data_[Pr6Nd12Tl4]
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 [I4/mmm]
_cell_length_a [4.6928]
_cell_length_b [4.6928]
_cell_length_c [35.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pr3(Nd3Tl)2]
_chemical_formula_sum '[Pr6 Nd12 Tl4]'
_cell_volume [792.4750]
_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  0.0000  0.0000  0.1681  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Nd  Nd2  8  0.0000  0.5000  0.0807  1
  Nd  Nd3  4  0.0000  0.0000  0.2709  1
  Tl  Tl4  4  0.0000  0.0000  0.3573  1
]