data_[Cu4Au4Cl16]
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 [12.9080]
_cell_length_b [4.6285]
_cell_length_c [12.2517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuAuCl4]
_chemical_formula_sum '[Cu4 Au4 Cl16]'
_cell_volume [703.1360]
_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  4  0.0000  0.4634  0.7500  1.0
  Au  Au1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0999  0.2884  0.1521  1.0
  Cl  Cl3  8  0.1090  0.1850  0.8895  1.0
]