data_[H8S2I4]
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 [P2_1/m]
_cell_length_a [6.8923]
_cell_length_b [6.6055]
_cell_length_c [10.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [H4SI2]
_chemical_formula_sum '[H8 S2 I4]'
_cell_volume [454.9941]
_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  0.0937  0.1008  0.1982  1
  H  H1  2  0.1334  0.2500  0.4525  1
  H  H2  2  0.1836  0.7500  0.9517  1
  S  S3  2  0.0221  0.7500  0.7590  1
  I  I4  2  0.2504  0.2500  0.6051  1
  I  I5  2  0.2952  0.7500  0.1093  1
]