data_[Cs2V2H4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [11.5674]
_cell_length_b [6.9217]
_cell_length_c [9.5007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsV(HCl4)2]
_chemical_formula_sum '[Cs2 V2 H4 Cl16]'
_cell_volume [725.2381]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2260  0.5000  0.7217  1.0
  Cl  Cl3  8  0.0126  0.2324  0.1695  1.0
  Cl  Cl4  4  0.1819  0.5000  0.5755  1.0
  Cl  Cl5  4  0.2073  0.0000  0.0514  1.0
]