# generated using pymatgen data_NaNi3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21747625 _cell_length_b 10.00764619 _cell_length_c 3.00809389 _cell_angle_alpha 97.64635288 _cell_angle_beta 90.81727644 _cell_angle_gamma 86.16548400 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNi3O4 _chemical_formula_sum 'Na2 Ni6 O8' _cell_volume 155.31921191 _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 0.37833400 0.75007300 0.85954200 1.0 Na Na1 1 0.62166600 0.24992700 0.14045800 1.0 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.12431500 0.25062700 0.62960400 1.0 Ni Ni4 1 0.25004200 0.50504900 0.24767700 1.0 Ni Ni5 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni6 1 0.74995800 0.49495100 0.75232300 1.0 Ni Ni7 1 0.87568500 0.74937300 0.37039600 1.0 O O8 1 0.03898700 0.62077600 0.81120900 1.0 O O9 1 0.16404600 0.89063000 0.41228900 1.0 O O10 1 0.28829600 0.11436400 0.05778800 1.0 O O11 1 0.41294800 0.39232700 0.69630700 1.0 O O12 1 0.58705200 0.60767300 0.30369300 1.0 O O13 1 0.83595400 0.10937000 0.58771100 1.0 O O14 1 0.71170400 0.88563600 0.94221200 1.0 O O15 1 0.96101300 0.37922400 0.18879100 1.0