# generated using pymatgen data_Li2HfO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38461425 _cell_length_b 5.38461425 _cell_length_c 5.27993046 _cell_angle_alpha 80.04927084 _cell_angle_beta 80.04927084 _cell_angle_gamma 119.82331451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2HfO3 _chemical_formula_sum 'Li4 Hf2 O6' _cell_volume 124.67353544 _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 Li Li0 1 0.15811000 0.84189000 0.00000000 1.0 Li Li1 1 0.84189000 0.15811000 0.00000000 1.0 Li Li2 1 0.50000000 0.50000000 0.00000000 1.0 Li Li3 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf4 1 0.66640800 0.33359200 0.50000000 1.0 Hf Hf5 1 0.33359200 0.66640800 0.50000000 1.0 O O6 1 0.43079200 0.07906200 0.26852400 1.0 O O7 1 0.56920800 0.92093800 0.73147600 1.0 O O8 1 0.07906200 0.43079200 0.26852400 1.0 O O9 1 0.27632600 0.27632600 0.73566900 1.0 O O10 1 0.92093800 0.56920800 0.73147600 1.0 O O11 1 0.72367400 0.72367400 0.26433100 1.0