data_[Au4F12]
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 [Ama2]
_cell_length_a [4.0309]
_cell_length_b [34.5091]
_cell_length_c [19.9239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [AuF3]
_chemical_formula_sum '[Au4 F12]'
_cell_volume [2771.4800]
_cell_formula_units_Z [4]
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  0.2500  0.3741  0.0003  1
  F  F1  4  0.2500  0.1171  0.4990  1
  F  F2  4  0.2500  0.3686  0.9035  1
  F  F3  4  0.2500  0.3785  0.0971  1
]