data_[Na4Li2Tl6Br12]
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 [7.6308]
_cell_length_b [13.1426]
_cell_length_c [7.9413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Li(TlBr2)3]
_chemical_formula_sum '[Na4 Li2 Tl6 Br12]'
_cell_volume [754.6033]
_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  0.0000  0.3338  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1706  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  8  0.2273  0.1582  0.2065  1.0
  Br  Br5  4  0.2482  0.0000  0.7824  1.0
]