data_[Ba6Cd18Ge4]
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 [Immm]
_cell_length_a [5.0966]
_cell_length_b [10.8419]
_cell_length_c [14.2240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Cd9Ge2]
_chemical_formula_sum '[Ba6 Cd18 Ge4]'
_cell_volume [785.9639]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.3148  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  8  0.0000  0.2818  0.1319  1
  Cd  Cd3  8  0.0000  0.3638  0.3381  1
  Cd  Cd4  2  0.0000  0.5000  0.0000  1
  Ge  Ge5  4  0.0000  0.2146  0.5000  1
]