data_[Pr8Al20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.5249]
_cell_length_b [12.7716]
_cell_length_c [5.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Al5Pd3]
_chemical_formula_sum '[Pr8 Al20 Pd12]'
_cell_volume [788.2959]
_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  8  0.2242  0.3606  0.0000  1.0
  Al  Al1  8  0.0000  0.2139  0.2500  1.0
  Al  Al2  8  0.1624  0.0952  0.0000  1.0
  Al  Al3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.1006  0.3599  0.5000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]