data_[Ba3Li12Tl3In6]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.8673]
_cell_length_b [4.8673]
_cell_length_c [29.6052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaLi4TlIn2]
_chemical_formula_sum '[Ba3 Li12 Tl3 In6]'
_cell_volume [607.3938]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Li  Li1  6  0.0000  0.0000  0.1342  1.0
  Li  Li2  6  0.0000  0.0000  0.4103  1.0
  Tl  Tl3  3  -0.0000  -0.0000  0.5000  1.0
  In  In4  6  0.0000  0.0000  0.2437  1.0
]