data_[Ac3Pr36Dy18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.6905]
_cell_length_b [13.6905]
_cell_length_c [12.7397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(Pr2Dy)6]
_chemical_formula_sum '[Ac3 Pr36 Dy18]'
_cell_volume [2067.9073]
_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  3  0.0000  0.0000  0.0000  1
  Pr  Pr1  18  0.0000  0.2593  0.5000  1
  Pr  Pr2  18  0.0908  0.1815  0.2621  1
  Dy  Dy3  18  0.0382  0.5191  0.6202  1
]