data_[Ca3Al3Cd1Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1023]
_cell_length_b [7.1023]
_cell_length_c [4.5767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ca3Al3CdGe2]
_chemical_formula_sum '[Ca3 Al3 Cd1 Ge2]'
_cell_volume [199.9288]
_cell_formula_units_Z [1]
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  3  0.0000  0.5695  0.0000  1.0
  Al  Al1  3  0.0000  0.2467  0.5000  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  2  0.3333  0.6667  0.5000  1.0
]