data_[Pr16Ag4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.8442]
_cell_length_b [15.0896]
_cell_length_c [7.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Pr4AgPd2]
_chemical_formula_sum '[Pr16 Ag4 Pd8]'
_cell_volume [783.5882]
_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  0.1716  0.6792  0.2509  1.0
  Pr  Pr1  4  0.4077  0.0243  0.4020  1.0
  Pr  Pr2  4  0.4386  0.4670  0.2576  1.0
  Pr  Pr3  4  0.4925  0.2649  0.5957  1.0
  Ag  Ag4  4  0.1656  0.1319  0.5778  1.0
  Pd  Pd5  4  0.1788  0.4083  0.3688  1.0
  Pd  Pd6  4  0.2749  0.1586  0.0477  1.0
]