data_[Pr8Sn12Pd20]
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 [Ibam]
_cell_length_a [11.6516]
_cell_length_b [12.1100]
_cell_length_c [6.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Sn3Pd5]
_chemical_formula_sum '[Pr8 Sn12 Pd20]'
_cell_volume [883.5441]
_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  0.2269  0.3722  0.5000  1.0
  Sn  Sn1  8  0.1168  0.3614  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.2261  0.2500  1.0
  Pd  Pd4  8  0.1613  0.1065  0.5000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]