data_[Ac12Cd4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.3697]
_cell_length_b [4.2692]
_cell_length_c [16.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ac3CdRu]
_chemical_formula_sum '[Ac12 Cd4 Ru4]'
_cell_volume [710.5261]
_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  0.0180  0.7500  0.3931  1
  Ac  Ac1  4  0.1688  0.7500  0.9951  1
  Ac  Ac2  4  0.2215  0.2500  0.2147  1
  Cd  Cd3  4  0.0537  0.2500  0.8274  1
  Ru  Ru4  4  0.1681  0.7500  0.5585  1
]