# generated using pymatgen data_KSn2F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39214918 _cell_length_b 7.39214899 _cell_length_c 56.58494959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000090 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSn2F5 _chemical_formula_sum 'K18 Sn36 F90' _cell_volume 2677.76829605 _cell_formula_units_Z 18 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 K0 1 0.33333300 0.66666700 0.05698616 1.0 K K1 1 0.33333300 0.66666700 0.22491546 1.0 K K2 1 0.33333300 0.66666700 0.39233306 1.0 K K3 1 0.33333300 0.66666700 0.55641364 1.0 K K4 1 0.33333300 0.66666700 0.72261700 1.0 K K5 1 0.33333300 0.66666700 0.88941300 1.0 K K6 1 0.66666700 0.33333300 0.06178661 1.0 K K7 1 0.66666700 0.33333300 0.22974441 1.0 K K8 1 0.00000000 0.00000000 0.22318310 1.0 K K9 1 0.66666700 0.33333300 0.39697104 1.0 K K10 1 0.66666700 0.33333300 0.55979501 1.0 K K11 1 0.00000000 0.00000000 0.39047309 1.0 K K12 1 0.00000000 0.00000000 0.55366970 1.0 K K13 1 0.66666700 0.33333300 0.89307920 1.0 K K14 1 0.66666700 0.33333300 0.72528944 1.0 K K15 1 0.00000000 0.00000000 0.05498533 1.0 K K16 1 0.00000000 0.00000000 0.71908411 1.0 K K17 1 0.00000000 0.00000000 0.88608982 1.0 Sn Sn18 1 0.99221913 0.66836528 0.99924784 1.0 Sn Sn19 1 0.99216193 0.66338356 0.16629550 1.0 Sn Sn20 1 0.01927983 0.67845644 0.33386798 1.0 Sn Sn21 1 0.00007578 0.66160919 0.50105054 1.0 Sn Sn22 1 0.00103371 0.66174211 0.66754202 1.0 Sn Sn23 1 0.02229091 0.68276896 0.83264950 1.0 Sn Sn24 1 0.32835561 0.99286132 0.11230952 1.0 Sn Sn25 1 0.32713728 0.99335546 0.27874768 1.0 Sn Sn26 1 0.32827703 0.99394894 0.44608622 1.0 Sn Sn27 1 0.32857397 0.99372614 0.61245140 1.0 Sn Sn28 1 0.32651010 0.99355479 0.77900276 1.0 Sn Sn29 1 0.32744523 0.99352785 0.94586751 1.0 Sn Sn30 1 0.00713868 0.33549429 0.11230952 1.0 Sn Sn31 1 0.00664454 0.33378181 0.27874768 1.0 Sn Sn32 1 0.00605106 0.33432809 0.44608622 1.0 Sn Sn33 1 0.00627386 0.33484783 0.61245140 1.0 Sn Sn34 1 0.00644521 0.33295531 0.77900276 1.0 Sn Sn35 1 0.00647215 0.33391738 0.94586751 1.0 Sn Sn36 1 0.67614616 0.00778087 0.99924784 1.0 Sn Sn37 1 0.67122163 0.00783807 0.16629550 1.0 Sn Sn38 1 0.65917660 0.98072017 0.33386798 1.0 Sn Sn39 1 0.66153342 0.99992422 0.50105054 1.0 Sn Sn40 1 0.66070840 0.99896629 0.66754202 1.0 Sn Sn41 1 0.66047806 0.97770909 0.83264950 1.0 Sn Sn42 1 0.33163472 0.32385384 0.99924784 1.0 Sn Sn43 1 0.33661644 0.32877837 0.16629550 1.0 Sn Sn44 1 0.33839081 0.33846658 0.50105054 1.0 Sn Sn45 1 0.32154356 0.34082340 0.33386798 1.0 Sn Sn46 1 0.33825789 0.33929160 0.66754202 1.0 Sn Sn47 1 0.31723104 0.33952194 0.83264950 1.0 Sn Sn48 1 0.66450571 0.67164439 0.11230952 1.0 Sn Sn49 1 0.66621819 0.67286272 0.27874768 1.0 Sn Sn50 1 0.66567191 0.67172297 0.44608622 1.0 Sn Sn51 1 0.66515217 0.67142603 0.61245140 1.0 Sn Sn52 1 0.66704469 0.67348990 0.77900276 1.0 Sn Sn53 1 0.66608262 0.67255477 0.94586751 1.0 F F54 1 0.21655757 0.99587319 0.00849326 1.0 F F55 1 0.21714016 0.99575941 0.17453014 1.0 F F56 1 0.22596476 0.99675706 0.34124694 1.0 F F57 1 0.22352324 0.00062779 0.67418135 1.0 F F58 1 0.22330373 0.00009253 0.50747481 1.0 F F59 1 0.22546119 0.99843207 0.84276922 1.0 F F60 1 0.30849937 0.97867840 0.07580434 1.0 F F61 1 0.30923004 0.97945685 0.40965255 1.0 F F62 1 0.30981371 0.97967329 0.24217387 1.0 F F63 1 0.30835655 0.98150015 0.74295044 1.0 F F64 1 0.30837157 0.98034986 0.57645122 1.0 F F65 1 0.30694642 0.97945873 0.91003318 1.0 F F66 1 0.02132160 0.32982097 0.07580434 1.0 F F67 1 