data_[Na8Li2Tl4]
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 [8.6119]
_cell_length_b [6.1605]
_cell_length_c [8.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na4LiTl2]
_chemical_formula_sum '[Na8 Li2 Tl4]'
_cell_volume [408.6227]
_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  4  0.3539  0.0016  0.7807  1.0
  Na  Na1  2  0.2349  0.2500  0.1606  1.0
  Na  Na2  2  0.4077  0.7500  0.4247  1.0
  Li  Li3  2  0.0084  0.7500  0.2519  1.0
  Tl  Tl4  2  0.0532  0.2500  0.4207  1.0
  Tl  Tl5  2  0.1828  0.7500  0.0064  1.0
]