# generated using pymatgen data_NaNi2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00853001 _cell_length_b 3.00912296 _cell_length_c 7.71980015 _cell_angle_alpha 89.98019392 _cell_angle_beta 90.00045949 _cell_angle_gamma 120.00231911 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2O3 _chemical_formula_sum 'Na1 Ni2 O3' _cell_volume 60.52304759 _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 Na Na0 1 0.99998800 0.00000100 0.49985300 1.0 Ni Ni1 1 0.33335200 0.66669300 0.16167800 1.0 Ni Ni2 1 0.66664500 0.33330700 0.83840000 1.0 O O3 1 0.33331100 0.66658500 0.70796000 1.0 O O4 1 0.00001000 0.00000300 0.99999300 1.0 O O5 1 0.66667600 0.33341200 0.29211700 1.0