# 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 0.091426 0.879170 0.500000 1 W W2 1 0.000000 0.494287 0.500002 1 W W3 1 0.083441 0.616239 0.500000 1 W W4 1 0.174718 0.753928 0.499999 1 W W5 1 0.254661 0.877766 0.499999 1 W W6 1 -0.000000 0.247949 0.500005 1 W W7 1 0.083686 0.371797 0.500004 1 W W8 1 0.167065 0.496261 0.500001 1 W W9 1 0.248974 0.625327 0.499999 1 W W10 1 0.336228 0.751573 0.499998 1 W W11 1 0.418156 0.876679 0.500000 1 W W12 1 0.000000 -0.001214 0.500002 1 W W13 1 0.083630 0.123975 0.500003 1 W W14 1 0.167106 0.248639 0.500004 1 W W15 1 0.250423 0.373525 0.500003 1 W W16 1 0.333074 0.500055 0.500000 1 W W17 1 0.416501 0.625537 0.499998 1 W W18 1 0.500000 0.751144 0.499997 1 W W19 1 0.581844 0.876679 0.500000 1 W W20 1 0.169780 0.001855 0.500001 1 W W21 1 0.251311 0.125738 0.500003 1 W W22 1 0.333904 0.250250 0.500004 1 W W23 1 0.416724 0.375465 0.500004 1 W W24 1 0.500000 0.500486 0.500001 1 W W25 1 0.583499 0.625537 0.499999 1 W W26 1 0.663772 0.751573 0.499999 1 W W27 1 0.745340 0.877766 0.500000 1 W W28 1 0.335252 0.001978 0.500002 1 W W29 1 0.417261 0.126356 0.500005 1 W W30 1 0.500000 0.250998 0.500006 1 W W31 1 0.583277 0.375466 0.500003 1 W W32 1 0.666926 0.500055 0.500001 1 W W33 1 0.751026 0.625327 0.500000 1 W W34 1 0.825283 0.753928 0.500000 1 W W35 1 0.908575 0.879170 0.500000 1 W W36 1 0.500000 0.001752 0.500003 1 W W37 1 0.582740 0.126356 0.500006 1 W W38 1 0.666096 0.250250 0.500006 1 W W39 1 0.749577 0.373525 0.500006 1 W W40 1 0.832935 0.496261 0.500003 1 W W41 1 0.916561 0.616239 0.500000 1 W W42 1 0.664748 0.001978 0.500003 1 W W43 1 0.748690 0.125738 0.500005 1 W W44 1 0.832894 0.248639 0.500006 1 W W45 1 0.916314 0.371798 0.500006 1 W W46 1 0.830220 0.001854 0.500002 1 W W47 1 0.916369 0.123974 0.500005 1 S S48 1 0.094764 0.797384 0.391705 1 S S49 1 0.172478 0.920142 0.387723 1 S S50 1 0.083740 0.534856 0.387843 1 S S51 1 0.164122 0.667720 0.392165 1 S S52 1 0.255988 0.794586 0.387830 1 S S53 1 0.336360 0.919070 0.388412 1 S S54 1 0.083499 0.289187 0.388970 1 S S55 1 0.167078 0.413693 0.388914 1 S S56 1 0.249473 0.541400 0.389665 1 S S57 1 0.333013 0.667142 0.389686 1 S S58 1 0.418213 0.793115 0.388714 1 S S59 1 0.500000 0.918584 0.388646 1 S S60 1 0.083696 0.040861 0.389476 1 S S61 1 0.167013 0.165760 0.389165 1 S S62 1 0.250311 0.290675 0.389033 1 S S63 1 0.333215 0.416691 0.389367 1 S S64 1 0.416438 0.542098 0.389539 1 S S65 1 0.500000 0.667239 0.389533 1 S S66 1 0.581787 0.793115 0.388714 1 S S67 1 0.663640 0.919070 0.388411 1 S S68 1 0.252110 0.043315 0.388671 1 S S69 1 0.334123 0.167515 0.388876 1 S S70 1 0.416807 0.292449 0.389118 1 S S71 1 0.499999 0.417295 0.389305 1 S S72 1 0.583561 0.542098 0.389538 1 S