data_[V4Cu2Cl16]
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 [11.3607]
_cell_length_b [9.7829]
_cell_length_c [6.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CuCl8]
_chemical_formula_sum '[V4 Cu2 Cl16]'
_cell_volume [677.5751]
_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  0.1990  0.0000  0.6533  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1046  0.1771  0.7893  1.0
  Cl  Cl3  4  0.1186  0.5000  0.2461  1.0
  Cl  Cl4  4  0.1828  0.0000  0.2953  1.0
]