data_[Si8H4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3401]
_cell_length_b [3.9846]
_cell_length_c [6.6853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2HI]
_chemical_formula_sum '[Si8 H4 I4]'
_cell_volume [431.6088]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.0185  0.5000  0.6765  1.0
  Si  Si1  4  0.0256  0.0000  0.1731  1.0
  H  H2  4  0.1181  0.0000  0.1960  1.0
  I  I3  4  0.1718  0.5000  0.7291  1.0
]