# generated using pymatgen data_LiFeCuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64619500 _cell_length_b 6.26422497 _cell_length_c 6.26420222 _cell_angle_alpha 52.51150668 _cell_angle_beta 63.21170002 _cell_angle_gamma 63.21185975 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFeCuO4 _chemical_formula_sum 'Li2 Fe2 Cu2 O8' _cell_volume 151.98965750 _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 0.10473900 0.14523500 0.14523400 1.0 Li Li1 1 0.89526000 0.85476700 0.85476600 1.0 Fe Fe2 1 0.00000200 0.49997300 0.50001900 1.0 Fe Fe3 1 0.50001600 0.49999400 0.49999000 1.0 Cu Cu4 1 0.50000200 0.00000400 0.49998900 1.0 Cu Cu5 1 0.49998900 0.50001300 0.00000100 1.0 O O6 1 0.25574000 0.27616200 0.27615700 1.0 O O7 1 0.23785700 0.28671000 0.73757300 1.0 O O8 1 0.23785500 0.73757600 0.28670800 1.0 O O9 1 0.69193800 0.27616000 0.27616200 1.0 O O10 1 0.30805800 0.72384400 0.72384100 1.0 O O11 1 0.76214200 0.71329600 0.26242100 1.0 O O12 1 0.76213900 0.26242300 0.71329700 1.0 O O13 1 0.74426200 0.72384100 0.72384100 1.0