data_[Tl20In8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [5.4432]
_cell_length_b [12.0408]
_cell_length_c [14.8988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl5In2Sn]
_chemical_formula_sum '[Tl20 In8 Sn4]'
_cell_volume [976.4846]
_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
[
  Tl  Tl0  8  0.0000  0.0662  0.1038  1
  Tl  Tl1  8  0.0000  0.3667  0.0331  1
  Tl  Tl2  4  0.0000  0.4674  0.7500  1
  In  In3  8  0.0000  0.2045  0.6419  1
  Sn  Sn4  4  0.0000  0.2606  0.2500  1
]