data_[Cd3Cu6Ge3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9688]
_cell_length_b [2.9688]
_cell_length_c [25.0294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdCu2Ge]
_chemical_formula_sum '[Cd3 Cu6 Ge3]'
_cell_volume [191.0430]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5001  1
  Cu  Cu1  3  0.0000  0.0000  0.0769  1
  Cu  Cu2  3  0.0000  0.0000  0.2564  1
  Ge  Ge3  3  0.0000  0.0000  0.6666  1
]