data_[Ag12S4F24]
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 [Cmc2_1]
_cell_length_a [9.2403]
_cell_length_b [15.5312]
_cell_length_c [4.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag3SF6]
_chemical_formula_sum '[Ag12 S4 F24]'
_cell_volume [627.1541]
_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
[
  Ag  Ag0  8  0.2035  0.4298  0.5708  1.0
  Ag  Ag1  4  0.0000  0.4353  0.0676  1.0
  S  S2  4  0.0000  0.1857  0.4128  1.0
  F  F3  8  0.1267  0.2304  0.2228  1.0
  F  F4  8  0.2225  0.1060  0.5781  1.0
  F  F5  4  0.0000  0.1032  0.1463  1.0
  F  F6  4  0.0000  0.2810  0.6445  1.0
]