data_[Pr20Tl8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.4794]
_cell_length_b [8.8060]
_cell_length_c [7.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr5(TlAu)2]
_chemical_formula_sum '[Pr20 Tl8 Au8]'
_cell_volume [1109.0893]
_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  16  0.1297  0.1813  0.3462  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  8  0.2111  0.0000  0.0000  1
  Au  Au3  8  0.0000  0.1269  0.6310  1
]