# generated using pymatgen data_Ba3NaIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15828540 _cell_length_b 7.15828540 _cell_length_c 7.15828531 _cell_angle_alpha 91.48784637 _cell_angle_beta 91.48784637 _cell_angle_gamma 91.48784764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NaIrO6 _chemical_formula_sum 'Ba6 Na2 Ir2 O12' _cell_volume 366.42050933 _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 0.75000000 0.39381500 0.10618500 1.0 Ba Ba1 1 0.10618500 0.75000000 0.39381500 1.0 Ba Ba2 1 0.39381500 0.10618500 0.75000000 1.0 Ba Ba3 1 0.25000000 0.60618500 0.89381500 1.0 Ba Ba4 1 0.89381500 0.25000000 0.60618500 1.0 Ba Ba5 1 0.60618500 0.89381500 0.25000000 1.0 Na Na6 1 0.25000000 0.25000000 0.25000000 1.0 Na Na7 1 0.75000000 0.75000000 0.75000000 1.0 Ir Ir8 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir9 1 0.50000000 0.50000000 0.50000000 1.0 O O10 1 0.44876700 0.76639300 0.58178700 1.0 O O11 1 0.58178700 0.44876700 0.76639300 1.0 O O12 1 0.76639300 0.58178700 0.44876700 1.0 O O13 1 0.05123300 0.91821300 0.73360700 1.0 O O14 1 0.73360700 0.05123300 0.91821300 1.0 O O15 1 0.91821300 0.73360700 0.05123300 1.0 O O16 1 0.55123300 0.23360700 0.41821300 1.0 O O17 1 0.41821300 0.55123300 0.23360700 1.0 O O18 1 0.23360700 0.41821300 0.55123300 1.0 O O19 1 0.94876700 0.08178700 0.26639300 1.0 O O20 1 0.08178700 0.26639300 0.94876700 1.0 O O21 1 0.26639300 0.94876700 0.08178700 1.0