data_[Pr12Bi16Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [10.1964]
_cell_length_b [10.1964]
_cell_length_c [10.1964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Pr3Bi4Pd3]
_chemical_formula_sum '[Pr12 Bi16 Pd12]'
_cell_volume [1060.0917]
_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  12  0.0000  0.2500  0.8750  1.0
  Bi  Bi1  16  0.0833  0.4167  0.5833  1.0
  Pd  Pd2  12  0.0000  0.2500  0.3750  1.0
]