data_[Na8Tl8Sn6]
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 [Amm2]
_cell_length_a [10.2282]
_cell_length_b [5.1652]
_cell_length_c [12.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na4Tl4Sn3]
_chemical_formula_sum '[Na8 Tl8 Sn6]'
_cell_volume [648.2938]
_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  4  0.2321  0.0000  0.7529  1.0
  Na  Na1  2  0.0000  0.0000  0.9357  1.0
  Na  Na2  2  0.5000  0.0000  0.8954  1.0
  Tl  Tl3  4  0.2794  0.0000  0.0931  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5833  1.0
  Tl  Tl5  2  0.5000  0.0000  0.5951  1.0
  Sn  Sn6  4  0.2484  0.0000  0.4202  1.0
  Sn  Sn7  2  0.0000  0.0000  0.2565  1.0
]