data_[Au4Cl12F4]
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_1/c]
_cell_length_a [10.2178]
_cell_length_b [5.4854]
_cell_length_c [11.3436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuCl3F]
_chemical_formula_sum '[Au4 Cl12 F4]'
_cell_volume [558.2607]
_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  0.2476  0.5886  0.3613  1
  Cl  Cl1  4  0.1066  0.6605  0.9182  1
  Cl  Cl2  4  0.2356  0.6403  0.7035  1
  Cl  Cl3  4  0.3893  0.1757  0.8114  1
  F  F4  4  0.2627  0.1430  0.0003  1
]