data_[Cu2Au2Cl8]
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 [P2_1/c]
_cell_length_a [6.4948]
_cell_length_b [4.3640]
_cell_length_c [12.6104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuAuCl4]
_chemical_formula_sum '[Cu2 Au2 Cl8]'
_cell_volume [328.1701]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Au  Au1  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  4  0.2023  0.1695  0.8868  1.0
  Cl  Cl3  4  0.2847  0.6574  0.1061  1.0
]