data_[Au8F8]
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 [P4/mbm]
_cell_length_a [10.9124]
_cell_length_b [10.9124]
_cell_length_c [15.0174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [AuF]
_chemical_formula_sum '[Au8 F8]'
_cell_volume [1788.2933]
_cell_formula_units_Z [8]
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  0.1687  0.3313  0.5000  1
  Au  Au1  2  0.0000  0.0000  0.5000  1
  Au  Au2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.0361  0.2042  0.5000  1
]