data_[Ba16Li8Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.3860]
_cell_length_b [10.7086]
_cell_length_c [18.6761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2LiTl3]
_chemical_formula_sum '[Ba16 Li8 Tl24]'
_cell_volume [1677.1699]
_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
[
  Ba  Ba0  8  0.2452  0.0000  0.0000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Li  Li2  8  0.0000  0.0000  0.3337  1.0
  Tl  Tl3  16  0.0000  0.2411  0.4131  1.0
  Tl  Tl4  8  0.0000  0.0000  0.1721  1.0
]