data_[Na18Tb3Tl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3107]
_cell_length_b [12.3107]
_cell_length_c [13.3517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6TbTl12]
_chemical_formula_sum '[Na18 Tb3 Tl36]'
_cell_volume [1752.4049]
_cell_formula_units_Z [3]
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
[
  Na  Na0  18  0.0155  0.4210  0.7143  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  18  0.0431  0.1846  0.8183  1.0
  Tl  Tl3  18  0.0544  0.8622  0.4034  1.0
]