data_[V2H4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0576]
_cell_length_b [8.6338]
_cell_length_c [5.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(HCl4)2]
_chemical_formula_sum '[V2 H4 Cl16]'
_cell_volume [636.4366]
_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  0.0000  0.0000  1.0
  H  H1  4  0.2284  0.5000  0.7519  1.0
  Cl  Cl2  8  0.0892  0.1854  0.2051  1.0
  Cl  Cl3  4  0.1214  0.0000  0.7266  1.0
  Cl  Cl4  4  0.1298  0.5000  0.7248  1.0
]