data_[Pr36Dy18Al3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1016]
_cell_length_b [12.1016]
_cell_length_c [15.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Dy6Al]
_chemical_formula_sum '[Pr36 Dy18 Al3]'
_cell_volume [1951.1827]
_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
[
  Pr  Pr0  18  0.0125  0.1778  0.8144  1
  Pr  Pr1  18  0.0500  0.8479  0.4140  1
  Dy  Dy2  18  0.0316  0.4385  0.6934  1
  Al  Al3  3  0.0000  0.0000  0.0000  1
]