# 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 0.084604 0.876224 0.500001 1 W W2 1 -0.000000 0.496419 0.499999 1 W W3 1 0.079002 0.621454 0.500000 1 W W4 1 0.169044 0.754804 0.499998 1 W W5 1 0.251884 0.876623 0.499997 1 W W6 1 -0.000000 0.249062 0.499999 1 W W7 1 0.083500 0.373464 0.499996 1 W W8 1 0.167625 0.498300 0.499997 1 W W9 1 0.248436 0.625898 0.499998 1 W W10 1 0.334477 0.751485 0.499997 1 W W11 1 0.417276 0.876551 0.499995 1 W W12 1 -0.000000 -0.000364 0.500003 1 W W13 1 0.083501 0.124743 0.500002 1 W W14 1 0.167075 0.249537 0.499997 1 W W15 1 0.250410 0.374561 0.499996 1 W W16 1 0.332980 0.500827 0.500000 1 W W17 1 0.416322 0.626046 0.499999 1 W W18 1 0.500000 0.751239 0.499998 1 W W19 1 0.582723 0.876551 0.499994 1 W W20 1 0.168043 0.001072 0.500002 1 W W21 1 0.250636 0.125546 0.499999 1 W W22 1 0.333696 0.250518 0.500000 1 W W23 1 0.416746 0.375894 0.500002 1 W W24 1 0.500000 0.500973 0.500003 1 W W25 1 0.583678 0.626046 0.500001 1 W W26 1 0.665522 0.751486 0.499999 1 W W27 1 0.748115 0.876624 0.499998 1 W W28 1 0.334125 0.001430 0.499998 1 W W29 1 0.417003 0.126160 0.499998 1 W W30 1 0.500000 0.251037 0.500002 1 W W31 1 0.583255 0.375894 0.500004 1 W W32 1 0.667021 0.500827 0.500006 1 W W33 1 0.751565 0.625898 0.500002 1 W W34 1 0.830956 0.754804 0.500001 1 W W35 1 0.915395 0.876224 0.500001 1 W W36 1 0.500000 0.001400 0.499994 1 W W37 1 0.582997 0.126160 0.499997 1 W W38 1 0.666304 0.250517 0.500003 1 W W39 1 0.749591 0.374560 0.500003 1 W W40 1 0.832376 0.498300 0.500003 1 W W41 1 0.920998 0.621454 0.500002 1 W W42 1 0.665874 0.001430 0.499997 1 W W43 1 0.749364 0.125546 0.500000 1 W W44 1 0.832925 0.249537 0.500000 1 W W45 1 0.916500 0.373464 0.499998 1 W W46 1 0.831956 0.001072 0.500001 1 W W47 1 0.916499 0.124743 0.500002 1 S S48 1 0.086786 0.793536 0.391054 1 S S49 1 0.168108 0.918099 0.389349 1 S S50 1 0.083646 0.538225 0.389781 1 S S51 1 0.163457 0.669016 0.392021 1 S S52 1 0.252691 0.793849 0.388411 1 S S53 1 0.334415 0.918334 0.388919 1 S S54 1 0.083511 0.290463 0.389174 1 S S55 1 0.167027 0.415282 0.389155 1 S S56 1 0.249418 0.542504 0.389353 1 S S57 1 0.332357 0.667608 0.389815 1 S S58 1 0.417320 0.793084 0.389103 1 S S59 1 0.500000 0.918216 0.388940 1 S S60 1 0.083529 0.041490 0.389426 1 S S61 1 0.166892 0.166416 0.389228 1 S S62 1 0.250315 0.291472 0.389125 1 S S63 1 0.333309 0.417365 0.389401 1 S S64 1 0.416445 0.542683 0.389498 1 S S65 1 0.500000 0.667660 0.389463 1 S S66 1 0.582681 0.793084 0.389104 1 S S67 1 0.665585 0.918334 0.388924 1 S S68 1 0.250824 0.042626 0.388892 1 S S69 1 0.333704 0.167413 0.389125 1 S S70 1 0.416765 0.292623 0.389245 1 S S71 1 0.500000 0.417714 0.389299 1 S S72 1 0.583556 0.542684 0.389497 1 S