data_[Li3Cu1Ni3O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7323]
_cell_length_b [5.7831]
_cell_length_c [5.8375]
_cell_angle_alpha [92.1892]
_cell_angle_beta [118.6867]
_cell_angle_gamma [118.4732]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3CuNi3O8]
_chemical_formula_sum '[Li3 Cu1 Ni3 O8]'
_cell_volume [139.9948]
_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  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  1  0.0000  0.5000  0.0000  1.0
  Ni  Ni5  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni6  1  0.5000  0.5000  0.0000  1.0
  O  O7  2  0.0108  0.7685  0.2187  1.0
  O  O8  2  0.0395  0.7899  0.7811  1.0
  O  O9  2  0.4617  0.7138  0.2234  1.0
  O  O10  2  0.4916  0.2534  0.2132  1.0
]