data_[Li8Cu4O12]
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/m]
_cell_length_a [5.0248]
_cell_length_b [8.7006]
_cell_length_c [5.0473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CuO3]
_chemical_formula_sum '[Li8 Cu4 O12]'
_cell_volume [207.8557]
_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  0.0000  0.1645  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  4  0.0000  0.3336  0.0000  1.0
  O  O4  8  0.2427  0.3212  0.7724  1.0
  O  O5  4  0.2210  0.5000  0.2342  1.0
]