data_[Pr20Y12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.4415]
_cell_length_b [15.4289]
_cell_length_c [6.6613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr5Y3Tl2]
_chemical_formula_sum '[Pr20 Y12 Tl8]'
_cell_volume [1381.4733]
_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  8  0.1199  0.3356  0.5000  1
  Pr  Pr1  8  0.2498  0.0000  0.2500  1
  Pr  Pr2  4  0.0000  0.5000  0.2500  1
  Y  Y3  8  0.1107  0.2214  0.0000  1
  Y  Y4  4  0.0000  0.0000  0.2500  1
  Tl  Tl5  8  0.1221  0.1415  0.5000  1
]