# generated using pymatgen data_Ni4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16403900 _cell_length_b 4.16403900 _cell_length_c 4.16403900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4O3 _chemical_formula_sum 'Ni4 O3' _cell_volume 72.20119161 _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 Ni Ni0 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni1 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni2 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.00000000 0.00000000 0.50000000 1.0 O O4 1 0.50000000 0.00000000 0.50000000 1.0 O O5 1 0.00000000 0.50000000 0.50000000 1.0 O O6 1 0.50000000 0.50000000 0.00000000 1.0