# 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 0.085893 0.875731 0.500003 1 W W2 1 -0.000967 0.497601 0.500000 1 W W3 1 0.083348 0.624738 0.500005 1 W W4 1 0.167158 0.751365 0.500005 1 W W5 1 0.252230 0.876111 0.500005 1 W W6 1 1.000373 0.249037 0.499996 1 W W7 1 0.083451 0.374549 0.500001 1 W W8 1 0.164799 0.500032 0.500005 1 W W9 1 0.248506 0.626035 0.500007 1 W W10 1 0.334857 0.751054 0.500008 1 W W11 1 0.417821 0.875892 0.500007 1 W W12 1 0.001022 -0.000320 0.499999 1 W W13 1 0.084804 0.124668 0.499999 1 W W14 1 0.167220 0.249292 0.500002 1 W W15 1 0.250200 0.376078 0.500005 1 W W16 1 0.332619 0.500349 0.500007 1 W W17 1 0.417548 0.625671 0.500009 1 W W18 1 0.501556 0.750362 0.500008 1 W W19 1 0.584420 0.875717 0.500007 1 W W20 1 0.168526 0.000041 0.500002 1 W W21 1 0.250132 0.125277 0.500002 1 W W22 1 0.333744 0.250567 0.500003 1 W W23 1 0.414371 0.376201 0.500003 1 W W24 1 0.500167 0.500524 0.500004 1 W W25 1 0.584513 0.625588 0.500006 1 W W26 1 0.668029 0.750442 0.500007 1 W W27 1 0.749249 0.876212 0.500005 1 W W28 1 0.334540 0.000249 0.500003 1 W W29 1 0.417957 0.126234 0.500001 1 W W30 1 0.500394 0.249541 0.499998 1 W W31 1 0.585879 0.375496 0.499996 1 W W32 1 0.667130 0.499318 0.499998 1 W W33 1 0.751708 0.624312 0.500001 1 W W34 1 0.842732 0.752647 0.500004 1 W W35 1 0.914865 0.878309 0.500002 1 W W36 1 0.500494 0.000536 0.500004 1 W W37 1 0.582739 0.126171 0.499998 1 W W38 1 0.666469 0.249790 0.499993 1 W W39 1 0.747517 0.373773 0.499992 1 W W40 1 0.833333 0.497496 0.499996 1 W W41 1 0.917894 0.614917 0.500000 1 W W42 1 0.666317 -0.000024 0.500003 1 W W43 1 0.749934 0.125847 0.499995 1 W W44 1 0.833250 0.248734 0.499992 1 W W45 1 0.918042 0.373520 0.499995 1 W W46 1 0.832318 0.001107 0.499999 1 W W47 1 0.916239 0.124855 0.499995 1 C C48 1 0.949359 0.706650 0.500003 1 S S49 1 0.085362 0.793175 0.390068 1 S S50 1 0.168880 0.917219 0.388794 1 S S51 1 0.081559 0.541832 0.388702 1 S S52 1 0.165541 0.668441 0.389587 1 S S53 1 0.251302 0.792575 0.389838 1 S S54 1 0.334962 0.917373 0.388802 1 S S55 1 0.083838 0.290929 0.389541 1 S S56 1 0.166338 0.416883 0.389183 1 S S57 1 0.248734 0.542332 0.389979 1 S S58 1 0.333276 0.667108 0.390030 1 S S59 1 0.418230 0.792320 0.389468 1 S S60 1 0.501021 0.917291 0.389211 1 S S61 1 0.084314 0.041299 0.389412 1 S S62 1 0.167288 0.166495 0.388868 1 S S63 1 0.250069 0.292110 0.389616 1 S S64 1 0.332419 0.417865 0.388331 1 S S65 1 0.416549 0.542270 0.389736 1 S S66 1 0.501116 0.667112 0.389403 1 S S67 1 0.584956 0.792180 0.389360 1 S S68 1 0.666643 0.917136 0.388292 1 S S69 1 0.251325 0.041891 0.389246 1 S S70 1 0.333662 0.167197 0.389511 1 S S71 1 0.417095 0.292465 0.389867 1 S S72 1 0.500207 0.416524 0.390519 1 S