data_[Cd4Ge8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [26.5329]
_cell_length_b [8.4475]
_cell_length_c [7.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(GeBr3)2]
_chemical_formula_sum '[Cd4 Ge8 Br24]'
_cell_volume [1559.0789]
_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  0.0002  0.2500  1.0
  Ge  Ge1  8  0.2480  0.3776  0.2314  1.0
  Br  Br2  8  0.0532  0.1683  0.5382  1.0
  Br  Br3  8  0.1871  0.1546  0.0569  1.0
  Br  Br4  8  0.1907  0.3989  0.5252  1.0
]