# 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 0.091675 0.872929 0.500001 1 W W2 1 0.000001 0.497611 0.500003 1 W W3 1 0.081410 0.622327 0.499998 1 W W4 1 0.176251 0.752306 0.499998 1 W W5 1 0.255045 0.876791 0.499998 1 W W6 1 0.000000 0.248598 0.499999 1 W W7 1 0.083339 0.373410 0.500002 1 W W8 1 0.167325 0.498031 0.500001 1 W W9 1 0.250520 0.624209 0.499998 1 W W10 1 0.339213 0.749819 0.499996 1 W W11 1 0.418283 0.876134 0.499998 1 W W12 1 -0.000000 -0.001950 0.499998 1 W W13 1 0.083396 0.123699 0.499999 1 W W14 1 0.166621 0.248987 0.500001 1 W W15 1 0.250038 0.373957 0.500003 1 W W16 1 0.333430 0.499191 0.500003 1 W W17 1 0.417032 0.624097 0.500001 1 W W18 1 0.499999 0.750014 0.500000 1 W W19 1 0.581715 0.876134 0.499999 1 W W20 1 0.168429 0.000510 0.499998 1 W W21 1 0.250484 0.125222 0.500000 1 W W22 1 0.333432 0.249894 0.500001 1 W W23 1 0.416631 0.374642 0.500002 1 W W24 1 0.500001 0.499238 0.500004 1 W W25 1 0.582968 0.624097 0.500003 1 W W26 1 0.660785 0.749820 0.500002 1 W W27 1 0.744954 0.876791 0.499998 1 W W28 1 0.334864 0.001209 0.499999 1 W W29 1 0.416917 0.125832 0.500001 1 W W30 1 0.500000 0.250323 0.500002 1 W W31 1 0.583369 0.374643 0.500003 1 W W32 1 0.666573 0.499190 0.500005 1 W W33 1 0.749480 0.624209 0.500001 1 W W34 1 0.823748 0.752307 0.499994 1 W W35 1 0.908323 0.872929 0.499994 1 W W36 1 0.499999 0.001368 0.499999 1 W W37 1 0.583082 0.125833 0.500001 1 W W38 1 0.666568 0.249894 0.500002 1 W W39 1 0.749963 0.373957 0.500004 1 W W40 1 0.832678 0.498032 0.500003 1 W W41 1 0.918591 0.622328 0.499997 1 W W42 1 0.665135 0.001210 0.499999 1 W W43 1 0.749515 0.125222 0.499999 1 W W44 1 0.833379 0.248987 0.500001 1 W W45 1 0.916662 0.373410 0.500003 1 W W46 1 0.831569 0.000510 0.499997 1 W W47 1 0.916603 0.123699 0.499998 1 S S48 1 0.108388 0.794288 0.380135 1 S S49 1 0.170908 0.918088 0.388973 1 S S50 1 0.083757 0.538894 0.389468 1 S S51 1 0.166269 0.666164 0.391479 1 S S52 1 0.259938 0.793030 0.389427 1 S S53 1 0.336224 0.918480 0.388388 1 S S54 1 0.083255 0.290263 0.389162 1 S S55 1 0.166734 0.415060 0.389077 1 S S56 1 0.250162 0.540844 0.389320 1 S S57 1 0.334277 0.665770 0.389189 1 S S58 1 0.419452 0.792634 0.388331 1 S S59 1 0.499999 0.918297 0.388672 1 S S60 1 0.083205 0.040113 0.389498 1 S S61 1 0.166536 0.165788 0.389216 1 S S62 1 0.249883 0.290869 0.389161 1 S S63 1 0.333242 0.415998 0.389195 1 S S64 1 0.416785 0.540785 0.389227 1 S S65 1 0.500001 0.665967 0.389205 1 S S66 1 0.580548 0.792633 0.388334 1 S S67 1 0.663775 0.918480 0.388390 1 S S68 1 0.251155 0.042338 0.389061 1 S S69 1 0.333518 0.166982 0.389013 1 S S70 1 0.416632 0.291651 0.389104 1 S S71 1 0.500001 0.416153 0.389161 1 S S72 1 0.583217 0.540786 0.389226 1 S