# generated using pymatgen data_NaNi2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18701882 _cell_length_b 5.35856824 _cell_length_c 5.18695177 _cell_angle_alpha 79.27708568 _cell_angle_beta 118.00447448 _cell_angle_gamma 79.27530466 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2O3 _chemical_formula_sum 'Na2 Ni4 O6' _cell_volume 118.69154421 _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 Na Na0 1 0.83173400 0.49999700 0.16826200 1.0 Na Na1 1 0.17126000 0.50000400 0.82873400 1.0 Ni Ni2 1 0.50311900 0.50000400 0.49689900 1.0 Ni Ni3 1 0.66549300 0.99999700 0.33451300 1.0 Ni Ni4 1 0.99888000 0.99999800 0.00111400 1.0 Ni Ni5 1 0.33224300 0.00000700 0.66778400 1.0 O O6 1 0.29917700 0.23494700 0.28663600 1.0 O O7 1 0.71337000 0.76500300 0.70087800 1.0 O O8 1 0.91285100 0.21347700 0.61514900 1.0 O O9 1 0.61466100 0.20742800 0.92756100 1.0 O O10 1 0.07236900 0.79262800 0.38531000 1.0 O O11 1 0.38484500 0.78650900 0.08716000 1.0