data_[Si4H2I2]
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 [P2_1]
_cell_length_a [3.9766]
_cell_length_b [5.9509]
_cell_length_c [8.9248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Si2HI]
_chemical_formula_sum '[Si4 H2 I2]'
_cell_volume [206.1655]
_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
[
  Si  Si0  2  0.2006  0.9181  0.3982  1
  Si  Si1  2  0.2939  0.6387  0.5905  1
  H  H2  2  0.1247  0.8089  0.2431  1
  I  I3  2  0.4140  0.8559  0.8361  1
]