data_[Pr16Pd8Pb4]
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 [Cc]
_cell_length_a [9.0224]
_cell_length_b [15.8629]
_cell_length_c [7.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pr4Pd2Pb]
_chemical_formula_sum '[Pr16 Pd8 Pb4]'
_cell_volume [818.0021]
_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  0.1627  0.3265  0.2319  1.0
  Pr  Pr1  4  0.4094  0.0274  0.9058  1.0
  Pr  Pr2  4  0.4451  0.4586  0.7826  1.0
  Pr  Pr3  4  0.4837  0.2532  0.0710  1.0
  Pd  Pd4  4  0.1887  0.4124  0.8848  1.0
  Pd  Pd5  4  0.2752  0.1673  0.5549  1.0
  Pb  Pb6  4  0.1609  0.1354  0.0689  1.0
]