data_[Tl36In18Sn3]
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 [R-3]
_cell_length_a [11.8650]
_cell_length_b [11.8650]
_cell_length_c [14.5437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12In6Sn]
_chemical_formula_sum '[Tl36 In18 Sn3]'
_cell_volume [1773.1293]
_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  18  0.0445  0.1852  0.8060  1.0
  Tl  Tl1  18  0.0667  0.8379  0.4168  1.0
  In  In2  18  0.0317  0.4456  0.7051  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]