data_[As2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8725]
_cell_length_b [6.5271]
_cell_length_c [6.9430]
_cell_angle_alpha [83.8162]
_cell_angle_beta [77.6481]
_cell_angle_gamma [76.0894]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AsI]
_chemical_formula_sum '[As2 I2]'
_cell_volume [166.1072]
_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
[
  As  As0  1  0.4115  0.7311  0.1352  1
  As  As1  1  0.7813  0.8558  0.3431  1
  I  I2  1  0.1596  0.0853  0.9371  1
  I  I3  1  0.6664  0.5000  0.5385  1
]