S73 1 0.666987 0.667142 0.389685 1 S S74 1 0.744013 0.794586 0.387830 1 S S75 1 0.827522 0.920141 0.387723 1 S S76 1 0.417568 0.043493 0.388699 1 S S77 1 0.500000 0.168076 0.388919 1 S S78 1 0.583191 0.292448 0.389116 1 S S79 1 0.666785 0.416691 0.389365 1 S S80 1 0.750526 0.541401 0.389664 1 S S81 1 0.835878 0.667720 0.392165 1 S S82 1 0.905235 0.797385 0.391702 1 S S83 1 0.000000 0.914044 0.392003 1 S S84 1 0.582432 0.043493 0.388700 1 S S85 1 0.665877 0.167514 0.388874 1 S S86 1 0.749689 0.290676 0.389030 1 S S87 1 0.832922 0.413693 0.388912 1 S S88 1 0.916260 0.534857 0.387843 1 S S89 1 0.000000 0.655298 0.392613 1 S S90 1 0.747890 0.043315 0.388671 1 S S91 1 0.832987 0.165760 0.389164 1 S S92 1 0.916501 0.289187 0.388969 1 S S93 1 0.000000 0.412171 0.388635 1 S S94 1 0.916304 0.040861 0.389476 1 S S95 1 -0.000000 0.165013 0.389228 1 S S96 1 0.094764 0.797384 0.608295 1 S S97 1 0.172478 0.920142 0.612277 1 S S98 1 0.083739 0.534856 0.612156 1 S S99 1 0.164122 0.667720 0.607835 1 S S100 1 0.255987 0.794586 0.612172 1 S S101 1 0.336360 0.919070 0.611589 1 S S102 1 0.083499 0.289187 0.611026 1 S S103 1 0.167078 0.413692 0.611084 1 S S104 1 0.249473 0.541400 0.610335 1 S S105 1 0.333013 0.667142 0.610316 1 S S106 1 0.418214 0.793115 0.611287 1 S S107 1 0.500000 0.918584 0.611354 1 S S108 1 0.083696 0.040861 0.610522 1 S S109 1 0.167014 0.165760 0.610832 1 S S110 1 0.250311 0.290675 0.610964 1 S S111 1 0.333215 0.416690 0.610632 1 S S112 1 0.416438 0.542098 0.610461 1 S S113 1 0.500000 0.667239 0.610469 1 S S114 1 0.581786 0.793115 0.611286 1 S S115 1 0.663640 0.919070 0.611588 1 S S116 1 0.252109 0.043316 0.611327 1 S S117 1 0.334123 0.167515 0.611120 1 S S118 1 0.416809 0.292448 0.610878 1 S S119 1 0.500000 0.417295 0.610692 1 S S120 1 0.583561 0.542097 0.610460 1 S S121 1 0.666987 0.667142 0.610315 1 S S122 1 0.744014 0.794586 0.612172 1 S S123 1 0.827522 0.920142 0.612277 1 S S124 1 0.417568 0.043493 0.611299 1 S S125 1 0.500000 0.168076 0.611076 1 S S126 1 0.583192 0.292449 0.610877 1 S S127 1 0.666785 0.416690 0.610630 1 S S128 1 0.750527 0.541401 0.610335 1 S S129 1 0.835878 0.667720 0.607835 1 S S130 1 0.905235 0.797385 0.608297 1 S S131 1 0.000000 0.914044 0.607996 1 S S132 1 0.582432 0.043493 0.611298 1 S S133 1 0.665878 0.167515 0.611119 1 S S134 1 0.749689 0.290675 0.610962 1 S S135 1 0.832922 0.413692 0.611082 1 S S136 1 0.916260 0.534856 0.612155 1 S S137 1 0.000000 0.655298 0.607387 1 S S138 1 0.747891 0.043316 0.611327 1 S S139 1 0.832986 0.165760 0.610831 1 S S140 1 0.916500 0.289187 0.611025 1 S S141 1 -0.000000 0.412171 0.611361 1 S S142 1 0.916304 0.040861 0.610521 1 S S143 1 -0.000000 0.165012 0.610769 1 Cl Cl144 1 -0.000001 0.750355 0.500000 1