# generated using pymatgen data_Ba3NaIr2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96241041 _cell_length_b 5.96241041 _cell_length_c 14.60820300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NaIr2O9 _chemical_formula_sum 'Ba6 Na2 Ir4 O18' _cell_volume 449.74996679 _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 Ba Ba0 1 0.33333300 0.66666700 0.91612800 1.0 Ba Ba1 1 0.00000000 0.00000000 0.75000000 1.0 Ba Ba2 1 0.66666700 0.33333300 0.41612800 1.0 Ba Ba3 1 0.66666700 0.33333300 0.08387200 1.0 Ba Ba4 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba5 1 0.33333300 0.66666700 0.58387200 1.0 Na Na6 1 0.00000000 0.00000000 0.50000000 1.0 Na Na7 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir8 1 0.33333300 0.66666700 0.33750400 1.0 Ir Ir9 1 0.33333300 0.66666700 0.16249600 1.0 Ir Ir10 1 0.66666700 0.33333300 0.66249600 1.0 Ir Ir11 1 0.66666700 0.33333300 0.83750400 1.0 O O12 1 0.17977300 0.82022700 0.08923700 1.0 O O13 1 0.17977300 0.35954600 0.08923700 1.0 O O14 1 0.64045400 0.82022700 0.08923700 1.0 O O15 1 0.35954600 0.17977300 0.58923700 1.0 O O16 1 0.82022700 0.64045400 0.91076300 1.0 O O17 1 0.82022700 0.17977300 0.58923700 1.0 O O18 1 0.82022700 0.64045400 0.58923700 1.0 O O19 1 0.17977300 0.82022700 0.41076300 1.0 O O20 1 0.64045400 0.82022700 0.41076300 1.0 O O21 1 0.35954600 0.17977300 0.91076300 1.0 O O22 1 0.82022700 0.17977300 0.91076300 1.0 O O23 1 0.17977300 0.35954600 0.41076300 1.0 O O24 1 0.48972800 0.97945700 0.25000000 1.0 O O25 1 0.51027200 0.48972800 0.75000000 1.0 O O26 1 0.97945700 0.48972800 0.75000000 1.0 O O27 1 0.02054300 0.51027200 0.25000000 1.0 O O28 1 0.48972800 0.51027200 0.25000000 1.0 O O29 1 0.51027200 0.02054300 0.75000000 1.0