data_[V4Cu2O12]
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 [C2/m]
_cell_length_a [9.3934]
_cell_length_b [3.5738]
_cell_length_c [6.6622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CuO6]
_chemical_formula_sum '[V4 Cu2 O12]'
_cell_volume [213.7602]
_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  4  0.2047  0.0000  0.1691  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  O  O2  4  0.0438  0.0000  0.2419  1.0
  O  O3  4  0.1503  0.5000  0.6095  1.0
  O  O4  4  0.2010  0.5000  0.0761  1.0
]