data_[Au1Cl2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.1858]
_cell_length_b [19.5834]
_cell_length_c [4.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AuCl2F]
_chemical_formula_sum '[Au1 Cl2 F1]'
_cell_volume [261.6946]
_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  0.5000  0.5000  1
  Cl  Cl1  2  0.0000  0.3830  0.5000  1
  F  F2  1  0.0000  0.5000  0.0000  1
]