# generated using pymatgen data_LiCuO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81378293 _cell_length_b 6.22507887 _cell_length_c 6.22507822 _cell_angle_alpha 84.61575661 _cell_angle_beta 72.16217267 _cell_angle_gamma 72.16216113 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuO _chemical_formula_sum 'Li4 Cu4 O4' _cell_volume 133.92240304 _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 Li Li0 1 0.24999186 0.14676152 0.85323848 1.0 Li Li1 1 0.24999186 0.85323848 0.14676152 1.0 Li Li2 1 0.89676966 0.85323848 0.85323848 1.0 Li Li3 1 0.60324561 0.14676152 0.14676152 1.0 Cu Cu4 1 0.90906125 0.50000000 0.18187551 1.0 Cu Cu5 1 0.90906125 0.18187551 0.50000000 1.0 Cu Cu6 1 0.59093875 0.81812449 0.50000000 1.0 Cu Cu7 1 0.59093875 0.50000000 0.81812449 1.0 O O8 1 0.74999786 0.18946038 0.81053962 1.0 O O9 1 0.74999786 0.81053962 0.18946038 1.0 O O10 1 0.43946152 0.81053962 0.81053962 1.0 O O11 1 0.06054176 0.18946038 0.18946038 1.0