data_[Pr3Al6Zn3Au12]
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
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4353]
_cell_length_b [4.4353]
_cell_length_c [27.5562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PrAl2ZnAu4]
_chemical_formula_sum '[Pr3 Al6 Zn3 Au12]'
_cell_volume [469.4540]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Al  Al1  6  0.0000  0.0000  0.2416  1.0
  Zn  Zn2  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au3  6  0.0000  0.0000  0.1329  1.0
  Au  Au4  6  0.0000  0.0000  0.3999  1.0
]