data_[Pr16Al4Pd2]
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 [19.1019]
_cell_length_b [5.2321]
_cell_length_c [6.9696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Al2Pd]
_chemical_formula_sum '[Pr16 Al4 Pd2]'
_cell_volume [679.9838]
_cell_formula_units_Z [2]
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  0.0198  0.0000  0.7753  1.0
  Pr  Pr1  4  0.0946  0.5000  0.4614  1.0
  Pr  Pr2  4  0.1539  0.5000  0.9687  1.0
  Pr  Pr3  4  0.2081  0.0000  0.2985  1.0
  Al  Al4  4  0.1869  0.0000  0.7435  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]