# generated using pymatgen data_Ni2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90275800 _cell_length_b 5.06564984 _cell_length_c 14.57660900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.64936184 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2O3 _chemical_formula_sum 'Ni8 O12' _cell_volume 205.35368662 _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 Ni Ni0 1 0.86335500 0.72671200 0.04674700 1.0 Ni Ni1 1 0.13664300 0.27328700 0.95325300 1.0 Ni Ni2 1 0.86335500 0.72671200 0.45325300 1.0 Ni Ni3 1 0.13664300 0.27328700 0.54674700 1.0 Ni Ni4 1 0.40602200 0.81204300 0.63537400 1.0 Ni Ni5 1 0.59397800 0.18795700 0.36462700 1.0 Ni Ni6 1 0.59397800 0.18795700 0.13537300 1.0 Ni Ni7 1 0.40602200 0.81204300 0.86462600 1.0 O O8 1 0.49999900 0.00000000 0.50000000 1.0 O O9 1 0.49999900 0.00000000 0.00000000 1.0 O O10 1 0.03174600 0.06349300 0.84338400 1.0 O O11 1 0.96825400 0.93650700 0.15661700 1.0 O O12 1 0.96825400 0.93650700 0.34338300 1.0 O O13 1 0.03174600 0.06349300 0.65661700 1.0 O O14 1 0.78026900 0.56054000 0.92261800 1.0 O O15 1 0.21973000 0.43946100 0.07738200 1.0 O O16 1 0.21973000 0.43946100 0.42261800 1.0 O O17 1 0.78026900 0.56054000 0.57738200 1.0 O O18 1 0.32528800 0.65057600 0.75000000 1.0 O O19 1 0.67471000 0.34942300 0.25000000 1.0