# generated using pymatgen data_KSn2F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49260482 _cell_length_b 7.49260521 _cell_length_c 56.56093601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999825 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSn2F5 _chemical_formula_sum 'K18 Sn36 F90' _cell_volume 2749.87469401 _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 0.00000000 0.00000000 0.16806138 1.0 K K1 1 0.00000000 0.00000000 0.33283022 1.0 K K2 1 0.00000000 0.00000000 0.50427122 1.0 K K3 1 0.00000000 0.00000000 0.66653083 1.0 K K4 1 0.00000000 0.00000000 0.99613840 1.0 K K5 1 0.33333300 0.66666700 0.16395167 1.0 K K6 1 0.33333300 0.66666700 0.32868518 1.0 K K7 1 0.33333300 0.66666700 0.50274303 1.0 K K8 1 0.33333300 0.66666700 0.66363531 1.0 K K9 1 0.33333300 0.66666700 0.83032982 1.0 K K10 1 0.33333300 0.66666700 0.99183547 1.0 K K11 1 0.66666700 0.33333300 0.99708870 1.0 K K12 1 0.66666700 0.33333300 0.17065530 1.0 K K13 1 0.66666700 0.33333300 0.50828868 1.0 K K14 1 0.66666700 0.33333300 0.33652880 1.0 K K15 1 0.66666700 0.33333300 0.66965120 1.0 K K16 1 0.66666700 0.33333300 0.83633470 1.0 K K17 1 0.00000000 0.00000000 0.83350640 1.0 Sn Sn18 1 0.34581603 0.99162589 0.05501469 1.0 Sn Sn19 1 0.34884622 -0.00300581 0.22308386 1.0 Sn Sn20 1 0.32705192 0.01165993 0.38927538 1.0 Sn Sn21 1 0.33097686 -0.00196775 0.55625499 1.0 Sn Sn22 1 0.32955408 0.99768037 0.72219446 1.0 Sn Sn23 1 0.33063266 0.99694656 0.88869371 1.0 Sn Sn24 1 0.00837411 0.35419013 0.05501469 1.0 Sn Sn25 1 0.00300581 0.35185203 0.22308386 1.0 Sn Sn26 1 0.98834007 0.31539199 0.38927538 1.0 Sn Sn27 1 0.00196775 0.33294462 0.55625499 1.0 Sn Sn28 1 0.00231963 0.33187371 0.72219446 1.0 Sn Sn29 1 0.00305344 0.33368610 0.88869371 1.0 Sn Sn30 1 0.31350124 0.32470234 0.11076743 1.0 Sn Sn31 1 0.31694888 0.32438785 0.27664551 1.0 Sn Sn32 1 0.31417739 0.32509055 0.44485544 1.0 Sn Sn33 1 0.33342937 0.33040514 0.61131164 1.0 Sn Sn34 1 0.33185280 0.32950324 0.77780185 1.0 Sn Sn35 1 0.33169177 0.32986661 0.94396606 1.0 Sn Sn36 1 0.64580987 0.65418397 0.05501469 1.0 Sn Sn37 1 0.64814797 0.65115378 0.22308386 1.0 Sn Sn38 1 0.68460801 0.67294808 0.38927538 1.0 Sn Sn39 1 0.66812628 0.67044592 0.72219446 1.0 Sn Sn40 1 0.66705538 0.66902314 0.55625499 1.0 Sn Sn41 1 0.66631390 0.66936734 0.88869371 1.0 Sn Sn42 1 0.01120110 0.68649876 0.11076743 1.0 Sn Sn43 1 0.00743896 0.68305112 0.27664551 1.0 Sn Sn44 1 0.01091317 0.68582261 0.44485544 1.0 Sn Sn45 1 0.99697577 0.66657063 0.61131164 1.0 Sn Sn46 1 0.99765044 0.66814720 0.77780185 1.0 Sn Sn47 1 -0.00182516 0.66830823 0.94396606 1.0 Sn Sn48 1 0.67529766 0.98879890 0.11076743 1.0 Sn Sn49 1 0.67561215 0.99256104 0.27664551 1.0 Sn Sn50 1 0.67490945 0.98908683 0.44485544 1.0 Sn Sn51 1 0.66959486 0.00302423 0.61131164 1.0 Sn Sn52 1 0.67049676 0.00234956 0.77780185 1.0 Sn Sn53 1 0.67013339 0.00182516 0.94396606 1.0 F F54 1 0.00000000 0.00000000 0.38478189 1.0 F F55 1 0.00000000 0.00000000 0.71768139 1.0 F F56 1 0.00000000 0.00000000 0.78231670 1.0 F F57 1 0.00000000 0.00000000 0.88481495 1.0 F F58 1 0.31173499 0.97101338 0.01998779 1.0 F F59 1 0.31078427 0.97001170 0.18661118 1.0 F F60 1 0.30998785 0.96880751 0.35308507 1.0 F F61 1 0.31433011 0.97789417 0.51859614 1.0 F F62 1 0.31442056 0.97583910 0.68608831 1.0 F F63 1 0.31477751 0.97568030 0.85254324 1.0 F F64 1 0.02898662 0.34072161 0.01998779 1.0 F F65 1 0.02998830 0.34077257 0.18661118 1.0 F F66 1 0.03119249 0.34118035 0.35308507 1.0 F F67 1 0.02210583 