# generated using pymatgen data_K3Nb8O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32651172 _cell_length_b 9.32651172 _cell_length_c 12.23901200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999803 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Nb8O21 _chemical_formula_sum 'K6 Nb16 O42' _cell_volume 921.96722321 _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 0.40555600 0.40555600 0.75000000 1.0 K K1 1 0.00000000 0.40555600 0.25000000 1.0 K K2 1 0.40555600 0.00000000 0.25000000 1.0 K K3 1 0.59444400 0.00000000 0.75000000 1.0 K K4 1 0.00000000 0.59444400 0.75000000 1.0 K K5 1 0.59444400 0.59444400 0.25000000 1.0 Nb Nb6 1 0.24852600 0.00000000 0.90560700 1.0 Nb Nb7 1 0.00000000 0.24852600 0.90560700 1.0 Nb Nb8 1 0.75147400 0.75147400 0.90560700 1.0 Nb Nb9 1 0.24852600 0.24852600 0.40560700 1.0 Nb Nb10 1 0.75147400 0.75147400 0.59439300 1.0 Nb Nb11 1 0.75147400 0.00000000 0.40560700 1.0 Nb Nb12 1 0.00000000 0.75147400 0.40560700 1.0 Nb Nb13 1 0.00000000 0.75147400 0.09439300 1.0 Nb Nb14 1 0.75147400 0.00000000 0.09439300 1.0 Nb Nb15 1 0.24852600 0.00000000 0.59439300 1.0 Nb Nb16 1 0.00000000 0.24852600 0.59439300 1.0 Nb Nb17 1 0.24852600 0.24852600 0.09439300 1.0 Nb Nb18 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb19 1 0.33333300 0.66666700 0.00000000 1.0 Nb Nb20 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb21 1 0.66666700 0.33333300 0.00000000 1.0 O O22 1 0.79398700 0.79398700 0.75000000 1.0 O O23 1 0.00000000 0.79398700 0.25000000 1.0 O O24 1 0.79398700 0.00000000 0.25000000 1.0 O O25 1 0.20601300 0.00000000 0.75000000 1.0 O O26 1 0.00000000 0.20601300 0.75000000 1.0 O O27 1 0.20601300 0.20601300 0.25000000 1.0 O O28 1 0.20034000 0.20034000 0.92673600 1.0 O O29 1 0.79966000 0.00000000 0.92673600 1.0 O O30 1 0.00000000 0.79966000 0.92673600 1.0 O O31 1 0.00000000 0.20034000 0.42673600 1.0 O O32 1 0.79966000 0.00000000 0.57326400 1.0 O O33 1 0.79966000 0.79966000 0.42673600 1.0 O O34 1 0.20034000 0.00000000 0.42673600 1.0 O O35 1 0.79966000 0.79966000 0.07326400 1.0 O O36 1 0.00000000 0.20034000 0.07326400 1.0 O O37 1 0.48060600 0.31307300 0.40529700 1.0 O O38 1 0.00000000 0.79966000 0.57326400 1.0 O O39 1 0.20034000 0.00000000 0.07326400 1.0 O O40 1 0.51939400 0.83246700 0.09470300 1.0 O O41 1 0.16753300 0.68692700 0.09470300 1.0 O O42 1 0.31307300 0.48060600 0.09470300 1.0 O O43 1 0.68692700 0.51939400 0.59470300 1.0 O O44 1 0.48060600 0.31307300 0.09470300 1.0 O O45 1 0.16753300 0.48060600 0.59470300 1.0 O O46 1 0.31307300 0.83246700 0.59470300 1.0 O O47 1 0.68692700 0.16753300 0.09470300 1.0 O O48 1 0.83246700 0.51939400 0.09470300 1.0 O O49 1 0.16753300 0.68692700 0.40529700 1.0 O O50 1 0.51939400 0.83246700 0.40529700 1.0 O O51 1 0.51939400 0.68692700 0.59470300 1.0 O O52 1 0.31307300 0.48060600 0.40529700 1.0 O O53 1 0.68692700 0.51939400 0.90529700 1.0 O O54 1 0.83246700 0.31307300 0.90529700 1.0 O O55 1 0.48060600 0.16753300 0.90529700 1.0 O O56 1 0.51939400 0.68692700 0.90529700 1.0 O O57 1 0.83246700 0.51939400 0.40529700 1.0 O O58 1 0.68692700 0.16753300 0.40529700 1.0 O O59 1 0.31307300 0.83246700 0.90529700 1.0 O O60 1 0.16753300 0.48060600 0.90529700 1.0 O O61 1 0.83246700 0.31307300 0.59470300 1.0 O O62 1 0.48060600 0.16753300 0.59470300 1.0 O O63 1 0.20034000 0.20034000 0.57326400 1.0