data_[Tl8Cd8]
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 [Cm]
_cell_length_a [16.0261]
_cell_length_b [4.9377]
_cell_length_c [6.2755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCd]
_chemical_formula_sum '[Tl8 Cd8]'
_cell_volume [466.9371]
_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  2  0.1934  0.0000  0.3265  1.0
  Tl  Tl1  2  0.3375  0.5000  0.6169  1.0
  Tl  Tl2  2  0.4345  0.5000  0.2314  1.0
  Tl  Tl3  2  0.4940  0.0000  0.9115  1.0
  Cd  Cd4  2  0.0822  0.5000  0.4559  1.0
  Cd  Cd5  2  0.0832  0.0000  0.7494  1.0
  Cd  Cd6  2  0.2076  0.5000  0.9948  1.0
  Cd  Cd7  2  0.2975  0.0000  0.9183  1.0
]