# generated using pymatgen data_W47CS96 _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 W47CS96 _chemical_formula_sum 'W47 C1 S96' _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 0.084995 0.875628 0.499996 1 W W2 1 0.000000 0.497532 0.500003 1 W W3 1 0.083688 0.620199 0.500001 1 W W4 1 0.166863 0.752816 0.499996 1 W W5 1 0.251770 0.876388 0.499993 1 W W6 1 -0.000000 0.248952 0.500004 1 W W7 1 0.082563 0.373781 0.500003 1 W W8 1 0.166011 0.498739 0.500001 1 W W9 1 0.248417 0.625948 0.499998 1 W W10 1 0.334140 0.751188 0.499994 1 W W11 1 0.417015 0.876456 0.499994 1 W W12 1 0.000000 -0.001165 0.500001 1 W W13 1 0.083753 0.124575 0.500001 1 W W14 1 0.166807 0.249108 0.500000 1 W W15 1 0.250897 0.375130 0.500001 1 W W16 1 0.333072 0.500290 0.500000 1 W W17 1 0.416637 0.625880 0.499998 1 W W18 1 0.500000 0.750878 0.499997 1 W W19 1 0.582984 0.876457 0.500000 1 W W20 1 0.168150 0.000456 0.499995 1 W W21 1 0.250022 0.125469 0.499997 1 W W22 1 0.333472 0.250303 0.500000 1 W W23 1 0.415838 0.376154 0.500002 1 W W24 1 0.500000 0.500879 0.500002 1 W W25 1 0.583363 0.625880 0.500000 1 W W26 1 0.665860 0.751189 0.500000 1 W W27 1 0.748229 0.876388 0.500004 1 W W28 1 0.334118 0.000674 0.499993 1 W W29 1 0.417436 0.126122 0.499999 1 W W30 1 0.500000 0.250379 0.500003 1 W W31 1 0.584162 0.376154 0.500004 1 W W32 1 0.666928 0.500291 0.500004 1 W W33 1 0.751584 0.625948 0.500002 1 W W34 1 0.833141 0.752817 0.500001 1 W W35 1 0.915004 0.875628 0.500002 1 W W36 1 0.500000 0.000906 0.500000 1 W W37 1 0.582565 0.126122 0.500005 1 W W38 1 0.666528 0.250303 0.500007 1 W W39 1 0.749103 0.375130 0.500005 1 W W40 1 0.833988 0.498739 0.500004 1 W W41 1 0.916320 0.620202 0.500002 1 W W42 1 0.665882 0.000674 0.500006 1 W W43 1 0.749978 0.125469 0.500008 1 W W44 1 0.833193 0.249108 0.500008 1 W W45 1 0.917437 0.373781 0.500005 1 W W46 1 0.831849 0.000457 0.500005 1 W W47 1 0.916247 0.124575 0.500005 1 C C48 1 -0.000024 0.711502 0.499999 1 S S49 1 0.086580 0.794063 0.389332 1 S S50 1 0.168255 0.917605 0.389157 1 S S51 1 0.082952 0.538676 0.387748 1 S S52 1 0.164689 0.668428 0.390458 1 S S53 1 0.251192 0.793050 0.389474 1 S S54 1 0.334275 0.917859 0.388638 1 S S55 1 0.083390 0.290478 0.389314 1 S S56 1 0.166556 0.415433 0.389589 1 S S57 1 0.249231 0.542194 0.389877 1 S S58 1 0.332513 0.667276 0.389793 1 S S59 1 0.417068 0.792871 0.389366 1 S S60 1 0.500000 0.917895 0.388996 1 S S61 1 0.083393 0.040990 0.389657 1 S S62 1 0.166685 0.166248 0.389025 1 S S63 1 0.249994 0.291623 0.389576 1 S S64 1 0.333131 0.417451 0.388779 1 S S65 1 0.416436 0.542483 0.389548 1 S S66 1 0.500000 0.667561 0.389374 1 S S67 1 0.582932 0.792871 0.389365 1 S S68 1 0.665726 0.917860 0.388636 1 S S69 1 0.250877 0.042271 0.389194 1 S S70 1 0.333521 0.167129 0.389448 1 S S71 1 