data_[Li6Cu2O6]
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 [P2_1/m]
_cell_length_a [5.4517]
_cell_length_b [2.7914]
_cell_length_c [8.8913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3CuO3]
_chemical_formula_sum '[Li6 Cu2 O6]'
_cell_volume [134.2797]
_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  0.0033  0.2500  0.1056  1
  Li  Li1  2  0.3373  0.7500  0.3988  1
  Li  Li2  2  0.4590  0.7500  0.8893  1
  Cu  Cu3  2  0.1616  0.2500  0.6559  1
  O  O4  2  0.0701  0.2500  0.3301  1
  O  O5  2  0.2445  0.2500  0.9613  1
  O  O6  2  0.3940  0.7500  0.6404  1
]