data_[Tl9In3Sn24]
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 [R3m]
_cell_length_a [6.3892]
_cell_length_b [6.3892]
_cell_length_c [31.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl3InSn8]
_chemical_formula_sum '[Tl9 In3 Sn24]'
_cell_volume [1103.2637]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3756  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4992  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9985  1.0
  In  In3  3  0.0000  0.0000  0.8766  1.0
  Sn  Sn4  9  0.0018  0.5009  0.4381  1.0
  Sn  Sn5  9  0.1674  0.3347  0.2702  1.0
  Sn  Sn6  3  0.0000  0.0000  0.1875  1.0
  Sn  Sn7  3  0.0000  0.0000  0.6875  1.0
]