data_[Na2Li4Tl6Br12]
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 [19.4578]
_cell_length_b [4.3498]
_cell_length_c [9.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLi2(TlBr2)3]
_chemical_formula_sum '[Na2 Li4 Tl6 Br12]'
_cell_volume [729.5844]
_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  0.0000  0.5000  0.0000  1.0
  Li  Li1  4  0.1714  0.0000  0.3413  1.0
  Tl  Tl2  4  0.1637  0.0000  0.8271  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  4  0.0207  0.0000  0.2394  1.0
  Br  Br5  4  0.1644  0.5000  0.1101  1.0
  Br  Br6  4  0.1796  0.5000  0.5546  1.0
]