S73 1 0.583872 0.541985 0.389624 1 S S74 1 0.668846 0.666860 0.389557 1 S S75 1 0.753474 0.791395 0.391434 1 S S76 1 0.831203 0.918757 0.388722 1 S S77 1 0.417363 0.042584 0.389555 1 S S78 1 0.500264 0.167272 0.388229 1 S S79 1 0.583190 0.291923 0.389338 1 S S80 1 0.666939 0.417144 0.387467 1 S S81 1 0.750593 0.540905 0.389599 1 S S82 1 0.835499 0.665277 0.389106 1 S S83 1 0.912094 0.800836 0.381369 1 S S84 1 0.001321 0.916370 0.390565 1 S S85 1 0.583511 0.042428 0.389475 1 S S86 1 0.666490 0.166990 0.388845 1 S S87 1 0.749956 0.290488 0.388907 1 S S88 1 0.832676 0.413874 0.390101 1 S S89 1 0.916352 0.536247 0.385413 1 S S90 1 -0.003266 0.676150 0.402869 1 S S91 1 0.749114 0.042467 0.389439 1 S S92 1 0.833291 0.166234 0.388733 1 S S93 1 0.916841 0.290394 0.389472 1 S S94 1 0.000584 0.415043 0.388594 1 S S95 1 0.917219 0.041506 0.389424 1 S S96 1 1.000541 0.165721 0.389657 1 S S97 1 0.085360 0.793175 0.609935 1 S S98 1 0.168880 0.917220 0.611208 1 S S99 1 0.081557 0.541831 0.611298 1 S S100 1 0.165540 0.668441 0.610417 1 S S101 1 0.251301 0.792576 0.610166 1 S S102 1 0.334961 0.917374 0.611199 1 S S103 1 0.083835 0.290928 0.610455 1 S S104 1 0.166335 0.416882 0.610817 1 S S105 1 0.248732 0.542331 0.610025 1 S S106 1 0.333275 0.667108 0.609977 1 S S107 1 0.418230 0.792321 0.610537 1 S S108 1 0.501021 0.917293 0.610791 1 S S109 1 0.084312 0.041300 0.610585 1 S S110 1 0.167286 0.166494 0.611131 1 S S111 1 0.250068 0.292110 0.610388 1 S S112 1 0.332420 0.417863 0.611672 1 S S113 1 0.416550 0.542269 0.610271 1 S S114 1 0.501117 0.667112 0.610604 1 S S115 1 0.584957 0.792180 0.610646 1 S S116 1 0.666644 0.917138 0.611711 1 S S117 1 0.251324 0.041891 0.610754 1 S S118 1 0.333663 0.167196 0.610490 1 S S119 1 0.417097 0.292464 0.610134 1 S S120 1 0.500211 0.416522 0.609479 1 S S121 1 0.583875 0.541982 0.610378 1 S S122 1 0.668848 0.666859 0.610447 1 S S123 1 0.753475 0.791396 0.608572 1 S S124 1 0.831204 0.918759 0.611277 1 S S125 1 0.417363 0.042585 0.610444 1 S S126 1 0.500266 0.167273 0.611767 1 S S127 1 0.583193 0.291921 0.610651 1 S S128 1 0.666941 0.417142 0.612521 1 S S129 1 0.750594 0.540902 0.610395 1 S S130 1 0.835499 0.665275 0.610895 1 S S131 1 0.912095 0.800837 0.618634 1 S S132 1 0.001320 0.916372 0.609434 1 S S133 1 0.583511 0.042430 0.610520 1 S S134 1 0.666492 0.166992 0.611143 1 S S135 1 0.749958 0.290488 0.611075 1 S S136 1 0.832674 0.413874 0.609885 1 S S137 1 0.916351 0.536244 0.614579 1 S S138 1 -0.003269 0.676146 0.597136 1 S S139 1 0.749115 0.042472 0.610553 1 S S140 1 0.833291 0.166236 0.611254 1 S S141 1 0.916838 0.290394 0.610515 1 S S142 1 0.000581 0.415042 0.611398 1 S S143 1 0.917220 0.041507 0.610566 1 S S144 1 1.000537 0.165721 0.610334 1