data_[Na6Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.0370]
_cell_length_b [9.9145]
_cell_length_c [8.4973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Na3TlCl4]
_chemical_formula_sum '[Na6 Tl2 Cl8]'
_cell_volume [508.5942]
_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  0.2498  0.6654  1.0
  Na  Na1  2  0.0000  0.5000  0.1755  1.0
  Tl  Tl2  2  0.0000  0.0000  0.1693  1.0
  Cl  Cl3  4  0.0000  0.2716  0.3476  1.0
  Cl  Cl4  2  0.0000  0.0000  0.8033  1.0
  Cl  Cl5  2  0.0000  0.5000  0.8406  1.0
]