data_[Au4F1]
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 [P1]
_cell_length_a [2.8191]
_cell_length_b [4.4611]
_cell_length_c [20.5931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0617]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Au4F]
_chemical_formula_sum '[Au4 F1]'
_cell_volume [258.9827]
_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  0.2178  0.4130  0.5955  1
  Au  Au1  1  0.2676  0.5699  0.3639  1
  Au  Au2  1  0.7171  0.9101  0.6355  1
  Au  Au3  1  0.7708  0.0607  0.4074  1
  F  F4  1  0.7253  0.3431  0.4977  1
]