data_[Pr20Pd8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.5432]
_cell_length_b [6.7474]
_cell_length_c [7.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr5Pd2]
_chemical_formula_sum '[Pr20 Pd8]'
_cell_volume [861.9294]
_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  0.0942  0.1056  0.4306  1
  Pr  Pr1  8  0.2190  0.4270  0.8112  1
  Pr  Pr2  4  0.0000  0.4255  0.7500  1
  Pd  Pd3  8  0.1105  0.3105  0.0749  1
]