data_[Tl4Cu4Au2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7616]
_cell_length_b [6.9660]
_cell_length_c [6.6607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cu2AuCl6]
_chemical_formula_sum '[Tl4 Cu4 Au2 Cl12]'
_cell_volume [604.9251]
_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  0.2288  0.5000  0.2052  1.0
  Cu  Cu1  4  0.0422  0.0000  0.2135  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.0595  0.2504  0.7795  1.0
  Cl  Cl4  4  0.2096  0.0000  0.2958  1.0
]