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 [Pbcm]
_cell_length_a [20.0667]
_cell_length_b [3.3958]
_cell_length_c [17.9357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [AuF]
_chemical_formula_sum '[Au12 F12]'
_cell_volume [1222.1859]
_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  0.4483  0.1576  0.1188  1
  Au  Au1  4  0.4445  0.7040  0.2500  1
  F  F2  8  0.3738  0.6617  0.1352  1
  F  F3  4  0.4320  0.2500  0.0000  1
]