data_[H8C2I4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.0326]
_cell_length_b [6.5033]
_cell_length_c [9.3535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [H4CI2Cl]
_chemical_formula_sum '[H8 C2 I4 Cl2]'
_cell_volume [366.9528]
_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  4  0.0000  0.1417  0.0369  1
  H  H1  4  0.1472  0.0000  0.1736  1
  C  C2  2  0.0000  0.0000  0.1001  1
  I  I3  4  0.2500  0.0000  0.5668  1
  Cl  Cl4  2  0.0000  0.5000  0.8412  1
]