data_[Na4Tl8Sn4Cl20]
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 [Cmc2_1]
_cell_length_a [4.5044]
_cell_length_b [18.2351]
_cell_length_c [13.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2SnCl5]
_chemical_formula_sum '[Na4 Tl8 Sn4 Cl20]'
_cell_volume [1143.8380]
_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  4  0.0000  0.2200  0.0238  1.0
  Tl  Tl1  4  0.0000  0.1106  0.6660  1.0
  Tl  Tl2  4  0.0000  0.1494  0.2922  1.0
  Sn  Sn3  4  0.0000  0.4636  0.4526  1.0
  Cl  Cl4  4  0.0000  0.0682  0.0655  1.0
  Cl  Cl5  4  0.0000  0.2775  0.6621  1.0
  Cl  Cl6  4  0.0000  0.3230  0.3936  1.0
  Cl  Cl7  4  0.0000  0.3705  0.0006  1.0
  Cl  Cl8  4  0.0000  0.4931  0.7676  1.0
]