data_[Pr12Al8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5348]
_cell_length_b [11.0836]
_cell_length_c [15.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Al2Au3]
_chemical_formula_sum '[Pr12 Al8 Au12]'
_cell_volume [773.1153]
_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  0.0000  0.0857  0.6060  1.0
  Pr  Pr1  4  0.0000  0.3882  0.7500  1.0
  Al  Al2  8  0.0000  0.2096  0.0945  1.0
  Au  Au3  8  0.0000  0.3813  0.5442  1.0
  Au  Au4  4  0.0000  0.3220  0.2500  1.0
]