data_[Li4Tb6Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6052]
_cell_length_b [4.9161]
_cell_length_c [16.9039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(TbTl)3]
_chemical_formula_sum '[Li4 Tb6 Tl6]'
_cell_volume [382.7047]
_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
[
  Li  Li0  4  0.0000  0.0000  0.2430  1.0
  Tb  Tb1  4  0.0000  0.5000  0.1394  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.5000  0.3484  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
]