data_[Na8Tl24Sn8]
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/c]
_cell_length_a [12.4963]
_cell_length_b [11.7898]
_cell_length_c [9.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl3Sn]
_chemical_formula_sum '[Na8 Tl24 Sn8]'
_cell_volume [1211.1076]
_cell_formula_units_Z [8]
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  0.0000  0.0744  0.7500  1.0
  Na  Na1  4  0.0000  0.3845  0.2500  1.0
  Tl  Tl2  8  0.1344  0.1550  0.1411  1.0
  Tl  Tl3  8  0.1775  0.1381  0.5348  1.0
  Tl  Tl4  8  0.1947  0.4267  0.0699  1.0
  Sn  Sn5  8  0.0725  0.3425  0.6567  1.0
]