# generated using pymatgen data_NaNi2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33809756 _cell_length_b 5.26630637 _cell_length_c 9.00599635 _cell_angle_alpha 89.99738407 _cell_angle_beta 89.99886074 _cell_angle_gamma 69.92472131 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi2O3 _chemical_formula_sum 'Na4 Ni8 O12' _cell_volume 237.79466282 _cell_formula_units_Z 4 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 0.50000200 0.50000500 0.33037900 1.0 Na Na1 1 0.49999400 0.00000900 0.83012800 1.0 Na Na2 1 0.49999800 0.50000200 0.66962000 1.0 Na Na3 1 0.50000100 0.99999700 0.16987100 1.0 Ni Ni4 1 0.49999900 0.99999400 0.50000000 1.0 Ni Ni5 1 0.99998300 0.99999200 0.00000100 1.0 Ni Ni6 1 0.00000900 0.50001100 0.49999900 1.0 Ni Ni7 1 0.50000300 0.50000700 0.99999700 1.0 Ni Ni8 1 0.99997000 0.49996400 0.83531800 1.0 Ni Ni9 1 0.99999400 0.00002300 0.33641200 1.0 Ni Ni10 1 0.00002200 0.50004300 0.16468200 1.0 Ni Ni11 1 0.99999400 0.99997600 0.66358800 1.0 O O12 1 0.24323200 0.28735400 0.00000800 1.0 O O13 1 0.23402600 0.78306000 0.50000700 1.0 O O14 1 0.75676500 0.71265800 0.99999100 1.0 O O15 1 0.76597200 0.21694000 0.49999200 1.0 O O16 1 0.20982500 0.76591000 0.15133600 1.0 O O17 1 0.20883400 0.26031800 0.65107100 1.0 O O18 1 0.20982100 0.76588500 0.84868500 1.0 O O19 1 0.20884600 0.26032400 0.34894000 1.0 O O20 1 0.79017600 0.23408800 0.84866800 1.0 O O21 1 0.79119000 0.73966200 0.34893800 1.0 O O22 1 0.79017300 0.23411900 0.15131600 1.0 O O23 1 0.79117100 0.73965900 0.65105400 1.0