data_[Tb12Pr16Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0698]
_cell_length_b [13.9144]
_cell_length_c [6.5882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3(Pr2Tl)2]
_chemical_formula_sum '[Tb12 Pr16 Tl8]'
_cell_volume [1192.8422]
_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
[
  Tb  Tb0  8  0.1123  0.0620  0.6034  1.0
  Tb  Tb1  4  0.0000  0.4695  0.2500  1.0
  Pr  Pr2  8  0.1062  0.2107  0.0838  1.0
  Pr  Pr3  8  0.1475  0.3256  0.5898  1.0
  Tl  Tl4  8  0.2040  0.4323  0.0484  1.0
]