data_[Pr8Dy4Al12]
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 [Cmmm]
_cell_length_a [5.2319]
_cell_length_b [15.7158]
_cell_length_c [7.4292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr2DyAl3]
_chemical_formula_sum '[Pr8 Dy4 Al12]'
_cell_volume [610.8507]
_cell_formula_units_Z [4]
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  4  0.0000  0.3362  0.5000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  Dy  Dy3  4  0.0000  0.3326  0.0000  1
  Al  Al4  8  0.0000  0.1702  0.2385  1
  Al  Al5  4  0.0000  0.5000  0.2378  1
]