data_[Pr16Pd4Pb4]
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/c]
_cell_length_a [9.0186]
_cell_length_b [14.7315]
_cell_length_c [6.0294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4PdPb]
_chemical_formula_sum '[Pr16 Pd4 Pb4]'
_cell_volume [737.3327]
_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  0.1123  0.1919  0.0716  1.0
  Pr  Pr1  8  0.2188  0.4230  0.3505  1.0
  Pd  Pd2  4  0.0000  0.0033  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3830  0.7500  1.0
]