data_[As4H4I12]
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 [P2_1/c]
_cell_length_a [8.4253]
_cell_length_b [8.8422]
_cell_length_c [11.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsHI3]
_chemical_formula_sum '[As4 H4 I12]'
_cell_volume [826.9544]
_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  0.0453  0.2396  0.5456  1
  H  H1  4  0.4285  0.5250  0.3693  1
  I  I2  4  0.1033  0.1278  0.8389  1
  I  I3  4  0.2098  0.5977  0.0045  1
  I  I4  4  0.4278  0.1194  0.1906  1
]