data_[V4Cu2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.6877]
_cell_length_b [3.2978]
_cell_length_c [18.5842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CuCl6]
_chemical_formula_sum '[V4 Cu2 Cl12]'
_cell_volume [1329.1923]
_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  0.1354  0.0000  0.5431  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  4  0.0554  0.5000  0.5964  1
  Cl  Cl3  4  0.1297  0.5000  0.4470  1
  Cl  Cl4  4  0.2023  0.5000  0.5947  1
]