# generated using pymatgen data_Li3CuNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72036300 _cell_length_b 5.76699130 _cell_length_c 5.83804977 _cell_angle_alpha 91.96484896 _cell_angle_beta 118.70171548 _cell_angle_gamma 118.40318876 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CuNi3O8 _chemical_formula_sum 'Li3 Cu1 Ni3 O8' _cell_volume 139.71360549 _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 0.50000000 0.50000000 0.50000000 1.0 Li Li1 1 0.50000000 0.00000000 0.50000000 1.0 Li Li2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni4 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.00000000 1.0 O O7 1 0.53990300 0.28839300 0.77955300 1.0 O O8 1 0.99217000 0.23486700 0.78324400 1.0 O O9 1 0.04075800 0.79063900 0.78266000 1.0 O O10 1 0.46009700 0.71160700 0.22044700 1.0 O O11 1 0.50860100 0.74888400 0.78756100 1.0 O O12 1 0.00783000 0.76513300 0.21675600 1.0 O O13 1 0.95924200 0.20936100 0.21734000 1.0 O O14 1 0.49139900 0.25111600 0.21243900 1.0