data_[Tl6Cd26]
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 [Amm2]
_cell_length_a [6.0944]
_cell_length_b [11.5708]
_cell_length_c [11.6047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl3Cd13]
_chemical_formula_sum '[Tl6 Cd26]'
_cell_volume [818.3297]
_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  4  0.2508  0.0000  0.0050  1.0
  Tl  Tl1  2  0.0000  0.0000  0.7418  1.0
  Cd  Cd2  8  0.2509  0.2437  0.2502  1.0
  Cd  Cd3  4  0.0000  0.2396  0.5001  1.0
  Cd  Cd4  4  0.2507  0.0000  0.4936  1.0
  Cd  Cd5  4  0.5000  0.2384  0.5016  1.0
  Cd  Cd6  2  0.0000  0.0000  0.2596  1.0
  Cd  Cd7  2  0.5000  0.0000  0.2600  1.0
  Cd  Cd8  2  0.5000  0.0000  0.7369  1.0
]