data_[Tl8Cd12Sn20]
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 [Ibam]
_cell_length_a [12.5012]
_cell_length_b [14.0236]
_cell_length_c [6.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl2Cd3Sn5]
_chemical_formula_sum '[Tl8 Cd12 Sn20]'
_cell_volume [1213.1327]
_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  0.2457  0.3751  0.5000  1.0
  Cd  Cd1  8  0.1364  0.3711  0.0000  1.0
  Cd  Cd2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.0000  0.2474  0.2500  1.0
  Sn  Sn4  8  0.1388  0.1217  0.5000  1.0
  Sn  Sn5  4  0.0000  0.5000  0.2500  1.0
]