data_[Li8Nb2Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0740]
_cell_length_b [8.7916]
_cell_length_c [5.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4NbCuO6]
_chemical_formula_sum '[Li8 Nb2 Cu2 O12]'
_cell_volume [214.8066]
_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  0.0000  0.0145  0.5000  1
  Li  Li1  2  0.0000  0.3346  0.5000  1
  Li  Li2  2  0.0000  0.4994  0.0000  1
  Li  Li3  2  0.0000  0.6541  0.5000  1
  Nb  Nb4  2  0.0000  0.8333  0.0000  1
  Cu  Cu5  2  0.0000  0.1669  0.0000  1
  O  O6  4  0.2308  0.9999  0.2392  1
  O  O7  4  0.2466  0.1737  0.7647  1
  O  O8  4  0.2474  0.8249  0.7637  1
]