data_[Na2Li2Tl2Br6]
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 [P2_1/m]
_cell_length_a [9.0960]
_cell_length_b [4.3932]
_cell_length_c [9.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiTlBr3]
_chemical_formula_sum '[Na2 Li2 Tl2 Br6]'
_cell_volume [380.8612]
_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  0.3397  0.7500  0.8595  1.0
  Li  Li1  2  0.0906  0.2500  0.6051  1.0
  Tl  Tl2  2  0.2010  0.2500  0.2141  1.0
  Br  Br3  2  0.1101  0.2500  0.8631  1.0
  Br  Br4  2  0.1898  0.7500  0.5303  1.0
  Br  Br5  2  0.4470  0.7500  0.1686  1.0
]