data_[Pr8In20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9882]
_cell_length_b [13.8331]
_cell_length_c [6.1594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2In5Pd3]
_chemical_formula_sum '[Pr8 In20 Pd12]'
_cell_volume [936.2329]
_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  0.2163  0.3479  0.5000  1.0
  In  In1  8  0.0000  0.2033  0.2500  1.0
  In  In2  8  0.1816  0.0789  0.5000  1.0
  In  In3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.0910  0.3511  0.0000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]