# generated using pymatgen data_KBa2Bi2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99087617 _cell_length_b 5.99087617 _cell_length_c 7.93585600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000185 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa2Bi2O9 _chemical_formula_sum 'K1 Ba2 Bi2 O9' _cell_volume 246.66361257 _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 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.66666700 0.33333300 0.35707100 1.0 Ba Ba2 1 0.33333300 0.66666700 0.64292900 1.0 Bi Bi3 1 0.33333300 0.66666700 0.15504500 1.0 Bi Bi4 1 0.66666700 0.33333300 0.84495500 1.0 O O5 1 0.50000000 0.00000000 0.00000000 1.0 O O6 1 0.82067400 0.64134800 0.66952700 1.0 O O7 1 0.17932600 0.35865200 0.33047300 1.0 O O8 1 0.82067400 0.17932600 0.66952700 1.0 O O9 1 0.17932600 0.82067400 0.33047300 1.0 O O10 1 0.50000000 0.50000000 0.00000000 1.0 O O11 1 0.64134800 0.82067400 0.33047300 1.0 O O12 1 0.00000000 0.50000000 0.00000000 1.0 O O13 1 0.35865200 0.17932600 0.66952700 1.0