S73 1 0.665723 0.665771 0.389192 1 S S74 1 0.740057 0.793031 0.389428 1 S S75 1 0.829088 0.918090 0.388972 1 S S76 1 0.417258 0.043000 0.388778 1 S S77 1 0.500000 0.167408 0.389012 1 S S78 1 0.583369 0.291651 0.389104 1 S S79 1 0.666759 0.415998 0.389195 1 S S80 1 0.749840 0.540845 0.389320 1 S S81 1 0.833730 0.666163 0.391478 1 S S82 1 0.891603 0.794293 0.380122 1 S S83 1 0.000000 0.913520 0.391117 1 S S84 1 0.582740 0.043000 0.388780 1 S S85 1 0.666481 0.166982 0.389016 1 S S86 1 0.750117 0.290869 0.389162 1 S S87 1 0.833267 0.415059 0.389076 1 S S88 1 0.916247 0.538894 0.389468 1 S S89 1 0.000000 0.662362 0.390507 1 S S90 1 0.748844 0.042338 0.389063 1 S S91 1 0.833464 0.165788 0.389217 1 S S92 1 0.916746 0.290264 0.389162 1 S S93 1 0.000000 0.414772 0.388989 1 S S94 1 0.916794 0.040112 0.389499 1 S S95 1 -0.000000 0.165245 0.389316 1 S S96 1 0.108390 0.794296 0.619878 1 S S97 1 0.170910 0.918089 0.611026 1 S S98 1 0.083753 0.538895 0.610526 1 S S99 1 0.166268 0.666165 0.608516 1 S S100 1 0.259938 0.793031 0.610569 1 S S101 1 0.336223 0.918478 0.611608 1 S S102 1 0.083253 0.290264 0.610834 1 S S103 1 0.166731 0.415059 0.610926 1 S S104 1 0.250160 0.540847 0.610683 1 S S105 1 0.334274 0.665771 0.610811 1 S S106 1 0.419450 0.792633 0.611666 1 S S107 1 0.499999 0.918296 0.611327 1 S S108 1 0.083206 0.040112 0.610501 1 S S109 1 0.166535 0.165788 0.610784 1 S S110 1 0.249882 0.290868 0.610843 1 S S111 1 0.333241 0.415998 0.610813 1 S S112 1 0.416783 0.540787 0.610784 1 S S113 1 0.500000 0.665969 0.610799 1 S S114 1 0.580547 0.792634 0.611668 1 S S115 1 0.663775 0.918479 0.611609 1 S S116 1 0.251154 0.042337 0.610939 1 S S117 1 0.333518 0.166981 0.610988 1 S S118 1 0.416630 0.291651 0.610905 1 S S119 1 0.500000 0.416155 0.610852 1 S S120 1 0.583219 0.540786 0.610785 1 S S121 1 0.665725 0.665771 0.610812 1 S S122 1 0.740064 0.793031 0.610570 1 S S123 1 0.829090 0.918087 0.611025 1 S S124 1 0.417258 0.042999 0.611221 1 S S125 1 0.500000 0.167407 0.610993 1 S S126 1 0.583371 0.291651 0.610905 1 S S127 1 0.666760 0.415998 0.610812 1 S S128 1 0.749842 0.540847 0.610682 1 S S129 1 0.833733 0.666166 0.608515 1 S S130 1 0.891618 0.794292 0.619866 1 S S131 1 -0.000001 0.913514 0.608876 1 S S132 1 0.582741 0.042999 0.611222 1 S S133 1 0.666483 0.166981 0.610990 1 S S134 1 0.750119 0.290869 0.610844 1 S S135 1 0.833270 0.415060 0.610925 1 S S136 1 0.916249 0.538895 0.610527 1 S S137 1 0.000001 0.662363 0.609483 1 S S138 1 0.748845 0.042338 0.610940 1 S S139 1 0.833465 0.165788 0.610785 1 S S140 1 0.916748 0.290263 0.610835 1 S S141 1 0.000001 0.414772 0.611006 1 S S142 1 0.916794 0.040112 0.610502 1 S S143 1 0.000000 0.165246 0.610682 1 Cl Cl144 1 -0.000001 0.796804 0.499956 1