data_[Au6Cl6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.5301]
_cell_length_b [15.9767]
_cell_length_c [16.7235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Au3Cl3F2]
_chemical_formula_sum '[Au6 Cl6 F4]'
_cell_volume [1744.7568]
_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
[
  Au  Au0  4  0.0349  0.1620  0.4990  1
  Au  Au1  2  0.4748  0.5000  0.5222  1
  Cl  Cl2  4  0.2360  0.2877  0.4440  1
  Cl  Cl3  2  0.1399  0.5000  0.4975  1
  F  F4  4  0.2644  0.0935  0.5471  1
]