data_[Ac1Dy3Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0777]
_cell_length_b [5.0777]
_cell_length_c [20.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac(DyY4)3]
_chemical_formula_sum '[Ac1 Dy3 Y12]'
_cell_volume [524.7459]
_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
[
  Ac  Ac0  1  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.0000  0.5000  0.1311  1
  Y  Y2  4  0.0000  0.5000  0.3770  1
  Dy  Dy3  2  0.0000  0.0000  0.2531  1
  Y  Y4  2  0.5000  0.5000  0.2544  1
  Dy  Dy5  1  0.0000  0.0000  0.5000  1
  Y  Y6  1  0.5000  0.5000  0.0000  1
  Y  Y7  1  0.5000  0.5000  0.5000  1
]