# generated using pymatgen data_MgNi2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73545906 _cell_length_b 5.73545906 _cell_length_c 10.73115600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 140.60706782 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi2O5 _chemical_formula_sum 'Mg2 Ni4 O10' _cell_volume 224.03043548 _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 Mg Mg0 1 0.12117600 0.87882400 0.75000000 1.0 Mg Mg1 1 0.87882400 0.12117600 0.25000000 1.0 Ni Ni2 1 0.75969700 0.24030300 0.59730600 1.0 Ni Ni3 1 0.24030300 0.75969700 0.40269400 1.0 Ni Ni4 1 0.24030300 0.75969700 0.09730600 1.0 Ni Ni5 1 0.75969700 0.24030300 0.90269400 1.0 O O6 1 0.33371400 0.66628600 0.25000000 1.0 O O7 1 0.66628600 0.33371400 0.75000000 1.0 O O8 1 0.77719600 0.22280400 0.08204500 1.0 O O9 1 0.22280400 0.77719600 0.91795500 1.0 O O10 1 0.22280400 0.77719600 0.58204500 1.0 O O11 1 0.77719600 0.22280400 0.41795500 1.0 O O12 1 0.92989300 0.07010700 0.68680500 1.0 O O13 1 0.07010700 0.92989300 0.31319500 1.0 O O14 1 0.92989300 0.07010700 0.81319500 1.0 O O15 1 0.07010700 0.92989300 0.18680500 1.0