data_[Au2Se4O6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6021]
_cell_length_b [5.5458]
_cell_length_c [7.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AuSe2(OF2)3]
_chemical_formula_sum '[Au2 Se4 O6 F12]'
_cell_volume [375.0858]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Se  Se1  4  0.1666  0.5000  0.1250  1
  O  O2  4  0.2500  0.2500  0.0000  1
  O  O3  2  0.0000  0.5000  0.0000  1
  F  F4  8  0.0935  0.2659  0.3082  1
  F  F5  4  0.1648  0.0000  0.6925  1
]