0.02032671 0.33014042 0.24217387 1.0 F F68 1 0.02054315 0.32977319 0.40965255 1.0 F F69 1 0.01965014 0.32802171 0.57645122 1.0 F F70 1 0.01849985 0.32685640 0.74295044 1.0 F F71 1 0.02054127 0.32748769 0.91003318 1.0 F F72 1 0.00412681 0.22068438 0.00849326 1.0 F F73 1 0.00424059 0.22138075 0.17453014 1.0 F F74 1 0.00324294 0.22920770 0.34124694 1.0 F F75 1 0.99990747 0.22321119 0.50747481 1.0 F F76 1 0.99937221 0.22289545 0.67418135 1.0 F F77 1 0.00156793 0.22702912 0.84276922 1.0 F F78 1 0.33333300 0.66666700 0.10670911 1.0 F F79 1 0.33333300 0.66666700 0.33816370 1.0 F F80 1 0.33333300 0.66666700 0.27298043 1.0 F F81 1 0.33333300 0.66666700 0.50575042 1.0 F F82 1 0.33333300 0.66666700 0.44030323 1.0 F F83 1 0.33333300 0.66666700 0.60720891 1.0 F F84 1 0.33333300 0.66666700 0.67267961 1.0 F F85 1 0.33333300 0.66666700 0.77448287 1.0 F F86 1 0.33333300 0.66666700 0.94159184 1.0 F F87 1 0.33333300 0.66666700 0.83864806 1.0 F F88 1 0.37273346 0.36200152 0.03544243 1.0 F F89 1 0.37150140 0.36044738 0.20223731 1.0 F F90 1 0.35927252 0.35285167 0.53696283 1.0 F F91 1 0.36902686 0.35837707 0.36926880 1.0 F F92 1 0.36901421 0.36013328 0.86903134 1.0 F F93 1 0.35803649 0.35290592 0.70340623 1.0 F F94 1 0.44127895 0.33264090 0.10492116 1.0 F F95 1 0.44332005 0.33274345 0.27095836 1.0 F F96 1 0.44297934 0.33237893 0.60622161 1.0 F F97 1 0.44309928 0.33274442 0.43832745 1.0 F F98 1 0.44306388 0.33319280 0.77300446 1.0 F F99 1 0.44135783 0.33334193 0.93949561 1.0 F F100 1 0.67017903 0.69150063 0.07580434 1.0 F F101 1 0.66985958 0.69018629 0.24217387 1.0 F F102 1 0.67022681 0.69076996 0.40965255 1.0 F F103 1 0.67197829 0.69162843 0.57645122 1.0 F F104 1 0.67314360 0.69164345 0.74295044 1.0 F F105 1 0.67251231 0.69305358 0.91003318 1.0 F F106 1 0.77931562 0.78344243 0.00849326 1.0 F F107 1 0.77861925 0.78285984 0.17453014 1.0 F F108 1 0.77079230 0.77403524 0.34124694 1.0 F F109 1 0.77710455 0.77647676 0.67418135 1.0 F F110 1 0.77678881 0.77669627 0.50747481 1.0 F F111 1 0.77297088 0.77453881 0.84276922 1.0 F F112 1 0.00000000 0.00000000 0.10937088 1.0 F F113 1 0.00000000 0.00000000 0.27446296 1.0 F F114 1 0.66666700 0.33333300 0.50346242 1.0 F F115 1 0.00000000 0.00000000 0.44191802 1.0 F F116 1 0.66666700 0.33333300 0.67044915 1.0 F F117 1 0.00000000 0.00000000 0.60996901 1.0 F F118 1 0.00000000 0.00000000 0.77646079 1.0 F F119 1 0.00000000 0.00000000 0.94425426 1.0 F F120 1 0.66735910 0.10863806 0.10492116 1.0 F F121 1 0.66725655 0.11057661 0.27095836 1.0 F F122 1 0.66725558 0.11035486 0.43832745 1.0 F F123 1 0.66762107 0.11060042 0.60622161 1.0 F F124 1 0.66680720 0.10987108 0.77300446 1.0 F F125 1 0.66665807 0.10801590 0.93949561 1.0 F F126 1 0.89136194 0.55872105 0.10492116 1.0 F F127 1 0.88942339 0.55667995 0.27095836 1.0 F F128 1 0.88964514 0.55690072 0.43832745 1.0 F F129 1 0.88939958 0.55702066 0.60622161 1.0 F F130 1 0.89012892 0.55693612 0.77300446 1.0 F F131 1 0.89198410 0.55864217 0.93949561 1.0 F F132 1 0.63799848 0.01073193 0.03544243 1.0 F F133 1 0.64162293 0.01064979 0.36926880 1.0 F F134 1 0.63955262 0.01105402 0.20223731 1.0 F F135 1 0.64714833 0.00642085 0.53696283 1.0 F F136 1 0.64709408 0.00513057 0.70340623 1.0 F F137 1 0.63986672 0.00888093 0.86903134 1.0 F F138 1 0.98926807 0.62726654 0.03544243 1.0 F F139 1 0.98894598 0.62849860 0.20223731 1.0 F F140 1 0.98935021 0.63097314 0.36926880 1.0 F F141 1 0.99357915 0.64072748 0.53696283 1.0 F F142 1 0.99486943 0.64196351 0.70340623 1.0 F F143 1 0.99111907 0.63098579 0.86903134 1.0