# generated using pymatgen data_Li3Cu(NiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36560357 _cell_length_b 6.36560357 _cell_length_c 5.87514440 _cell_angle_alpha 75.88651548 _cell_angle_beta 75.88651548 _cell_angle_gamma 26.67243492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Cu(NiO3)2 _chemical_formula_sum 'Li3 Cu1 Ni2 O6' _cell_volume 103.45530068 _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 0.16838700 0.16838700 0.16407600 1.0 Li Li2 1 0.83161300 0.83161300 0.83592400 1.0 Cu Cu3 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni4 1 0.16807700 0.16807700 0.66813300 1.0 Ni Ni5 1 0.83192300 0.83192300 0.33186700 1.0 O O6 1 0.66247100 0.66247100 0.90455300 1.0 O O7 1 0.32480100 0.32480100 0.57651000 1.0 O O8 1 0.33752900 0.33752900 0.09544700 1.0 O O9 1 0.98924000 0.98924000 0.24360700 1.0 O O10 1 0.01076000 0.01076000 0.75639300 1.0 O O11 1 0.67519900 0.67519900 0.42349000 1.0