data_[V8Cu4O16]
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 [10.2707]
_cell_length_b [6.0961]
_cell_length_c [6.0595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CuO4]
_chemical_formula_sum '[V8 Cu4 O16]'
_cell_volume [308.1603]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.0000  1.0
  V  V1  2  0.0000  0.5000  0.0000  1.0
  V  V2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  4  0.1267  0.0000  0.3714  1.0
  O  O4  8  0.0085  0.2820  0.7574  1.0
  O  O5  4  0.2322  0.5000  0.2126  1.0
  O  O6  4  0.2402  0.5000  0.7671  1.0
]