# generated using pymatgen data_Li3CuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63940865 _cell_length_b 8.63940865 _cell_length_c 3.55558451 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CuO3 _chemical_formula_sum 'Li12 Cu4 O12' _cell_volume 265.38662984 _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 0.33409388 0.66590612 0.50000000 1.0 Li Li1 1 0.83409388 0.83409388 0.00000000 1.0 Li Li2 1 0.66590612 0.33409388 0.50000000 1.0 Li Li3 1 0.16590612 0.16590612 0.00000000 1.0 Li Li4 1 0.14105892 0.60288873 -0.00000000 1.0 Li Li5 1 0.10288873 0.35894108 0.50000000 1.0 Li Li6 1 0.89711127 0.64105892 0.50000000 1.0 Li Li7 1 0.85894108 0.39711127 0.00000000 1.0 Li Li8 1 0.35894108 0.10288873 0.50000000 1.0 Li Li9 1 0.64105892 0.89711127 0.50000000 1.0 Li Li10 1 0.60288873 0.14105892 -0.00000000 1.0 Li Li11 1 0.39711127 0.85894108 0.00000000 1.0 Cu Cu12 1 0.61378924 0.61378924 0.00000000 1.0 Cu Cu13 1 0.11378924 0.88621076 0.50000000 1.0 Cu Cu14 1 0.88621076 0.11378924 0.50000000 1.0 Cu Cu15 1 0.38621076 0.38621076 -0.00000000 1.0 O O16 1 0.60193436 0.39806564 -0.00000000 1.0 O O17 1 0.89806564 0.89806564 0.50000000 1.0 O O18 1 0.39806564 0.60193436 -0.00000000 1.0 O O19 1 0.10193436 0.10193436 0.50000000 1.0 O O20 1 0.38714400 0.17636398 -0.00000000 1.0 O O21 1 0.67636398 0.11285600 0.50000000 1.0 O O22 1 0.32363602 0.88714400 0.50000000 1.0 O O23 1 0.61285600 0.82363602 0.00000000 1.0 O O24 1 0.11285600 0.67636398 0.50000000 1.0 O O25 1 0.88714400 0.32363602 0.50000000 1.0 O O26 1 0.17636398 0.38714400 0.00000000 1.0 O O27 1 0.82363602 0.61285600 -0.00000000 1.0