data_[Na2Li4Tl6]
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 [Cm]
_cell_length_a [5.3358]
_cell_length_b [8.6776]
_cell_length_c [20.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaLi2Tl3]
_chemical_formula_sum '[Na2 Li4 Tl6]'
_cell_volume [935.5672]
_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  0.0401  0.5000  0.6481  1
  Li  Li1  4  0.0569  0.1679  0.5372  1
  Tl  Tl2  4  0.1610  0.1739  0.3905  1
  Tl  Tl3  2  0.0906  0.5000  0.4966  1
]