data_[Tl8In16Sn12]
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 [Cmce]
_cell_length_a [6.5074]
_cell_length_b [17.0055]
_cell_length_c [9.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tl2In4Sn3]
_chemical_formula_sum '[Tl8 In16 Sn12]'
_cell_volume [1084.1032]
_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  0.1040  0.5711  1.0
  In  In1  8  0.0000  0.1822  0.9801  1.0
  In  In2  8  0.2500  0.0523  0.2500  1.0
  Sn  Sn3  8  0.2500  0.2326  0.2500  1.0
  Sn  Sn4  4  0.0000  0.0000  0.0000  1.0
]