# generated using pymatgen data_KW48S95 _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 KW48S95 _chemical_formula_sum 'K1 W48 S95' _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 K K1 1 0.083329 0.795219 0.275115 1 W W2 1 0.005575 0.749567 0.508127 1 W W3 1 0.083334 0.874488 0.511690 1 W W4 1 0.000046 0.500168 0.501368 1 W W5 1 0.083333 0.625338 0.504920 1 W W6 1 0.161089 0.749570 0.508123 1 W W7 1 0.248154 0.874640 0.504347 1 W W8 1 -0.000014 0.249978 0.499614 1 W W9 1 0.083333 0.375017 0.500290 1 W W10 1 0.166619 0.500168 0.501366 1 W W11 1 0.249153 0.625646 0.501353 1 W W12 1 0.331693 0.750000 0.501024 1 W W13 1 0.416023 0.874715 0.500420 1 W W14 1 0.000345 -0.000379 0.502534 1 W W15 1 0.083334 0.124970 0.500347 1 W W16 1 0.166681 0.249978 0.499614 1 W W17 1 0.249987 0.375044 0.499866 1 W W18 1 0.333032 0.500327 0.499834 1 W W19 1 0.416240 0.625259 0.499408 1 W W20 1 0.499435 0.750136 0.499156 1 W W21 1 0.583334 0.874823 0.499499 1 W W22 1 0.166324 -0.000380 0.502534 1 W W23 1 0.249920 0.124763 0.499951 1 W W24 1 0.333345 0.249949 0.499354 1 W W25 1 0.416638 0.375146 0.499316 1 W W26 1 0.499904 0.500284 0.499130 1 W W27 1 0.583333 0.625294 0.498851 1 W W28 1 0.667231 0.750135 0.499157 1 W W29 1 0.750643 0.874715 0.500421 1 W W30 1 0.332890 -0.000340 0.500914 1 W W31 1 0.416599 0.124768 0.499592 1 W W32 1 0.500016 0.249944 0.499185 1 W W33 1 0.583333 0.375165 0.499111 1 W W34 1 0.666761 0.500283 0.499131 1 W W35 1 0.750426 0.625258 0.499409 1 W W36 1 0.834974 0.749999 0.501025 1 W W37 1 0.918512 0.874640 0.504348 1 W W38 1 0.499845 -0.000311 0.499871 1 W W39 1 0.583334 0.124762 0.499447 1 W W40 1 0.666651 0.249944 0.499185 1 W W41 1 0.750028 0.375146 0.499318 1 W W42 1 0.833633 0.500326 0.499835 1 W W43 1 0.917514 0.625646 0.501355 1 W W44 1 0.666823 -0.000312 0.499871 1 W W45 1 0.750069 0.124768 0.499591 1 W W46 1 0.833322 0.249949 0.499354 1 W W47 1 0.916680 0.375044 0.499867 1 W W48 1 0.833777 -0.000340 0.500914 1 W W49 1 0.916747 0.124764 0.499951 1 S S50 1 0.163684 0.913586 0.394660 1 S S51 1 0.083332 0.542773 0.392012 1 S S52 1 0.163117 0.669158 0.393026 1 S S53 1 0.243290 0.791341 0.394316 1 S S54 1 0.331166 0.915687 0.391508 1 S S55 1 0.083334 0.291834 0.389039 1 S S56 1 0.166493 0.417158 0.389848 1 S S57 1 0.249052 0.542525 0.390129 1 S S58 1 0.331937 0.667172 0.389749 1 S S59 1 0.414788 0.791692 0.389394 1 S S60 1 0.499382 0.916315 0.389268 1 S S61 1 0.083336 0.040867 0.391053 1 S S62 1 0.166592 0.166373 0.389183 1 S S63 1 0.249925 0.291763 0.388844 1 S S64 1 0.333026 0.416980 0.389010 1 S S65 1 0.416142 0.541938 0.388734 1 S S66 1 0.499526 0.666934 0.388407 1 S S67 1 0.583334 0.791667 0.388633 1 S S68 1 0.667286 0.916315 0.389268 1 S S69 1 0.249183 0.040631 0.390300 1 S S70 1 0.333162 0.166325 0.388916 1 S