data_[Na8Li4Tl4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0884]
_cell_length_b [13.9774]
_cell_length_c [14.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2LiTlCl4]
_chemical_formula_sum '[Na8 Li4 Tl4 Cl16]'
_cell_volume [804.1156]
_cell_formula_units_Z [4]
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  8  0.0000  0.3727  0.5467  1.0
  Li  Li1  4  0.0000  0.1578  0.2500  1.0
  Tl  Tl2  4  0.0000  0.1155  0.7500  1.0
  Cl  Cl3  8  0.0000  0.2585  0.1174  1.0
  Cl  Cl4  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  4  0.0000  0.4295  0.7500  1.0
]