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 [P-1]
_cell_length_a [3.9846]
_cell_length_b [6.6851]
_cell_length_c [8.3974]
_cell_angle_alpha [97.0893]
_cell_angle_beta [102.4253]
_cell_angle_gamma [90.0035]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Si2HI]
_chemical_formula_sum '[Si4 H2 I2]'
_cell_volume [216.6947]
_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  0.0169  0.6763  0.0371  1.0
  Si  Si1  2  0.4769  0.8270  0.9490  1.0
  H  H2  2  0.3939  0.8046  0.7647  1.0
  I  I3  2  0.1556  0.7269  0.3430  1.0
]