data_[Na4Tl2Cl6]
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 [Pmc2_1]
_cell_length_a [3.9574]
_cell_length_b [11.3010]
_cell_length_c [7.2187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2TlCl3]
_chemical_formula_sum '[Na4 Tl2 Cl6]'
_cell_volume [322.8384]
_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  0.2192  0.0046  1.0
  Na  Na1  2  0.5000  0.4898  0.5111  1.0
  Tl  Tl2  2  0.0000  0.1413  0.4982  1.0
  Cl  Cl3  2  0.0000  0.4007  0.2574  1.0
  Cl  Cl4  2  0.5000  0.0733  0.1620  1.0
  Cl  Cl5  2  0.5000  0.3022  0.7680  1.0
]