data_[Tl6In16Sn4]
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/m]
_cell_length_a [16.4453]
_cell_length_b [9.4151]
_cell_length_c [5.1632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(In4Sn)2]
_chemical_formula_sum '[Tl6 In16 Sn4]'
_cell_volume [763.1224]
_cell_formula_units_Z [2]
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  0.2559  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  In  In2  8  0.1782  0.2202  0.6649  1
  In  In3  4  0.0822  0.5000  0.4475  1
  In  In4  4  0.1510  0.0000  0.1520  1
  Sn  Sn5  4  0.1848  0.5000  0.0499  1
]