data_[V8H4Cl24]
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/c]
_cell_length_a [11.9366]
_cell_length_b [10.8080]
_cell_length_c [6.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2HCl6]
_chemical_formula_sum '[V8 H4 Cl24]'
_cell_volume [811.7266]
_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  8  0.2466  0.0898  0.0108  1
  H  H1  4  0.0000  0.0640  0.7500  1
  Cl  Cl2  8  0.1236  0.0805  0.6718  1
  Cl  Cl3  8  0.1328  0.2554  0.1314  1
  Cl  Cl4  8  0.1516  0.4297  0.6651  1
]