data_[Pr24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [12.4230]
_cell_length_b [12.4230]
_cell_length_c [6.4497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr3Au]
_chemical_formula_sum '[Pr24 Au8]'
_cell_volume [995.3930]
_cell_formula_units_Z [8]
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  0.0045  0.3599  0.9966  1
  Pr  Pr1  8  0.0935  0.8994  0.7538  1
  Pr  Pr2  8  0.1991  0.7924  0.2534  1
  Au  Au3  8  0.0067  0.2926  0.4963  1
]