0.416765 0.292516 0.389672 1 S S72 1 0.500000 0.417442 0.389715 1 S S73 1 0.583564 0.542483 0.389546 1 S S74 1 0.667488 0.667277 0.389792 1 S S75 1 0.748810 0.793050 0.389472 1 S S76 1 0.831745 0.917605 0.389156 1 S S77 1 0.416971 0.042741 0.389335 1 S S78 1 0.500000 0.167680 0.388795 1 S S79 1 0.583235 0.292516 0.389670 1 S S80 1 0.666869 0.417451 0.388778 1 S S81 1 0.750770 0.542194 0.389875 1 S S82 1 0.835314 0.668429 0.390456 1 S S83 1 0.913420 0.794065 0.389329 1 S S84 1 -0.000000 0.915352 0.390094 1 S S85 1 0.583029 0.042742 0.389334 1 S S86 1 0.666479 0.167129 0.389446 1 S S87 1 0.750006 0.291622 0.389572 1 S S88 1 0.833444 0.415432 0.389585 1 S S89 1 0.917049 0.538677 0.387748 1 S S90 1 0.000003 0.665350 0.395082 1 S S91 1 0.749122 0.042272 0.389190 1 S S92 1 0.833315 0.166248 0.389023 1 S S93 1 0.916610 0.290478 0.389312 1 S S94 1 0.000001 0.414994 0.388331 1 S S95 1 0.916608 0.040990 0.389655 1 S S96 1 -0.000000 0.165730 0.389447 1 S S97 1 0.086581 0.794063 0.610669 1 S S98 1 0.168257 0.917604 0.610842 1 S S99 1 0.082951 0.538676 0.612254 1 S S100 1 0.164689 0.668429 0.609544 1 S S101 1 0.251191 0.793051 0.610528 1 S S102 1 0.334273 0.917859 0.611362 1 S S103 1 0.083390 0.290478 0.610688 1 S S104 1 0.166557 0.415432 0.610414 1 S S105 1 0.249232 0.542194 0.610125 1 S S106 1 0.332512 0.667277 0.610206 1 S S107 1 0.417068 0.792870 0.610636 1 S S108 1 0.500000 0.917895 0.611007 1 S S109 1 0.083393 0.040990 0.610343 1 S S110 1 0.166686 0.166247 0.610976 1 S S111 1 0.249994 0.291622 0.610426 1 S S112 1 0.333131 0.417451 0.611223 1 S S113 1 0.416437 0.542482 0.610453 1 S S114 1 0.500001 0.667561 0.610624 1 S S115 1 0.582932 0.792870 0.610634 1 S S116 1 0.665726 0.917860 0.611361 1 S S117 1 0.250877 0.042271 0.610807 1 S S118 1 0.333520 0.167128 0.610552 1 S S119 1 0.416765 0.292515 0.610328 1 S S120 1 0.500000 0.417442 0.610282 1 S S121 1 0.583564 0.542482 0.610451 1 S S122 1 0.667489 0.667278 0.610205 1 S S123 1 0.748809 0.793051 0.610524 1 S S124 1 0.831744 0.917606 0.610840 1 S S125 1 0.416971 0.042741 0.610664 1 S S126 1 0.500000 0.167681 0.611203 1 S S127 1 0.583235 0.292515 0.610326 1 S S128 1 0.666869 0.417451 0.611220 1 S S129 1 0.750769 0.542194 0.610122 1 S S130 1 0.835312 0.668430 0.609543 1 S S131 1 0.913419 0.794065 0.610669 1 S S132 1 0.000000 0.915351 0.609905 1 S S133 1 0.583029 0.042740 0.610663 1 S S134 1 0.666479 0.167129 0.610549 1 S S135 1 0.750006 0.291622 0.610422 1 S S136 1 0.833443 0.415432 0.610411 1 S S137 1 0.917048 0.538677 0.612249 1 S S138 1 0.000004 0.665349 0.604919 1 S S139 1 0.749122 0.042271 0.610805 1 S S140 1 0.833314 0.166248 0.610974 1 S S141 1 0.916609 0.290477 0.610686 1 S S142 1 -0.000000 0.414995 0.611670 1 S S143 1 0.916607 0.040990 0.610341 1 S S144 1 -0.000000 0.165730 0.610552 1