data_[Pr8Al4Au8]
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 [11.1772]
_cell_length_b [4.4795]
_cell_length_c [11.2952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2AlAu2]
_chemical_formula_sum '[Pr8 Al4 Au8]'
_cell_volume [495.6836]
_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  0.0007  0.0000  0.3363  1.0
  Pr  Pr1  4  0.1896  0.0000  0.1071  1.0
  Al  Al2  4  0.2182  0.5000  0.3584  1.0
  Au  Au3  4  0.0185  0.5000  0.8790  1.0
  Au  Au4  4  0.1513  0.5000  0.5690  1.0
]