data_[Tl40Cd24]
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
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3083]
_cell_length_b [16.7641]
_cell_length_c [17.8181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl5Cd3]
_chemical_formula_sum '[Tl40 Cd24]'
_cell_volume [1884.3239]
_cell_formula_units_Z [8]
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  16  0.0000  0.1005  0.1732  1.0
  Tl  Tl1  16  0.0000  0.1756  0.3999  1.0
  Tl  Tl2  8  0.2496  0.0000  0.5000  1.0
  Cd  Cd3  8  0.0000  0.0000  0.3303  1.0
  Cd  Cd4  8  0.0000  0.1684  0.0000  1.0
  Cd  Cd5  8  0.2500  0.2500  0.2500  1.0
]