data_[Ge2I6Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7565]
_cell_length_b [8.6384]
_cell_length_c [13.9486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GeI3Cl4]
_chemical_formula_sum '[Ge2 I6 Cl8]'
_cell_volume [813.7594]
_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
[
  Ge  Ge0  1  0.0290  0.0000  0.9084  1
  Ge  Ge1  1  0.5275  0.5000  0.0918  1
  I  I2  2  0.4334  0.1725  0.6020  1
  I  I3  2  0.9657  0.3274  0.3969  1
  I  I4  1  0.4968  0.5000  0.6440  1
  I  I5  1  0.8964  0.0000  0.3568  1
  Cl  Cl6  2  0.4356  0.2983  0.1672  1
  Cl  Cl7  2  0.9270  0.2017  0.8334  1
  Cl  Cl8  1  0.3448  0.0000  0.9172  1
  Cl  Cl9  1  0.3943  0.5000  0.9511  1
  Cl  Cl10  1  0.8421  0.5000  0.0821  1
  Cl  Cl11  1  0.9151  0.0000  0.0496  1
]