611996 1 S S124 1 0.417029 0.042311 0.611086 1 S S125 1 0.500000 0.167126 0.610958 1 S S126 1 0.583366 0.291563 0.610934 1 S S127 1 0.666462 0.416109 0.610848 1 S S128 1 0.749698 0.540941 0.610941 1 S S129 1 0.833929 0.665723 0.609381 1 S S130 1 0.902063 0.792950 0.614278 1 S S131 1 -0.000000 0.915809 0.609567 1 S S132 1 0.582972 0.042311 0.611085 1 S S133 1 0.666361 0.166813 0.610965 1 S S134 1 0.749894 0.291183 0.610926 1 S S135 1 0.833150 0.415261 0.610936 1 S S136 1 0.916138 0.538663 0.610815 1 S S137 1 -0.000000 0.661632 0.609968 1 S S138 1 0.749213 0.042415 0.610857 1 S S139 1 0.833365 0.166321 0.610985 1 S S140 1 0.916552 0.290657 0.610955 1 S S141 1 0.000001 0.414968 0.611133 1 S S142 1 0.916605 0.041322 0.610807 1 S S143 1 -0.000000 0.166133 0.610785 1 Cl Cl144 1 0.000000 0.794020 0.500000 1