data_[Tb2Pr3Tl4]
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 [P-3m1]
_cell_length_a [5.4318]
_cell_length_b [5.4318]
_cell_length_c [10.6199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb2Pr3Tl4]
_chemical_formula_sum '[Tb2 Pr3 Tl4]'
_cell_volume [271.3543]
_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
[
  Tb  Tb0  2  0.3333  0.6667  0.7803  1.0
  Pr  Pr1  2  0.3333  0.6667  0.4200  1.0
  Pr  Pr2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.3430  1.0
  Tl  Tl4  2  0.3333  0.6667  0.1004  1.0
]