data_[Au12F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [9.8235]
_cell_length_b [20.8439]
_cell_length_c [5.9682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [AuF]
_chemical_formula_sum '[Au12 F12]'
_cell_volume [1222.0456]
_cell_formula_units_Z [12]
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  8  0.1390  0.4098  0.7389  1
  Au  Au1  4  0.0000  0.5000  0.0000  1
  F  F2  8  0.2096  0.3598  0.4493  1
  F  F3  4  0.2500  0.5000  0.4286  1
]