data_[Tl9Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.2622]
_cell_length_b [10.2622]
_cell_length_c [19.4195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl3Sn2]
_chemical_formula_sum '[Tl9 Sn6]'
_cell_volume [1771.1131]
_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  6  0.1775  0.7182  0.3977  1
  Tl  Tl1  3  0.0000  0.6456  0.6253  1
  Sn  Sn2  6  0.1688  0.4862  0.5397  1
]