data_[Ca4Cd4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [10.8289]
_cell_length_b [4.5124]
_cell_length_c [7.5081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCdGe]
_chemical_formula_sum '[Ca4 Cd4 Ge4]'
_cell_volume [288.8821]
_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
[
  Ca  Ca0  4  0.0642  0.5000  0.8245  1.0
  Cd  Cd1  4  0.1643  0.0000  0.5748  1.0
  Ge  Ge2  4  0.1512  0.0000  0.1730  1.0
]