data_[Pr4Sn8Pd40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6818]
_cell_length_b [12.6080]
_cell_length_c [13.0590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr(SnPd5)2]
_chemical_formula_sum '[Pr4 Sn8 Pd40]'
_cell_volume [935.4972]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  8  0.2500  0.0000  0.2500  1
  Pd  Pd2  16  0.0000  0.1110  0.3889  1
  Pd  Pd3  16  0.0000  0.1706  0.1712  1
  Pd  Pd4  8  0.2500  0.2500  0.0000  1
]