data_[Pr4Al12Au8]
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 [C2/m]
_cell_length_a [15.5481]
_cell_length_b [4.2738]
_cell_length_c [8.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAl3Au2]
_chemical_formula_sum '[Pr4 Al12 Au8]'
_cell_volume [498.3620]
_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  0.1480  0.0000  0.0869  1.0
  Al  Al1  4  0.0195  0.0000  0.3541  1.0
  Al  Al2  4  0.1266  0.5000  0.7575  1.0
  Al  Al3  4  0.1791  0.5000  0.4489  1.0
  Au  Au4  4  0.0191  0.5000  0.1792  1.0
  Au  Au5  4  0.1789  0.0000  0.6521  1.0
]