data_[Pr20Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3541]
_cell_length_b [8.1417]
_cell_length_c [6.8002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Cd2]
_chemical_formula_sum '[Pr20 Cd8]'
_cell_volume [904.1700]
_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  0.0766  0.1428  0.0232  1.0
  Pr  Pr1  8  0.2352  0.4318  0.1965  1.0
  Pr  Pr2  4  0.0000  0.4676  0.7500  1.0
  Cd  Cd3  8  0.1249  0.2416  0.5077  1.0
]