data_[V2Cu2Br2Cl12]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5487]
_cell_length_b [10.6731]
_cell_length_c [7.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [VCuBrCl6]
_chemical_formula_sum '[V2 Cu2 Br2 Cl12]'
_cell_volume [531.1625]
_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  0.0000  0.6774  0.0000  1
  Cu  Cu1  2  0.0000  0.3573  0.0000  1
  Br  Br2  2  0.0000  0.8340  0.5000  1
  Cl  Cl3  4  0.1038  0.5234  0.8134  1
  Cl  Cl4  4  0.1342  0.8397  0.8037  1
  Cl  Cl5  4  0.1902  0.2054  0.8518  1
]