S73 1 0.667643 0.667609 0.389815 1 S S74 1 0.747309 0.793850 0.388416 1 S S75 1 0.831891 0.918098 0.389354 1 S S76 1 0.417046 0.043045 0.389038 1 S S77 1 0.500000 0.167899 0.389084 1 S S78 1 0.583235 0.292622 0.389242 1 S S79 1 0.666692 0.417365 0.389400 1 S S80 1 0.750583 0.542505 0.389352 1 S S81 1 0.836543 0.669017 0.392022 1 S S82 1 0.913213 0.793536 0.391058 1 S S83 1 -0.000001 0.916104 0.389700 1 S S84 1 0.582954 0.043044 0.389038 1 S S85 1 0.666296 0.167413 0.389124 1 S S86 1 0.749685 0.291471 0.389122 1 S S87 1 0.832974 0.415283 0.389153 1 S S88 1 0.916354 0.538225 0.389780 1 S S89 1 0.000000 0.650735 0.369494 1 S S90 1 0.749175 0.042625 0.388894 1 S S91 1 0.833109 0.166416 0.389227 1 S S92 1 0.916489 0.290463 0.389172 1 S S93 1 0.000000 0.414099 0.388552 1 S S94 1 0.916470 0.041489 0.389427 1 S S95 1 -0.000000 0.165975 0.389197 1 S S96 1 0.086788 0.793536 0.608939 1 S S97 1 0.168108 0.918097 0.610644 1 S S98 1 0.083646 0.538225 0.610221 1 S S99 1 0.163458 0.669018 0.607976 1 S S100 1 0.252690 0.793849 0.611581 1 S S101 1 0.334413 0.918333 0.611079 1 S S102 1 0.083511 0.290463 0.610827 1 S S103 1 0.167027 0.415282 0.610846 1 S S104 1 0.249418 0.542505 0.610648 1 S S105 1 0.332357 0.667609 0.610181 1 S S106 1 0.417319 0.793083 0.610895 1 S S107 1 0.499999 0.918214 0.611066 1 S S108 1 0.083530 0.041489 0.610572 1 S S109 1 0.166891 0.166417 0.610773 1 S S110 1 0.250315 0.291472 0.610877 1 S S111 1 0.333309 0.417365 0.610601 1 S S112 1 0.416444 0.542686 0.610502 1 S S113 1 0.500000 0.667660 0.610534 1 S S114 1 0.582680 0.793083 0.610897 1 S S115 1 0.665585 0.918333 0.611083 1 S S116 1 0.250824 0.042625 0.611110 1 S S117 1 0.333703 0.167414 0.610880 1 S S118 1 0.416765 0.292622 0.610758 1 S S119 1 0.500000 0.417715 0.610703 1 S S120 1 0.583556 0.542686 0.610502 1 S S121 1 0.667642 0.667609 0.610182 1 S S122 1 0.747309 0.793849 0.611584 1 S S123 1 0.831892 0.918098 0.610649 1 S S124 1 0.417045 0.043044 0.610968 1 S S125 1 0.500000 0.167900 0.610920 1 S S126 1 0.583235 0.292621 0.610758 1 S S127 1 0.666692 0.417364 0.610600 1 S S128 1 0.750583 0.542505 0.610647 1 S S129 1 0.836543 0.669018 0.607978 1 S S130 1 0.913212 0.793536 0.608943 1 S S131 1 0.000001 0.916104 0.610296 1 S S132 1 0.582954 0.043045 0.610969 1 S S133 1 0.666297 0.167414 0.610880 1 S S134 1 0.749685 0.291472 0.610875 1 S S135 1 0.832974 0.415282 0.610845 1 S S136 1 0.916354 0.538226 0.610223 1 S S137 1 0.000000 0.650735 0.630507 1 S S138 1 0.749176 0.042626 0.611112 1 S S139 1 0.833109 0.166417 0.610773 1 S S140 1 0.916488 0.290463 0.610826 1 S S141 1 -0.000000 0.414099 0.611447 1 S S142 1 0.916471 0.041489 0.610573 1 S S143 1 0.000000 0.165976 0.610803 1 S S144 1 0.000000 0.710650 0.500001 1