data_[Pr32Ag8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.4977]
_cell_length_b [13.5002]
_cell_length_c [13.9077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Pr4AgAu2]
_chemical_formula_sum '[Pr32 Ag8 Au16]'
_cell_volume [1783.2652]
_cell_formula_units_Z [8]
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  32  0.0670  0.1528  0.8405  1
  Ag  Ag1  8  0.0000  0.0000  0.0000  1
  Au  Au2  16  0.1250  0.1250  0.6250  1
]