S71 1 0.416616 0.291705 0.388582 1 S S72 1 0.499882 0.416874 0.388491 1 S S73 1 0.583333 0.541899 0.388318 1 S S74 1 0.667141 0.666933 0.388407 1 S S75 1 0.751879 0.791691 0.389395 1 S S76 1 0.835501 0.915686 0.391509 1 S S77 1 0.416067 0.041037 0.389479 1 S S78 1 0.499933 0.166365 0.388708 1 S S79 1 0.583333 0.291698 0.388455 1 S S80 1 0.666784 0.416873 0.388491 1 S S81 1 0.750524 0.541937 0.388735 1 S S82 1 0.834729 0.667171 0.389751 1 S S83 1 0.923377 0.791340 0.394317 1 S S84 1 0.002982 0.913587 0.394662 1 S S85 1 0.583334 0.041200 0.389068 1 S S86 1 0.666735 0.166365 0.388707 1 S S87 1 0.750051 0.291706 0.388582 1 S S88 1 0.833641 0.416978 0.389010 1 S S89 1 0.917614 0.542525 0.390131 1 S S90 1 0.003549 0.669157 0.393027 1 S S91 1 0.750601 0.041036 0.389480 1 S S92 1 0.833506 0.166325 0.388916 1 S S93 1 0.916742 0.291763 0.388844 1 S S94 1 0.000173 0.417159 0.389849 1 S S95 1 0.917484 0.040631 0.390299 1 S S96 1 0.000076 0.166373 0.389184 1 S S97 1 0.083333 0.792316 0.622293 1 S S98 1 0.167464 0.917945 0.617122 1 S S99 1 0.083333 0.540684 0.613399 1 S S100 1 0.167435 0.666549 0.615941 1 S S101 1 0.249088 0.790870 0.614424 1 S S102 1 0.333558 0.916532 0.612234 1 S S103 1 0.083334 0.291462 0.610509 1 S S104 1 0.166842 0.416303 0.611196 1 S S105 1 0.250309 0.541863 0.611484 1 S S106 1 0.333383 0.666779 0.610916 1 S S107 1 0.416154 0.791287 0.610686 1 S S108 1 0.500035 0.916323 0.610502 1 S S109 1 0.083335 0.042343 0.612318 1 S S110 1 0.166795 0.166823 0.610603 1 S S111 1 0.250130 0.291546 0.610277 1 S S112 1 0.333464 0.416763 0.610323 1 S S113 1 0.416710 0.541936 0.610102 1 S S114 1 0.499951 0.666843 0.609681 1 S S115 1 0.583333 0.791404 0.609745 1 S S116 1 0.666632 0.916322 0.610503 1 S S117 1 0.250146 0.042039 0.611742 1 S S118 1 0.333434 0.166696 0.610247 1 S S119 1 0.416776 0.291695 0.609935 1 S S120 1 0.500056 0.416919 0.609861 1 S S121 1 0.583333 0.542043 0.609684 1 S S122 1 0.666715 0.666843 0.609682 1 S S123 1 0.750512 0.791286 0.610686 1 S S124 1 0.833109 0.916532 0.612235 1 S S125 1 0.416758 0.041597 0.610741 1 S S126 1 0.500045 0.166607 0.610057 1 S S127 1 0.583333 0.291755 0.609810 1 S S128 1 0.666609 0.416918 0.609862 1 S S129 1 0.749954 0.541935 0.610103 1 S S130 1 0.833282 0.666778 0.610917 1 S S131 1 0.917576 0.790871 0.614426 1 S S132 1 -0.000798 0.917945 0.617121 1 S S133 1 0.583334 0.041472 0.610383 1 S S134 1 0.666623 0.166607 0.610056 1 S S135 1 0.749891 0.291695 0.609936 1 S S136 1 0.833203 0.416762 0.610324 1 S S137 1 0.916355 0.541864 0.611486 1 S S138 1 -0.000768 0.666546 0.615945 1 S S139 1 0.749909 0.041598 0.610741 1 S S140 1 0.833233 0.166697 0.610247 1 S S141 1 0.916537 0.291546 0.610277 1 S S142 1 -0.000176 0.416303 0.611197 1 S S143 1 0.916522 0.042040 0.611743 1 S S144 1 -0.000127 0.166823 0.610603 1