data_[Ba6Li8Tl4]
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 [C2/m]
_cell_length_a [12.7547]
_cell_length_b [5.3192]
_cell_length_c [9.9679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Li2Tl)2]
_chemical_formula_sum '[Ba6 Li8 Tl4]'
_cell_volume [633.9217]
_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
[
  Ba  Ba0  4  0.1411  0.5000  0.6829  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1198  0.0000  0.4240  1.0
  Li  Li3  4  0.2209  0.5000  0.0746  1.0
  Tl  Tl4  4  0.1518  0.5000  0.3215  1.0
]