data_[H6I4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4706]
_cell_length_b [6.1837]
_cell_length_c [15.9284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [H3I2Cl]
_chemical_formula_sum '[H6 I4 Cl2]'
_cell_volume [437.1819]
_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
[
  H  H0  2  0.0736  0.2500  0.5281  1
  H  H1  2  0.2896  0.7500  0.8032  1
  H  H2  2  0.4172  0.2500  0.8473  1
  I  I3  2  0.1496  0.2500  0.9084  1
  I  I4  2  0.1644  0.7500  0.4019  1
  Cl  Cl5  2  0.4890  0.7500  0.7511  1
]