data_[Al4Au2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [12.1487]
_cell_length_b [8.8904]
_cell_length_c [7.0119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2AuCl8]
_chemical_formula_sum '[Al4 Au2 Cl16]'
_cell_volume [756.7875]
_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
[
  Al  Al0  4  0.2124  0.0000  0.3173  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1153  0.1865  0.1768  1.0
  Cl  Cl3  4  0.1237  0.5000  0.7680  1.0
  Cl  Cl4  4  0.1897  0.0000  0.6150  1.0
]