data_[Tl12Cd12Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6498]
_cell_length_b [17.3924]
_cell_length_c [6.2216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tl3Cd3Sn2]
_chemical_formula_sum '[Tl12 Cd12 Sn8]'
_cell_volume [935.9925]
_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  8  0.0360  0.6164  0.6174  1
  Tl  Tl1  4  0.1960  0.7500  0.1275  1
  Cd  Cd2  8  0.2034  0.5246  0.0988  1
  Cd  Cd3  4  0.1961  0.2500  0.1507  1
  Sn  Sn4  8  0.0900  0.1158  0.8767  1
]