data_[Ag12S2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2397]
_cell_length_b [3.1685]
_cell_length_c [11.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag6SF3]
_chemical_formula_sum '[Ag12 S2 F6]'
_cell_volume [326.3026]
_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
[
  Ag  Ag0  2  0.1186  0.7500  0.4648  1.0
  Ag  Ag1  2  0.1242  0.2500  0.9058  1.0
  Ag  Ag2  2  0.2236  0.2500  0.6905  1.0
  Ag  Ag3  2  0.2549  0.2500  0.2254  1.0
  Ag  Ag4  2  0.4484  0.7500  0.6302  1.0
  Ag  Ag5  2  0.4828  0.7500  0.1448  1.0
  S  S6  2  0.0085  0.7500  0.7212  1.0
  F  F7  2  0.1442  0.7500  0.0694  1.0
  F  F8  2  0.3469  0.2500  0.4602  1.0
  F  F9  2  0.3646  0.7500  0.9343  1.0
]