0.33643595 0.51859614 1.0 F F68 1 0.02416090 0.33858146 0.68608831 1.0 F F69 1 0.02431970 0.33909721 0.85254324 1.0 F F70 1 0.32851452 0.88692823 0.28496792 1.0 F F71 1 0.33049212 0.88991924 0.11856587 1.0 F F72 1 0.33056399 0.89259826 0.45002366 1.0 F F73 1 0.33309864 0.88853868 0.61748418 1.0 F F74 1 0.33408613 0.88862517 0.78377510 1.0 F F75 1 0.33410817 0.88969910 0.95264228 1.0 F F76 1 0.11008076 0.44057288 0.11856587 1.0 F F77 1 0.11307177 0.44158629 0.28496792 1.0 F F78 1 0.10740174 0.43796573 0.45002366 1.0 F F79 1 0.11146132 0.44455996 0.61748418 1.0 F F80 1 0.11137483 0.44546097 0.78377510 1.0 F F81 1 0.11030090 0.44440907 0.95264228 1.0 F F82 1 0.00000000 0.00000000 0.11535573 1.0 F F83 1 0.00000000 0.00000000 0.28187939 1.0 F F84 1 0.00000000 0.00000000 0.44736949 1.0 F F85 1 0.00000000 0.00000000 0.55084917 1.0 F F86 1 0.00000000 0.00000000 0.61538605 1.0 F F87 1 0.33333300 0.66666700 0.05474662 1.0 F F88 1 0.33333300 0.66666700 0.22008767 1.0 F F89 1 0.33333300 0.66666700 0.55121014 1.0 F F90 1 0.33333300 0.66666700 0.71995865 1.0 F F91 1 0.33333300 0.66666700 0.88630362 1.0 F F92 1 0.33806979 0.30787236 0.14693218 1.0 F F93 1 0.34218760 0.30996477 0.31315209 1.0 F F94 1 0.34220463 0.31086129 0.47973388 1.0 F F95 1 0.33911169 0.31475789 0.64747078 1.0 F F96 1 0.33852726 0.31437090 0.81390804 1.0 F F97 1 0.33541676 0.31433863 0.98162637 1.0 F F98 1 0.55841371 0.67148548 0.28496792 1.0 F F99 1 0.55942712 0.66950788 0.11856587 1.0 F F100 1 0.56203427 0.66943601 0.45002366 1.0 F F101 1 0.55544004 0.66690136 0.61748418 1.0 F F102 1 0.55453903 0.66591387 0.78377510 1.0 F F103 1 0.55559093 0.66589183 0.95264228 1.0 F F104 1 0.43900202 0.33441607 0.04997741 1.0 F F105 1 0.43932938 0.33128866 0.21361146 1.0 F F106 1 0.44194965 0.33084308 0.38093891 1.0 F F107 1 0.44391824 0.33314251 0.54729701 1.0 F F108 1 0.44545126 0.33407993 0.71621744 1.0 F F109 1 0.44453616 0.33303027 0.88257070 1.0 F F110 1 0.65927839 0.68826501 0.01998779 1.0 F F111 1 0.65881965 0.69001215 0.35308507 1.0 F F112 1 0.65922743 0.68921573 0.18661118 1.0 F F113 1 0.66356405 0.68566989 0.51859614 1.0 F F114 1 0.66141854 0.68557944 0.68608831 1.0 F F115 1 0.66090279 0.68522249 0.85254324 1.0 F F116 1 0.00000000 0.00000000 0.94996819 1.0 F F117 1 0.66666700 0.33333300 0.78003158 1.0 F F118 1 0.66666700 0.33333300 0.61370257 1.0 F F119 1 0.66666700 0.33333300 0.94887378 1.0 F F120 1 0.89541405 0.56099798 0.04997741 1.0 F F121 1 0.89195927 0.56067062 0.21361146 1.0 F F122 1 0.88889343 0.55805035 0.38093891 1.0 F F123 1 0.88862867 0.55454874 0.71621744 1.0 F F124 1 0.88922428 0.55608176 0.54729701 1.0 F F125 1 0.88849410 0.55546384 0.88257070 1.0 F F126 1 0.66558393 0.10458595 0.04997741 1.0 F F127 1 0.66915692 0.11110657 0.38093891 1.0 F F128 1 0.66871134 0.10804073 0.21361146 1.0 F F129 1 0.66685749 0.11077572 0.54729701 1.0 F F130 1 0.66592007 0.11137133 0.71621744 1.0 F F131 1 0.66696973 0.11150590 0.88257070 1.0 F F132 1 0.96980256 0.66193021 0.14693218 1.0 F F133 1 0.96777717 0.65781240 0.31315209 1.0 F F134 1 0.96865665 0.65779537 0.47973388 1.0 F F135 1 0.97564619 0.66088831 0.64747078 1.0 F F136 1 0.97584364 0.66147274 0.81390804 1.0 F F137 1 0.97892187 0.66458324 0.98162637 1.0 F F138 1 0.69212764 0.03019744 0.14693218 1.0 F F139 1 0.69003523 0.03222283 0.31315209 1.0 F F140 1 0.68913871 0.03134335 0.47973388 1.0 F F141 1 0.68524211 0.02435381 0.64747078 1.0 F F142 1 0.68562910 0.02415636 0.81390804 1.0 F F143 1 0.68566137 0.02107813 0.98162637 1.0