# generated using pymatgen data_Ni2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07205612 _cell_length_b 6.07205612 _cell_length_c 5.44674413 _cell_angle_alpha 79.55120831 _cell_angle_beta 79.55120831 _cell_angle_gamma 46.35784264 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2O5 _chemical_formula_sum 'Ni4 O10' _cell_volume 142.47066497 _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 0.91864800 0.36476800 0.69896100 1.0 Ni Ni1 1 0.63523200 0.08135200 0.80103900 1.0 Ni Ni2 1 0.08135200 0.63523200 0.30103900 1.0 Ni Ni3 1 0.36476800 0.91864800 0.19896100 1.0 O O4 1 0.85658000 0.71995700 0.62164700 1.0 O O5 1 0.28004300 0.14342000 0.87835300 1.0 O O6 1 0.14342000 0.28004300 0.37835300 1.0 O O7 1 0.71995700 0.85658000 0.12164700 1.0 O O8 1 0.01645900 0.98354100 0.25000000 1.0 O O9 1 0.98354100 0.01645900 0.75000000 1.0 O O10 1 0.46497600 0.41870100 0.50281800 1.0 O O11 1 0.58129900 0.53502400 0.99718200 1.0 O O12 1 0.53502400 0.58129900 0.49718200 1.0 O O13 1 0.41870100 0.46497600 0.00281800 1.0