data_[Pr16Pd4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9450]
_cell_length_b [5.1411]
_cell_length_c [8.1830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Pd2Pb]
_chemical_formula_sum '[Pr16 Pd4 Pb2]'
_cell_volume [681.1081]
_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  0.0490  0.0000  0.7604  1.0
  Pr  Pr1  4  0.0949  0.5000  0.4668  1.0
  Pr  Pr2  4  0.1836  0.0000  0.2879  1.0
  Pr  Pr3  4  0.1841  0.5000  0.9774  1.0
  Pd  Pd4  4  0.1912  0.0000  0.6500  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]