data_[K1V1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P-1]
_cell_length_a [6.5711]
_cell_length_b [6.6975]
_cell_length_c [8.7376]
_cell_angle_alpha [73.0146]
_cell_angle_beta [81.5071]
_cell_angle_gamma [75.3048]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KV(HCl4)2]
_chemical_formula_sum '[K1 V1 H2 Cl8]'
_cell_volume [354.6092]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4142  0.7303  0.7656  1.0
  Cl  Cl3  2  0.0868  0.2200  0.7579  1.0
  Cl  Cl4  2  0.1090  0.2037  0.1253  1.0
  Cl  Cl5  2  0.3334  0.7875  0.9990  1.0
  Cl  Cl6  2  0.4604  0.7054  0.6194  1.0
]