data_[K1Cu2Au1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P-1]
_cell_length_a [6.7809]
_cell_length_b [7.5284]
_cell_length_c [8.5385]
_cell_angle_alpha [96.7257]
_cell_angle_beta [100.8113]
_cell_angle_gamma [93.5926]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCu2AuCl8]
_chemical_formula_sum '[K1 Cu2 Au1 Cl8]'
_cell_volume [423.5976]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.2477  0.4952  0.4943  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0131  0.3436  0.6004  1.0
  Cl  Cl4  2  0.1398  0.7284  0.9691  1.0
  Cl  Cl5  2  0.2272  0.0935  0.2385  1.0
  Cl  Cl6  2  0.4839  0.6434  0.3854  1.0
]