data_[Na8Tl4Sn4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1931]
_cell_length_b [6.3393]
_cell_length_c [11.3619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2TlSn]
_chemical_formula_sum '[Na8 Tl4 Sn4]'
_cell_volume [466.8004]
_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  0.0850  0.7375  0.0891  1.0
  Na  Na1  4  0.2061  0.1468  0.3067  1.0
  Tl  Tl2  4  0.4173  0.1441  0.6595  1.0
  Sn  Sn3  4  0.3225  0.6314  0.4568  1.0
]