data_[Cd2Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6026]
_cell_length_b [4.3188]
_cell_length_c [7.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdGeI4]
_chemical_formula_sum '[Cd2 Ge2 I8]'
_cell_volume [483.4994]
_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
[
  Cd  Cd0  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1160  0.0000  0.4457  1.0
  I  I3  4  0.1168  0.5000  0.9466  1.0
]