data_[As4H8I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5438]
_cell_length_b [3.6064]
_cell_length_c [12.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AsH2I3]
_chemical_formula_sum '[As4 H8 I12]'
_cell_volume [745.6582]
_cell_formula_units_Z [4]
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  4  0.1073  0.5000  0.4388  1
  H  H1  4  0.0266  0.5000  0.3293  1
  H  H2  4  0.1094  0.0000  0.4611  1
  I  I3  4  0.0467  0.0000  0.9342  1
  I  I4  4  0.1476  0.0000  0.7729  1
  I  I5  4  0.1917  0.5000  0.3172  1
]