data_[Pr4Tl2Au6]
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 [Imm2]
_cell_length_a [4.0913]
_cell_length_b [4.1594]
_cell_length_c [18.8894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pr2TlAu3]
_chemical_formula_sum '[Pr4 Tl2 Au6]'
_cell_volume [321.4480]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.8671  1
  Pr  Pr1  2  0.0000  0.5000  0.6468  1
  Tl  Tl2  2  0.0000  0.5000  0.0440  1
  Au  Au3  2  0.0000  0.0000  0.2970  1
  Au  Au4  2  0.0000  0.0000  0.4428  1
  Au  Au5  2  0.0000  0.5000  0.2023  1
]