# generated using pymatgen data_LiZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43223900 _cell_length_b 5.43223900 _cell_length_c 5.43223900 _cell_angle_alpha 132.74119159 _cell_angle_beta 132.74119159 _cell_angle_gamma 69.06088453 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZrO2 _chemical_formula_sum 'Li2 Zr2 O4' _cell_volume 84.86503443 _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 0.50000000 0.50000000 0.00000000 1.0 Li Li1 1 0.25000000 0.75000000 0.50000000 1.0 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr3 1 0.75000000 0.25000000 0.50000000 1.0 O O4 1 0.25599800 0.25599800 0.00000000 1.0 O O5 1 0.74400200 0.74400200 0.00000000 1.0 O O6 1 0.49400200 0.99400200 0.50000000 1.0 O O7 1 0.00599800 0.50599800 0.50000000 1.0