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 [3.9864]
_cell_length_b [5.9609]
_cell_length_c [8.9370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Si2HI]
_chemical_formula_sum '[Si4 H2 I2]'
_cell_volume [207.2962]
_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  0.5819  0.3982  1.0
  Si  Si1  2  0.2939  0.8614  0.5906  1.0
  H  H2  2  0.1249  0.6908  0.2435  1.0
  I  I3  2  0.4138  0.6444  0.8357  1.0
]