data_[Ac1Tb12Dy3]
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 [P4/mmm]
_cell_length_a [5.0642]
_cell_length_b [5.0642]
_cell_length_c [20.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac(Tb4Dy)3]
_chemical_formula_sum '[Ac1 Tb12 Dy3]'
_cell_volume [519.8032]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  4  0.0000  0.5000  0.1309  1
  Tb  Tb1  4  0.0000  0.5000  0.3769  1
  Tb  Tb2  2  0.5000  0.5000  0.2544  1
  Ac  Ac3  1  0.0000  0.0000  0.0000  1
  Tb  Tb4  1  0.5000  0.5000  0.0000  1
  Tb  Tb5  1  0.5000  0.5000  0.5000  1
  Dy  Dy6  2  0.0000  0.0000  0.2530  1
  Dy  Dy7  1  0.0000  0.0000  0.5000  1
]