# generated using pymatgen data_W47S97 _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 W47S97 _chemical_formula_sum 'W47 S97' _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 0.085387 0.875755 0.499999 1 W W2 1 0.000000 0.498068 0.499997 1 W W3 1 0.073468 0.623310 0.499999 1 W W4 1 0.169557 0.753664 0.499997 1 W W5 1 0.251584 0.876148 0.499994 1 W W6 1 -0.000000 0.248732 0.500004 1 W W7 1 0.083770 0.374329 0.500002 1 W W8 1 0.168975 0.497655 0.500000 1 W W9 1 0.251471 0.625589 0.499997 1 W W10 1 0.334422 0.750961 0.499992 1 W W11 1 0.417611 0.876706 0.499991 1 W W12 1 0.000000 -0.000886 0.500005 1 W W13 1 0.082980 0.124997 0.500008 1 W W14 1 0.166876 0.249866 0.500008 1 W W15 1 0.248987 0.375556 0.500005 1 W W16 1 0.333186 0.500748 0.500001 1 W W17 1 0.416050 0.626466 0.499995 1 W W18 1 0.500000 0.751336 0.499990 1 W W19 1 0.582389 0.876706 0.499993 1 W W20 1 0.168384 0.000209 0.500002 1 W W21 1 0.251034 0.125482 0.500007 1 W W22 1 0.333002 0.249698 0.500009 1 W W23 1 0.417316 0.376428 0.500006 1 W W24 1 0.500000 0.500458 0.500000 1 W W25 1 0.583950 0.626466 0.499995 1 W W26 1 0.665578 0.750961 0.499994 1 W W27 1 0.748416 0.876148 0.499998 1 W W28 1 0.333946 0.001216 0.499998 1 W W29 1 0.415991 0.126238 0.500005 1 W W30 1 0.500000 0.250810 0.500007 1 W W31 1 0.582684 0.376428 0.500003 1 W W32 1 0.666814 0.500748 0.499997 1 W W33 1 0.748529 0.625589 0.499997 1 W W34 1 0.830443 0.753664 0.499999 1 W W35 1 0.914613 0.875755 0.500001 1 W W36 1 0.500000 0.000430 0.499998 1 W W37 1 0.584009 0.126238 0.500004 1 W W38 1 0.666998 0.249698 0.500004 1 W W39 1 0.751013 0.375556 0.499998 1 W W40 1 0.831025 0.497655 0.499997 1 W W41 1 0.926532 0.623310 0.500000 1 W W42 1 0.666054 0.001216 0.500000 1 W W43 1 0.748966 0.125481 0.500005 1 W W44 1 0.833123 0.249867 0.500003 1 W W45 1 0.916230 0.374329 0.499999 1 W W46 1 0.831616 0.000209 0.500003 1 W W47 1 0.917020 0.124997 0.500007 1 S S48 1 0.087516 0.793129 0.390498 1 S S49 1 0.168199 0.917501 0.388903 1 S S50 1 0.084543 0.539477 0.389421 1 S S51 1 0.163388 0.666775 0.393441 1 S S52 1 0.252548 0.793215 0.388380 1 S S53 1 0.334219 0.918004 0.388992 1 S S54 1 0.083275 0.290944 0.389226 1 S S55 1 0.166290 0.415786 0.387760 1 S S56 1 0.250224 0.542504 0.389474 1 S S57 1 0.333269 0.667796 0.388376 1 S S58 1 0.417136 0.793087 0.389349 1 S S59 1 0.500000 0.917887 0.388473 1 S S60 1 0.083612 0.041234 0.389894 1 S S61 1 0.166794 0.166414 0.389542 1 S S62 1 0.249977 0.292007 0.389438 1 S S63 1 0.333211 0.417193 0.389464 1 S S64 1 0.416660 0.542688 0.389610 1 S S65 1 0.500000 0.667698 0.389594 1 S S66 1 0.582864 0.793087 0.389348 1 S S67 1 0.665781 0.918004 0.388990 1 S S68 1 0.250730 0.042374 0.388953 1 S S69 1 0.333334 0.167264 0.388462 1 S S70 1 0.416390 0.292581 0.389887 1 S S71 1 