data_[Na1Tl1Sn2Cl6]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2103]
_cell_length_b [7.6649]
_cell_length_c [7.8604]
_cell_angle_alpha [63.7603]
_cell_angle_beta [63.3462]
_cell_angle_gamma [64.0918]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaTl(SnCl3)2]
_chemical_formula_sum '[Na1 Tl1 Sn2 Cl6]'
_cell_volume [332.4595]
_cell_formula_units_Z [1]
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  1  0.3179  0.0523  0.3236  1
  Tl  Tl1  1  0.7773  0.6003  0.8078  1
  Sn  Sn2  1  0.4915  0.4553  0.5082  1
  Sn  Sn3  1  0.9822  0.9740  0.0348  1
  Cl  Cl4  1  0.1992  0.7198  0.6932  1
  Cl  Cl5  1  0.2127  0.2669  0.5970  1
  Cl  Cl6  1  0.3825  0.7163  0.1906  1
  Cl  Cl7  1  0.6174  0.2116  0.9459  1
  Cl  Cl8  1  0.7339  0.7874  0.3724  1
  Cl  Cl9  1  0.9469  0.2314  0.1881  1
]