data_[Cd4Ge4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7567]
_cell_length_b [16.3802]
_cell_length_c [6.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdGeCl4]
_chemical_formula_sum '[Cd4 Ge4 Cl16]'
_cell_volume [687.2142]
_cell_formula_units_Z [4]
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  4  0.0000  0.4234  0.7500  1.0
  Ge  Ge1  4  0.0000  0.0821  0.2500  1.0
  Cl  Cl2  8  0.2279  0.5523  0.7454  1.0
  Cl  Cl3  8  0.2308  0.8220  0.7303  1.0
]