data_[Na2Li12Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5157]
_cell_length_b [4.9555]
_cell_length_c [10.4554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(Li2Tl)3]
_chemical_formula_sum '[Na2 Li12 Tl6]'
_cell_volume [423.3291]
_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
[
  Na  Na0  2  0.0607  0.2500  0.3990  1
  Li  Li1  2  0.0616  0.7500  0.9101  1
  Li  Li2  2  0.1635  0.7500  0.1949  1
  Li  Li3  2  0.1814  0.2500  0.7241  1
  Li  Li4  2  0.2785  0.7500  0.5192  1
  Li  Li5  2  0.3698  0.2500  0.2991  1
  Li  Li6  2  0.4582  0.7500  0.0956  1
  Tl  Tl7  2  0.2362  0.2500  0.0156  1
  Tl  Tl8  2  0.3474  0.7500  0.8102  1
  Tl  Tl9  2  0.4666  0.2500  0.6070  1
]