data_[Ac12Cd4Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [12.0607]
_cell_length_b [4.7051]
_cell_length_c [15.0820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3CdGe3]
_chemical_formula_sum '[Ac12 Cd4 Ge12]'
_cell_volume [810.5447]
_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
[
  Ac  Ac0  4  0.0211  0.5000  0.3776  1
  Ac  Ac1  4  0.1036  0.5000  0.9222  1
  Ac  Ac2  4  0.2401  0.5000  0.2232  1
  Cd  Cd3  4  0.2330  0.0000  0.3992  1
  Ge  Ge4  4  0.0269  0.0000  0.2246  1
  Ge  Ge5  4  0.1079  0.0000  0.0759  1
  Ge  Ge6  4  0.1336  0.0000  0.5498  1
]