data_[Na2Tl12Sn4]
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 [C2/m]
_cell_length_a [13.1506]
_cell_length_b [3.5590]
_cell_length_c [12.2182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(Tl3Sn)2]
_chemical_formula_sum '[Na2 Tl12 Sn4]'
_cell_volume [545.5277]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0199  0.0000  0.3353  1.0
  Tl  Tl2  4  0.1570  0.5000  0.8894  1.0
  Tl  Tl3  4  0.1759  0.5000  0.5780  1.0
  Sn  Sn4  4  0.1728  0.5000  0.2027  1.0
]