data_[Li4V2Cu2O8]
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 [Pmn2_1]
_cell_length_a [6.3699]
_cell_length_b [5.5106]
_cell_length_c [5.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2VCuO4]
_chemical_formula_sum '[Li4 V2 Cu2 O8]'
_cell_volume [181.1672]
_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  4  0.2493  0.6662  0.9967  1
  V  V1  2  0.0000  0.1680  0.0005  1
  Cu  Cu2  2  0.0000  0.8241  0.5018  1
  O  O3  4  0.2260  0.3204  0.8857  1
  O  O4  2  0.0000  0.1806  0.3400  1
  O  O5  2  0.0000  0.8633  0.8927  1
]