data_[As1H1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  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 [6.3027]
_cell_length_b [6.7765]
_cell_length_c [6.9448]
_cell_angle_alpha [65.1251]
_cell_angle_beta [66.4270]
_cell_angle_gamma [71.0148]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsHCl6]
_chemical_formula_sum '[As1 H1 Cl6]'
_cell_volume [242.1981]
_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
[
  As  As0  1  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.1764  0.2418  0.6804  1.0
  Cl  Cl3  2  0.2527  0.0103  0.1821  1.0
  Cl  Cl4  2  0.2593  0.7196  0.8951  1.0
]