data_[Na12Tl24Sn4]
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 [Cmc2_1]
_cell_length_a [10.3451]
_cell_length_b [15.8702]
_cell_length_c [7.6083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na3Tl6Sn]
_chemical_formula_sum '[Na12 Tl24 Sn4]'
_cell_volume [1249.1118]
_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  8  0.1784  0.1413  0.9361  1.0
  Na  Na1  4  0.0000  0.3418  0.6080  1.0
  Tl  Tl2  8  0.1743  0.4793  0.1321  1.0
  Tl  Tl3  8  0.2433  0.1684  0.3583  1.0
  Tl  Tl4  4  0.0000  0.0361  0.2583  1.0
  Tl  Tl5  4  0.0000  0.2962  0.1669  1.0
  Sn  Sn6  4  0.0000  0.1414  0.5993  1.0
]