data_[Na20Tl8Sn4]
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 [I4/mcm]
_cell_length_a [8.4381]
_cell_length_b [8.4381]
_cell_length_c [13.5396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Na5Tl2Sn]
_chemical_formula_sum '[Na20 Tl8 Sn4]'
_cell_volume [964.0283]
_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  16  0.1637  0.3363  0.3384  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1350  0.3650  0.0000  1.0
  Sn  Sn3  4  0.0000  0.0000  0.2500  1.0
]