data_[Pr36Ge3Pd18]
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 [R-3]
_cell_length_a [13.1833]
_cell_length_b [13.1833]
_cell_length_c [12.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12GePd6]
_chemical_formula_sum '[Pr36 Ge3 Pd18]'
_cell_volume [1839.1259]
_cell_formula_units_Z [3]
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  18  0.0209  0.2082  0.3892  1
  Pr  Pr1  18  0.0289  0.2050  0.8807  1
  Ge  Ge2  3  0.0000  0.0000  0.0000  1
  Pd  Pd3  18  0.0332  0.2567  0.6418  1
]