data_[Li6Cu4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.6508]
_cell_length_b [9.4297]
_cell_length_c [4.6818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3(CuO2)2]
_chemical_formula_sum '[Li6 Cu4 O8]'
_cell_volume [197.4226]
_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  2  0.0000  0.0343  0.0000  1.0
  Li  Li1  2  0.0000  0.5365  0.5000  1.0
  Li  Li2  2  0.0000  0.9589  0.5000  1.0
  Cu  Cu3  2  0.0000  0.2553  0.5000  1.0
  Cu  Cu4  2  0.0000  0.7488  0.0000  1.0
  O  O5  4  0.2365  0.8881  0.2697  1.0
  O  O6  4  0.2386  0.1165  0.7349  1.0
]