# generated using pymatgen data_Ni2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49241426 _cell_length_b 5.49241426 _cell_length_c 5.98907518 _cell_angle_alpha 61.92976958 _cell_angle_beta 61.92976958 _cell_angle_gamma 60.95794594 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2O3 _chemical_formula_sum 'Ni4 O6' _cell_volume 132.33067275 _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 Ni Ni0 1 0.18181400 0.99493700 0.50007700 1.0 Ni Ni1 1 0.82911400 0.66170100 0.50920600 1.0 Ni Ni2 1 0.99493700 0.18181400 0.00007700 1.0 Ni Ni3 1 0.66170100 0.82911400 0.00920600 1.0 O O4 1 0.28860100 0.09319500 0.12866000 1.0 O O5 1 0.91888900 0.82786400 0.13438300 1.0 O O6 1 0.65729000 0.46331100 0.10267500 1.0 O O7 1 0.09319500 0.28860100 0.62866000 1.0 O O8 1 0.82786400 0.91888900 0.63438300 1.0 O O9 1 0.46331100 0.65729000 0.60267500 1.0