data_[Cu8Au4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [12.0306]
_cell_length_b [10.5098]
_cell_length_c [7.3769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AuCl6]
_chemical_formula_sum '[Cu8 Au4 Cl24]'
_cell_volume [932.6744]
_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
[
  Cu  Cu0  8  0.1811  0.4520  0.1893  1.0
  Au  Au1  4  0.0000  0.1150  0.2500  1.0
  Cl  Cl2  8  0.1241  0.0477  0.8391  1.0
  Cl  Cl3  8  0.1263  0.2710  0.3525  1.0
  Cl  Cl4  8  0.1382  0.4050  0.9014  1.0
]