0.500000 0.417792 0.388758 1 S S72 1 0.583340 0.542688 0.389611 1 S S73 1 0.666732 0.667796 0.388376 1 S S74 1 0.747452 0.793215 0.388378 1 S S75 1 0.831801 0.917502 0.388902 1 S S76 1 0.417087 0.042883 0.389369 1 S S77 1 0.500000 0.167494 0.389627 1 S S78 1 0.583610 0.292581 0.389888 1 S S79 1 0.666789 0.417193 0.389465 1 S S80 1 0.749776 0.542504 0.389475 1 S S81 1 0.836612 0.666775 0.393441 1 S S82 1 0.912484 0.793129 0.390497 1 S S83 1 0.000000 0.915311 0.390255 1 S S84 1 0.582913 0.042883 0.389369 1 S S85 1 0.666666 0.167264 0.388463 1 S S86 1 0.750022 0.292007 0.389440 1 S S87 1 0.833709 0.415786 0.387761 1 S S88 1 0.915457 0.539477 0.389421 1 S S89 1 0.000000 0.656205 0.362203 1 S S90 1 0.749270 0.042375 0.388952 1 S S91 1 0.833206 0.166415 0.389544 1 S S92 1 0.916724 0.290944 0.389227 1 S S93 1 -0.000000 0.415527 0.389032 1 S S94 1 0.916389 0.041234 0.389894 1 S S95 1 -0.000000 0.166022 0.388864 1 S S96 1 0.087516 0.793128 0.609502 1 S S97 1 0.168199 0.917501 0.611098 1 S S98 1 0.084544 0.539477 0.610581 1 S S99 1 0.163388 0.666774 0.606559 1 S S100 1 0.252548 0.793214 0.611624 1 S S101 1 0.334219 0.918004 0.611013 1 S S102 1 0.083275 0.290944 0.610773 1 S S103 1 0.166291 0.415786 0.612240 1 S S104 1 0.250224 0.542505 0.610523 1 S S105 1 0.333268 0.667796 0.611625 1 S S106 1 0.417136 0.793087 0.610655 1 S S107 1 0.500000 0.917887 0.611532 1 S S108 1 0.083611 0.041234 0.610105 1 S S109 1 0.166794 0.166414 0.610455 1 S S110 1 0.249978 0.292007 0.610559 1 S S111 1 0.333211 0.417193 0.610533 1 S S112 1 0.416661 0.542688 0.610388 1 S S113 1 0.500000 0.667698 0.610408 1 S S114 1 0.582864 0.793087 0.610654 1 S S115 1 0.665781 0.918003 0.611011 1 S S116 1 0.250730 0.042374 0.611047 1 S S117 1 0.333335 0.167264 0.611534 1 S S118 1 0.416390 0.292582 0.610112 1 S S119 1 0.500000 0.417793 0.611238 1 S S120 1 0.583339 0.542688 0.610388 1 S S121 1 0.666732 0.667796 0.611625 1 S S122 1 0.747452 0.793214 0.611623 1 S S123 1 0.831801 0.917501 0.611097 1 S S124 1 0.417087 0.042884 0.610630 1 S S125 1 0.500000 0.167494 0.610368 1 S S126 1 0.583610 0.292582 0.610112 1 S S127 1 0.666789 0.417193 0.610534 1 S S128 1 0.749776 0.542505 0.610524 1 S S129 1 0.836612 0.666775 0.606558 1 S S130 1 0.912484 0.793129 0.609502 1 S S131 1 -0.000000 0.915311 0.609742 1 S S132 1 0.582913 0.042883 0.610630 1 S S133 1 0.666665 0.167264 0.611535 1 S S134 1 0.750022 0.292007 0.610561 1 S S135 1 0.833709 0.415786 0.612241 1 S S136 1 0.915456 0.539478 0.610580 1 S S137 1 -0.000000 0.656206 0.637796 1 S S138 1 0.749270 0.042374 0.611046 1 S S139 1 0.833207 0.166414 0.610456 1 S S140 1 0.916725 0.290944 0.610774 1 S S141 1 -0.000000 0.415527 0.610970 1 S S142 1 0.916389 0.041234 0.610104 1 S S143 1 0.000000 0.166022 0.611133 1 S S144 1 0.000000 0.709739 0.499999 1