data_[Tl4In8Sn12]
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/c]
_cell_length_a [6.5309]
_cell_length_b [11.1599]
_cell_length_c [9.3489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlIn2Sn3]
_chemical_formula_sum '[Tl4 In8 Sn12]'
_cell_volume [681.2814]
_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  4  0.0000  0.1350  0.2500  1.0
  In  In1  8  0.1898  0.1338  0.6019  1.0
  Sn  Sn2  8  0.1894  0.3840  0.0674  1.0
  Sn  Sn3  4  0.0000  0.3887  0.7500  1.0
]