data_[Tl8Cd4Sn4]
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 [C2/m]
_cell_length_a [11.7137]
_cell_length_b [5.8424]
_cell_length_c [6.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CdSn]
_chemical_formula_sum '[Tl8 Cd4 Sn4]'
_cell_volume [469.8841]
_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  4  0.1224  0.0000  0.8828  1.0
  Tl  Tl1  4  0.2448  0.0000  0.3445  1.0
  Cd  Cd2  4  0.0000  0.2487  0.5000  1.0
  Sn  Sn3  4  0.0982  0.5000  0.1515  1.0
]