data_[Ba8Cd4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1860]
_cell_length_b [6.6443]
_cell_length_c [8.6143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2CdGe2]
_chemical_formula_sum '[Ba8 Cd4 Ge8]'
_cell_volume [627.2913]
_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
[
  Ba  Ba0  8  0.1493  0.3602  0.1420  1
  Cd  Cd1  4  0.0000  0.0972  0.7500  1
  Ge  Ge2  8  0.1376  0.1616  0.5005  1
]