# generated using pymatgen data_K3Li5Al6Si10(O5F)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35262600 _cell_length_b 5.45197461 _cell_length_c 32.64016319 _cell_angle_alpha 88.79405426 _cell_angle_beta 87.98662683 _cell_angle_gamma 62.29806561 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Li5Al6Si10(O5F)6 _chemical_formula_sum 'K3 Li5 Al6 Si10 O30 F6' _cell_volume 842.80554051 _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 K0 1 0.63936600 0.58551400 0.29272000 1.0 K K1 1 0.50000000 0.50000000 0.00000000 1.0 K K2 1 0.36063400 0.41448600 0.70728000 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.85627800 0.82613300 0.21237900 1.0 Li Li5 1 0.21967700 0.02591400 0.19544000 1.0 Li Li6 1 0.78032300 0.97408600 0.80456000 1.0 Li Li7 1 0.14372200 0.17386700 0.78762100 1.0 Al Al8 1 0.05388400 0.71466300 0.11878800 1.0 Al Al9 1 0.16151600 0.72057800 0.51126100 1.0 Al Al10 1 0.50080700 0.53471300 0.81702900 1.0 Al Al11 1 0.83848400 0.27942200 0.48873900 1.0 Al Al12 1 0.49919300 0.46528700 0.18297100 1.0 Al Al13 1 0.94611600 0.28533700 0.88121200 1.0 Si Si14 1 0.40764100 0.89071600 0.90964300 1.0 Si Si15 1 0.70273500 0.72694200 0.74296800 1.0 Si Si16 1 0.46219900 0.74276700 0.58655900 1.0 Si Si17 1 0.19296000 0.91621300 0.41342600 1.0 Si Si18 1 0.91401900 0.89794200 0.02967300 1.0 Si Si19 1 0.29726500 0.27305800 0.25703200 1.0 Si Si20 1 0.08598100 0.10205800 0.97032700 1.0 Si Si21 1 0.80704000 0.08378700 0.58657400 1.0 Si Si22 1 0.53780100 0.25723300 0.41344100 1.0 Si Si23 1 0.59235900 0.10928400 0.09035700 1.0 O O24 1 0.03591900 0.57818900 0.03473300 1.0 O O25 1 0.44926600 0.73322200 0.53553200 1.0 O O26 1 0.87028200 0.08990400 0.39680000 1.0 O O27 1 0.67427300 0.84685500 0.12109000 1.0 O O28 1 0.16798000 0.73336000 0.16781100 1.0 O O29 1 0.56239800 0.06831100 0.04007200 1.0 O O30 1 0.51164400 0.80572600 0.78784100 1.0 O O31 1 0.63688300 0.41102500 0.59964800 1.0 O O32 1 0.51299100 0.87000900 0.70313100 1.0 O O33 1 0.14517800 0.94689700 0.46646600 1.0 O O34 1 0.37443400 0.07999000 0.40205900 1.0 O O35 1 0.11315700 0.61047700 0.25759600 1.0 O O36 1 0.95923500 0.01199800 0.07881500 1.0 O O37 1 0.65222500 0.60176700 0.89453100 1.0 O O38 1 0.93832400 0.83433100 0.74954500 1.0 O O39 1 0.62556600 0.92001000 0.59794100 1.0 O O40 1 0.36311700 0.58897500 0.40035200 1.0 O O41 1 0.06167600 0.16566900 0.25045500 1.0 O O42 1 0.34777500 0.39823300 0.10546900 1.0 O O43 1 0.04076500 0.98800200 0.92118500 1.0 O O44 1 0.32572700 0.15314500 0.87891000 1.0 O O45 1 0.12971800 0.91009600 0.60320000 1.0 O O46 1 0.88684300 0.38952300 0.74240400 1.0 O O47 1 0.85482200 0.05310300 0.53353400 1.0 O O48 1 0.48700900 0.12999100 0.29686900 1.0 O O49 1 0.96408100 0.42181100 0.96526700 1.0 O O50 1 0.48835600 0.19427400 0.21215900 1.0 O O51 1 0.43760200 0.93168900 0.95992800 1.0 O O52 1 0.83202000 0.26664000 0.83218900 1.0 O O53 1 0.55073400 0.26677800 0.46446800 1.0 F F54 1 0.16008800 0.41932200 0.53036800 1.0 F F55 1 0.59786100 0.66525800 0.21285200 1.0 F F56 1 0.83991200 0.58067800 0.46963200 1.0 F F57 1 0.19500000 0.69827800 0.84658700 1.0 F F58 1 0.80500000 0.30172200 0.15341300 1.0 F F59 1 0.40213900 0.33474200 0.78714800 1.0