data_[Ca8Cd8Ge8]
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 [11.3062]
_cell_length_b [4.5777]
_cell_length_c [11.1508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaCdGe]
_chemical_formula_sum '[Ca8 Cd8 Ge8]'
_cell_volume [574.4540]
_cell_formula_units_Z [8]
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  0.0900  0.0000  0.6547  1.0
  Ca  Ca1  4  0.1028  0.5000  0.1569  1.0
  Cd  Cd2  4  0.1202  0.0000  0.9554  1.0
  Cd  Cd3  4  0.2130  0.0000  0.3882  1.0
  Ge  Ge4  4  0.0845  0.5000  0.4302  1.0
  Ge  Ge5  4  0.1951  0.5000  0.8372  1.0
]