data_[Li6Tb4Tl4]
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 [C2/m]
_cell_length_a [10.7933]
_cell_length_b [4.8513]
_cell_length_c [6.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(TbTl)2]
_chemical_formula_sum '[Li6 Tb4 Tl4]'
_cell_volume [327.4602]
_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  0.1046  0.5000  0.4288  1.0
  Li  Li1  2  0.0000  0.5000  0.0000  1.0
  Tb  Tb2  4  0.1508  0.0000  0.7696  1.0
  Tl  Tl3  4  0.1474  0.0000  0.2449  1.0
]