data_[Au1O2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0886]
_cell_length_b [5.3627]
_cell_length_c [5.3624]
_cell_angle_alpha [79.1321]
_cell_angle_beta [76.5786]
_cell_angle_gamma [74.6962]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Au(OF3)2]
_chemical_formula_sum '[Au1 O2 F6]'
_cell_volume [136.0183]
_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
[
  Au  Au0  1  0.0000  0.0000  0.0000  1.0
  O  O1  2  0.3950  0.4979  0.4736  1.0
  F  F2  2  0.0561  0.2640  0.1742  1.0
  F  F3  2  0.2139  0.1267  0.6709  1.0
  F  F4  2  0.3404  0.7622  0.0837  1.0
]