data_[Na8Tl20In4Sn4]
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
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7618]
_cell_length_b [14.2578]
_cell_length_c [15.5865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2Tl5InSn]
_chemical_formula_sum '[Na8 Tl20 In4 Sn4]'
_cell_volume [1058.2151]
_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  4  0.0000  0.0821  0.4267  1.0
  Na  Na1  4  0.0000  0.0855  0.7537  1.0
  Tl  Tl2  4  0.0000  0.0809  0.0925  1.0
  Tl  Tl3  4  0.0000  0.2488  0.2642  1.0
  Tl  Tl4  4  0.0000  0.2540  0.5861  1.0
  Tl  Tl5  4  0.0000  0.4129  0.0836  1.0
  Tl  Tl6  4  0.0000  0.4171  0.7710  1.0
  In  In7  4  0.0000  0.2394  0.9234  1.0
  Sn  Sn8  4  0.0000  0.4088  0.4228  1.0
]