data_[Si2I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7236]
_cell_length_b [9.9944]
_cell_length_c [7.4299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SiICl3]
_chemical_formula_sum '[Si2 I2 Cl6]'
_cell_volume [448.5753]
_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  0.1252  0.7500  0.4044  1.0
  I  I1  2  0.3623  0.7500  0.7630  1.0
  Cl  Cl2  4  0.1835  0.5840  0.2747  1.0
  Cl  Cl3  2  0.2001  0.2500  0.6487  1.0
]