data_[Ac36Cd18Cu3]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1775]
_cell_length_b [13.1775]
_cell_length_c [14.6571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12Cd6Cu]
_chemical_formula_sum '[Ac36 Cd18 Cu3]'
_cell_volume [2204.1533]
_cell_formula_units_Z [3]
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  18  0.0341  0.1919  0.8731  1
  Ac  Ac1  18  0.0406  0.8466  0.3905  1
  Cd  Cd2  18  0.0000  0.3999  0.7415  1
  Cu  Cu3  3  0.0000  0.0000  0.0000  1
]