data_[Pr8Al12Au20]
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 [Ibam]
_cell_length_a [10.8813]
_cell_length_b [12.3476]
_cell_length_c [6.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Al3Au5]
_chemical_formula_sum '[Pr8 Al12 Au20]'
_cell_volume [846.5240]
_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  0.2321  0.3664  0.0000  1
  Al  Al1  8  0.1153  0.3690  0.5000  1
  Al  Al2  4  0.0000  0.0000  0.2500  1
  Au  Au3  8  0.0000  0.2368  0.2500  1
  Au  Au4  8  0.1568  0.1005  0.0000  1
  Au  Au5  4  0.0000  0.5000  0.2500  1
]