data_[As2S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0047]
_cell_length_b [6.8520]
_cell_length_c [7.8735]
_cell_angle_alpha [75.6823]
_cell_angle_beta [77.0345]
_cell_angle_gamma [86.2372]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsSI]
_chemical_formula_sum '[As2 S2 I2]'
_cell_volume [203.9934]
_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  2  0.2237  0.2923  0.4850  1.0
  S  S1  2  0.2855  0.6268  0.3249  1.0
  I  I2  2  0.0792  0.8238  0.7629  1.0
]