data_[Li5Cu1O4]
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 [P-1]
_cell_length_a [3.4562]
_cell_length_b [4.8993]
_cell_length_c [5.5578]
_cell_angle_alpha [90.1892]
_cell_angle_beta [104.1873]
_cell_angle_gamma [95.8014]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li5CuO4]
_chemical_formula_sum '[Li5 Cu1 O4]'
_cell_volume [90.7346]
_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  2  0.3001  0.5149  0.1400  1.0
  Li  Li1  2  0.3074  0.0058  0.6429  1.0
  Li  Li2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  1  0.0000  0.5000  0.5000  1.0
  O  O4  2  0.1569  0.8053  0.3303  1.0
  O  O5  2  0.2170  0.6815  0.8150  1.0
]