# generated using pymatgen data_K6Nb11O30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04968900 _cell_length_b 12.84999300 _cell_length_c 12.88427400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K6Nb11O30 _chemical_formula_sum 'K12 Nb22 O60' _cell_volume 1332.72929718 _cell_formula_units_Z 2 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 0.50000000 0.99527700 0.75371600 1.0 K K1 1 0.00000000 0.99907600 0.75557000 1.0 K K2 1 0.50000000 0.32684000 0.92875700 1.0 K K3 1 0.00000000 0.32975600 0.92651500 1.0 K K4 1 0.00000000 0.82684000 0.07124300 1.0 K K5 1 0.50000000 0.82975600 0.07348500 1.0 K K6 1 0.00000000 0.49527700 0.24628400 1.0 K K7 1 0.50000000 0.49907600 0.24443000 1.0 K K8 1 0.50000000 0.17402600 0.41624700 1.0 K K9 1 0.00000000 0.17518700 0.41883100 1.0 K K10 1 0.00000000 0.67402600 0.58375300 1.0 K K11 1 0.50000000 0.67518700 0.58116900 1.0 Nb Nb12 1 0.74022200 0.50946700 0.75728300 1.0 Nb Nb13 1 0.25977800 0.50946700 0.75728300 1.0 Nb Nb14 1 0.74986700 0.79122000 0.83373000 1.0 Nb Nb15 1 0.25013300 0.79122000 0.83373000 1.0 Nb Nb16 1 0.74994800 0.07656000 0.95908800 1.0 Nb Nb17 1 0.25005200 0.07656000 0.95908800 1.0 Nb Nb18 1 0.75005200 0.57656000 0.04091200 1.0 Nb Nb19 1 0.24994800 0.57656000 0.04091200 1.0 Nb Nb20 1 0.75013300 0.29122000 0.16627000 1.0 Nb Nb21 1 0.24986700 0.29122000 0.16627000 1.0 Nb Nb22 1 0.24022200 0.00946700 0.24271700 1.0 Nb Nb23 1 0.75977800 0.00946700 0.24271700 1.0 Nb Nb24 1 0.75806400 0.70453500 0.32426200 1.0 Nb Nb25 1 0.24193600 0.70453500 0.32426200 1.0 Nb Nb26 1 0.50000000 0.88237200 0.36878900 1.0 Nb Nb27 1 0.74124000 0.42147800 0.45425600 1.0 Nb Nb28 1 0.25876000 0.42147800 0.45425600 1.0 Nb Nb29 1 0.75876000 0.92147800 0.54574400 1.0 Nb Nb30 1 0.24124000 0.92147800 0.54574400 1.0 Nb Nb31 1 0.00000000 0.38237200 0.63121100 1.0 Nb Nb32 1 0.74193600 0.20453500 0.67573800 1.0 Nb Nb33 1 0.25806400 0.20453500 0.67573800 1.0 O O34 1 0.50000000 0.49075400 0.74028400 1.0 O O35 1 0.00000000 0.49525900 0.74744400 1.0 O O36 1 0.79626500 0.34701400 0.73857200 1.0 O O37 1 0.20373500 0.34701400 0.73857200 1.0 O O38 1 0.75034600 0.14394700 0.81635500 1.0 O O39 1 0.24965400 0.14394700 0.81635500 1.0 O O40 1 0.50000000 0.79173500 0.82648100 1.0 O O41 1 0.00000000 0.79342600 0.82449800 1.0 O O42 1 0.74979500 0.93138200 0.89030900 1.0 O O43 1 0.25020500 0.93138200 0.89030900 1.0 O O44 1 0.74950500 0.49529800 0.90507900 1.0 O O45 1 0.25049500 0.49529800 0.90507900 1.0 O O46 1 0.75145600 0.71306900 0.96296500 1.0 O O47 1 0.24854400 0.71306900 0.96296500 1.0 O O48 1 0.50000000 0.07733600 0.95524000 1.0 O O49 1 0.00000000 0.07661400 0.95678300 1.0 O O50 1 0.50000000 0.57661400 0.04321700 1.0 O O51 1 0.00000000 0.57733600 0.04476000 1.0 O O52 1 0.74854400 0.21306900 0.03703500 1.0 O O53 1 0.25145600 0.21306900 0.03703500 1.0 O O54 1 0.75049500 0.99529800 0.09492100 1.0 O O55 1 0.24950500 0.99529800 0.09492100 1.0 O O56 1 0.75020500 0.43138200 0.10969100 1.0 O O57 1 0.24979500 0.43138200 0.10969100 1.0 O O58 1 0.00000000 0.29173500 0.17351900 1.0 O O59 1 0.50000000 0.29342600 0.17550200 1.0 O O60 1 0.74965400 0.64394700 0.18364500 1.0 O O61 1 0.25034600 0.64394700 0.18364500 1.0 O O62 1 0.29626500 0.84701400 0.26142800 1.0 O O63 1 0.70373500 0.84701400 0.26142800 1.0 O O64 1 0.00000000 0.99075400 0.25971600 1.0 O O65 1 0.50000000 0.99525900 0.25255600 1.0 O O66 1 0.75074800 0.15524300 0.25600000 1.0 O O67 1 0.24925200 0.15524300 0.25600000 1.0 O O68 1 0.75227600 0.35982300 0.32143200 1.0 O O69 1 0.24772400 0.35982300 0.32143200 1.0 O O70 1 0.00000000 0.71431100 0.32593200 1.0 O O71 1 0.50000000 0.71968700 0.33932300 1.0 O O72 1 0.74760200 0.57018000 0.39521900 1.0 O O73 1 0.25239800 0.57018000 0.39521900 1.0 O O74 1 0.70115300 0.98953300 0.40125600 1.0 O O75 1 0.29884700 0.98953300 0.40125600 1.0 O O76 1 0.73401000 0.79161300 0.45959400 1.0 O O77 1 0.26599000 0.79161300 0.45959400 1.0 O O78 1 0.50000000 0.42532300 0.46689500 1.0 O O79 1 0.00000000 0.41438600 0.47042100 1.0 O O80 1 0.50000000 0.91438600 0.52957900 1.0 O O81 1 0.00000000 0.92532300 0.53310500 1.0 O O82 1 0.76599000 0.29161300 0.54040600 1.0 O O83 1 0.23401000 0.29161300 0.54040600 1.0 O O84 1 0.79884700 0.48953300 0.59874400 1.0 O O85 1 0.20115300 0.48953300 0.59874400 1.0 O O86 1 0.75239800 0.07018000 0.60478100 1.0 O O87 1 0.24760200 0.07018000 0.60478100 1.0 O O88 1 0.50000000 0.21431100 0.67406800 1.0 O O89 1 0.00000000 0.21968700 0.66067700 1.0 O O90 1 0.74772400 0.85982300 0.67856800 1.0 O O91 1 0.25227600 0.85982300 0.67856800 1.0 O O92 1 0.74925200 0.65524300 0.74400000 1.0 O O93 1 0.25074800 0.65524300 0.74400000 1.0