data_[Li4Cu8O8]
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 [Pnma]
_cell_length_a [5.7137]
_cell_length_b [2.8765]
_cell_length_c [12.5817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li(CuO)2]
_chemical_formula_sum '[Li4 Cu8 O8]'
_cell_volume [206.7909]
_cell_formula_units_Z [4]
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  4  0.1333  0.2500  0.4281  1.0
  Cu  Cu1  4  0.1204  0.2500  0.7423  1.0
  Cu  Cu2  4  0.1240  0.2500  0.1001  1.0
  O  O3  4  0.1153  0.2500  0.8903  1.0
  O  O4  4  0.1330  0.2500  0.5928  1.0
]