data_[Pr12Pd12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6186]
_cell_length_b [17.0917]
_cell_length_c [5.7443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr3Pd3Au2]
_chemical_formula_sum '[Pr12 Pd12 Au8]'
_cell_volume [747.9917]
_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  0.0294  0.6014  0.6351  1
  Pr  Pr1  4  0.1675  0.7500  0.1257  1
  Pd  Pd2  8  0.1884  0.5253  0.0751  1
  Pd  Pd3  4  0.1951  0.2500  0.1538  1
  Au  Au4  8  0.1144  0.1191  0.8619  1
]