data_[Tl8Cd2Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I222]
_cell_length_a [6.4071]
_cell_length_b [6.7250]
_cell_length_c [10.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [23]
_chemical_formula_structural [Tl4CdAu4]
_chemical_formula_sum '[Tl8 Cd2 Au8]'
_cell_volume [469.5849]
_cell_formula_units_Z [2]
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  0.1121  0.2429  0.8465  1
  Cd  Cd1  2  0.0000  0.5000  0.5000  1
  Au  Au2  8  0.1779  0.8527  0.4067  1
]