data_[Pr16Ge8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.1139]
_cell_length_b [9.1139]
_cell_length_c [9.3516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Pr4Ge2Pd]
_chemical_formula_sum '[Pr16 Ge8 Pd4]'
_cell_volume [776.7699]
_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  16  0.0677  0.1864  0.3119  1.0
  Ge  Ge1  8  0.1173  0.2500  0.6250  1.0
  Pd  Pd2  4  0.0000  0.0000  0.0000  1.0
]