data_[Tl4Cd12Sn8]
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 [Cmcm]
_cell_length_a [10.2795]
_cell_length_b [9.8835]
_cell_length_c [6.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlCd3Sn2]
_chemical_formula_sum '[Tl4 Cd12 Sn8]'
_cell_volume [668.6693]
_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  0.0000  0.3184  0.2500  1
  Cd  Cd1  8  0.1454  0.2629  0.7500  1
  Cd  Cd2  4  0.0000  0.0005  0.2500  1
  Sn  Sn3  8  0.2450  0.5000  0.0000  1
]