data_[Li5Cu3O6]
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 [P1]
_cell_length_a [4.7517]
_cell_length_b [5.2491]
_cell_length_c [6.5660]
_cell_angle_alpha [67.7261]
_cell_angle_beta [79.8429]
_cell_angle_gamma [83.0768]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li5(CuO2)3]
_chemical_formula_sum '[Li5 Cu3 O6]'
_cell_volume [148.9173]
_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  0.1139  0.1176  0.3036  1.0
  Li  Li1  1  0.2424  0.5757  0.9956  1.0
  Li  Li2  1  0.5674  0.1894  0.3861  1.0
  Li  Li3  1  0.7462  0.4462  0.9778  1.0
  Li  Li4  1  0.9023  0.8763  0.6891  1.0
  Cu  Cu5  1  0.3245  0.1606  0.8378  1.0
  Cu  Cu6  1  0.6770  0.8418  0.1639  1.0
  Cu  Cu7  1  0.9979  0.5019  0.5006  1.0
  O  O8  1  0.0828  0.4992  0.7719  1.0
  O  O9  1  0.1953  0.1537  0.5752  1.0
  O  O10  1  0.4539  0.1930  0.0965  1.0
  O  O11  1  0.5539  0.8182  0.9125  1.0
  O  O12  1  0.8258  0.8646  0.4089  1.0
  O  O13  1  0.8867  0.4812  0.2403  1.0
]