data_[V2Cu2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [11.1252]
_cell_length_b [3.1890]
_cell_length_c [4.9359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VCuO3]
_chemical_formula_sum '[V2 Cu2 O6]'
_cell_volume [157.4049]
_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
[
  V  V0  2  0.1149  0.5000  0.6643  1.0
  Cu  Cu1  2  0.4541  0.5000  0.0010  1.0
  O  O2  2  0.0085  0.5000  0.8347  1.0
  O  O3  2  0.0833  0.0000  0.4506  1.0
  O  O4  2  0.2728  0.5000  0.9351  1.0
]