data_[Pr8Zn12Au20]
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 [Cmc2_1]
_cell_length_a [4.5774]
_cell_length_b [24.8925]
_cell_length_c [7.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2Zn3Au5]
_chemical_formula_sum '[Pr8 Zn12 Au20]'
_cell_volume [827.3749]
_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  4  0.0000  0.1771  0.2584  1
  Pr  Pr1  4  0.0000  0.4778  0.2115  1
  Zn  Zn2  4  0.0000  0.0493  0.4013  1
  Zn  Zn3  4  0.0000  0.2229  0.7923  1
  Zn  Zn4  4  0.0000  0.3886  0.5198  1
  Au  Au5  4  0.0000  0.0532  0.0219  1
  Au  Au6  4  0.0000  0.1184  0.6929  1
  Au  Au7  4  0.0000  0.2843  0.4910  1
  Au  Au8  4  0.0000  0.2976  0.0822  1
  Au  Au9  4  0.0000  0.3983  0.8937  1
]