data_[H2S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8174]
_cell_length_b [5.7095]
_cell_length_c [8.4013]
_cell_angle_alpha [100.8990]
_cell_angle_beta [101.3577]
_cell_angle_gamma [109.0487]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HSI]
_chemical_formula_sum '[H2 S2 I2]'
_cell_volume [205.9862]
_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  1  0.7488  0.6518  0.6654  1.0
  H  H1  1  0.9975  0.2195  0.8964  1.0
  S  S2  1  0.5921  0.8112  0.6593  1.0
  S  S3  1  0.9522  0.1596  0.7263  1.0
  I  I4  1  0.7238  0.6792  0.1094  1.0
  I  I5  1  0.7887  0.2655  0.2209  1.0
]