data_[H8S2I6]
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 [Pmn2_1]
_cell_length_a [6.7020]
_cell_length_b [8.0147]
_cell_length_c [9.3239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [H4SI3]
_chemical_formula_sum '[H8 S2 I6]'
_cell_volume [500.8249]
_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  4  0.1569  0.8749  0.9499  1.0
  H  H1  2  0.0000  0.6301  0.3662  1.0
  H  H2  2  0.0000  0.9486  0.1364  1.0
  S  S3  2  0.0000  0.8128  0.0323  1.0
  I  I4  4  0.2223  0.3644  0.8610  1.0
  I  I5  2  0.0000  0.1218  0.3280  1.0
]