data_[Pr16Nd4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7283]
_cell_length_b [5.1053]
_cell_length_c [8.2490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Nd2Tl]
_chemical_formula_sum '[Pr16 Nd4 Tl2]'
_cell_volume [761.8695]
_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  4  0.0442  0.0000  0.7259  1.0
  Pr  Pr1  4  0.0898  0.5000  0.4420  1.0
  Pr  Pr2  4  0.1364  0.0000  0.1788  1.0
  Pr  Pr3  4  0.1778  0.5000  0.9083  1.0
  Nd  Nd4  4  0.2244  0.0000  0.6346  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]