data_[Pr8Al8Pd4]
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 [C2/m]
_cell_length_a [10.8823]
_cell_length_b [4.6827]
_cell_length_c [10.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Al2Pd]
_chemical_formula_sum '[Pr8 Al8 Pd4]'
_cell_volume [481.8156]
_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  0.0814  0.0000  0.8912  1.0
  Pr  Pr1  4  0.1711  0.5000  0.6825  1.0
  Al  Al2  4  0.0936  0.0000  0.4460  1.0
  Al  Al3  4  0.1237  0.5000  0.1204  1.0
  Pd  Pd4  4  0.1416  0.5000  0.3692  1.0
]