data_[Pr8Zn20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.5941]
_cell_length_b [11.7861]
_cell_length_c [5.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2Zn5Au3]
_chemical_formula_sum '[Pr8 Zn20 Au12]'
_cell_volume [816.7184]
_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  0.2465  0.1253  0.0000  1.0
  Zn  Zn1  8  0.0000  0.2518  0.2500  1.0
  Zn  Zn2  8  0.1326  0.1308  0.5000  1.0
  Zn  Zn3  4  0.0000  0.5000  0.2500  1.0
  Au  Au4  8  0.1448  0.3765  0.0000  1.0
  Au  Au5  4  0.0000  0.0000  0.2500  1.0
]