data_[Ba4Cd12Ge8]
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 [17.7256]
_cell_length_b [4.6540]
_cell_length_c [8.4969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd3Ge2]
_chemical_formula_sum '[Ba4 Cd12 Ge8]'
_cell_volume [626.2279]
_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  0.1489  0.0000  0.0624  1.0
  Cd  Cd1  4  0.0460  0.0000  0.3789  1.0
  Cd  Cd2  4  0.0990  0.5000  0.6836  1.0
  Cd  Cd3  4  0.1840  0.5000  0.4392  1.0
  Ge  Ge4  4  0.0136  0.5000  0.1642  1.0
  Ge  Ge5  4  0.1977  0.0000  0.6975  1.0
]