data_[Ba1Li1Tl2]
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 [Pm]
_cell_length_a [3.9398]
_cell_length_b [5.1561]
_cell_length_c [6.4884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaLiTl2]
_chemical_formula_sum '[Ba1 Li1 Tl2]'
_cell_volume [130.7229]
_cell_formula_units_Z [1]
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  1  0.4373  0.0000  0.4583  1
  Li  Li1  1  0.2648  0.5000  0.8730  1
  Tl  Tl2  1  0.8557  0.5000  0.2255  1
  Tl  Tl3  1  0.9422  0.0000  0.9432  1
]