data_[Na16Tl4Sn2]
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 [17.9225]
_cell_length_b [4.9621]
_cell_length_c [7.4529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Tl2Sn]
_chemical_formula_sum '[Na16 Tl4 Sn2]'
_cell_volume [652.9189]
_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  0.0453  0.0000  0.7487  1
  Na  Na1  4  0.0951  0.5000  0.4384  1
  Na  Na2  4  0.1358  0.0000  0.1850  1
  Na  Na3  4  0.1788  0.5000  0.9071  1
  Tl  Tl4  4  0.2248  0.0000  0.6267  1
  Sn  Sn5  2  0.0000  0.5000  0.0000  1
]