data_[Li8V2Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.9656]
_cell_length_b [8.5840]
_cell_length_c [5.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4VCuO6]
_chemical_formula_sum '[Li8 V2 Cu2 O12]'
_cell_volume [200.8571]
_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  0.0031  0.5000  1
  Li  Li1  2  0.0000  0.3379  0.5000  1
  Li  Li2  2  0.0000  0.4997  0.0000  1
  Li  Li3  2  0.0000  0.6591  0.5000  1
  V  V4  2  0.0000  0.8322  0.0000  1
  Cu  Cu5  2  0.0000  0.1666  0.0000  1
  O  O6  4  0.2241  0.9937  0.2330  1
  O  O7  4  0.2354  0.8265  0.7717  1
  O  O8  4  0.2441  0.6805  0.2310  1
]