data_[Tl4Cd8Au4]
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 [Cm]
_cell_length_a [14.6138]
_cell_length_b [4.7846]
_cell_length_c [5.7410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCd2Au]
_chemical_formula_sum '[Tl4 Cd8 Au4]'
_cell_volume [399.2912]
_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  2  0.0997  0.0000  0.9093  1.0
  Tl  Tl1  2  0.2334  0.0000  0.5059  1.0
  Cd  Cd2  2  0.0873  0.5000  0.2858  1.0
  Cd  Cd3  2  0.3553  0.5000  0.7691  1.0
  Cd  Cd4  2  0.3737  0.0000  0.0960  1.0
  Cd  Cd5  2  0.4732  0.5000  0.3695  1.0
  Au  Au6  2  0.2757  0.5000  0.2137  1.0
  Au  Au7  2  0.4640  0.0000  0.6654  1.0
]