data_[Na4Li6Tl2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3395]
_cell_length_b [4.1437]
_cell_length_c [8.5402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Li3TlBr6]
_chemical_formula_sum '[Na4 Li6 Tl2 Br12]'
_cell_volume [627.0196]
_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  0.1677  0.0000  0.3328  1.0
  Li  Li1  4  0.1689  0.0000  0.8152  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0085  0.0000  0.7152  1.0
  Br  Br5  4  0.1633  0.5000  0.5885  1.0
  Br  Br6  4  0.1807  0.5000  0.0830  1.0
]