data_[Tl4In16Sn6]
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 [C2/m]
_cell_length_a [18.5502]
_cell_length_b [6.5366]
_cell_length_c [6.3062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In8Sn3]
_chemical_formula_sum '[Tl4 In16 Sn6]'
_cell_volume [760.4900]
_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
[
  Tl  Tl0  4  0.1716  0.0000  0.2965  1.0
  In  In1  8  0.1420  0.2544  0.7817  1.0
  In  In2  4  0.0708  0.5000  0.3845  1.0
  In  In3  4  0.2168  0.5000  0.1878  1.0
  Sn  Sn4  4  0.0000  0.2399  0.0000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.5000  1.0
]