data_[Li16Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [11.0423]
_cell_length_b [14.8377]
_cell_length_c [6.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Li2Tl3]
_chemical_formula_sum '[Li16 Tl24]'
_cell_volume [1002.1666]
_cell_formula_units_Z [8]
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  16  0.0307  0.2999  0.6291  1.0
  Tl  Tl1  16  0.0544  0.3957  0.0821  1.0
  Tl  Tl2  8  0.0000  0.0000  0.0777  1.0
]