data_[Ba8Cd8Ge4]
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/m]
_cell_length_a [12.8328]
_cell_length_b [4.7306]
_cell_length_c [13.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Cd2Ge]
_chemical_formula_sum '[Ba8 Cd8 Ge4]'
_cell_volume [711.9109]
_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  4  0.0950  0.0000  0.8889  1.0
  Ba  Ba1  4  0.1993  0.5000  0.6325  1.0
  Cd  Cd2  4  0.0385  0.0000  0.4096  1.0
  Cd  Cd3  4  0.1204  0.5000  0.1203  1.0
  Ge  Ge4  4  0.0769  0.5000  0.3185  1.0
]