data_[Pr5Tl4Au1]
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 [P4/mmm]
_cell_length_a [3.7505]
_cell_length_b [3.7505]
_cell_length_c [21.0850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr5Tl4Au]
_chemical_formula_sum '[Pr5 Tl4 Au1]'
_cell_volume [296.5912]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.0881  1.0
  Pr  Pr1  2  0.5000  0.5000  0.2944  1.0
  Pr  Pr2  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.1911  1.0
  Tl  Tl4  2  0.0000  0.0000  0.3970  1.0
  Au  Au5  1  0.0000  0.0000  0.0000  1.0
]