data_[Pr16Al4Cd2]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8944]
_cell_length_b [5.0933]
_cell_length_c [7.9458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Al2Cd]
_chemical_formula_sum '[Pr16 Al4 Cd2]'
_cell_volume [689.1798]
_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  0.0368  0.0000  0.7418  1.0
  Pr  Pr1  4  0.1008  0.5000  0.4582  1.0
  Pr  Pr2  4  0.1718  0.5000  0.9318  1.0
  Pr  Pr3  4  0.1798  0.0000  0.2648  1.0
  Al  Al4  4  0.2060  0.0000  0.6818  1.0
  Cd  Cd5  2  0.0000  0.5000  0.0000  1.0
]