data_[H8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.7005]
_cell_length_b [6.9195]
_cell_length_c [8.7930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HCl]
_chemical_formula_sum '[H8 Cl8]'
_cell_volume [407.6843]
_cell_formula_units_Z [8]
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
[
  H  H0  4  0.0768  0.9590  0.6088  1
  H  H1  4  0.2148  0.3671  0.0855  1
  Cl  Cl2  4  0.1852  0.5382  0.0246  1
  Cl  Cl3  4  0.2342  0.9150  0.6914  1
]