data_[Ac36Tb21Dy3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [20.7120]
_cell_length_b [20.7120]
_cell_length_c [6.6229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac12Tb7Dy]
_chemical_formula_sum '[Ac36 Tb21 Dy3]'
_cell_volume [2460.5193]
_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  0.0000  0.4126  0.5000  1
  Tb  Tb1  18  0.0801  0.9199  0.8149  1
  Ac  Ac2  18  0.1038  0.5519  0.9850  1
  Tb  Tb3  3  0.0000  0.0000  0.5000  1
  Dy  Dy4  3  0.0000  0.0000  0.0000  1
]