# generated using pymatgen data_LiCo2CuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49731906 _cell_length_b 6.49731906 _cell_length_c 5.87478476 _cell_angle_alpha 76.15282658 _cell_angle_beta 76.15282658 _cell_angle_gamma 25.28882713 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2CuO6 _chemical_formula_sum 'Li1 Co2 Cu1 O6' _cell_volume 102.70677397 _cell_formula_units_Z 1 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 0.00000000 0.00000000 0.00000000 1.0 Co Co1 1 0.67289300 0.67289300 0.17239100 1.0 Co Co2 1 0.32710700 0.32710700 0.82760900 1.0 Cu Cu3 1 0.00000000 0.00000000 0.50000000 1.0 O O4 1 0.16453700 0.16453700 0.38023700 1.0 O O5 1 0.47930300 0.47930300 0.74466400 1.0 O O6 1 0.82534700 0.82534700 0.04646500 1.0 O O7 1 0.52069700 0.52069700 0.25533600 1.0 O O8 1 0.83546300 0.83546300 0.61976300 1.0 O O9 1 0.17465300 0.17465300 0.95353500 1.0