data_[Ag12Cl4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3424]
_cell_length_b [7.2064]
_cell_length_c [8.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3ClF5]
_chemical_formula_sum '[Ag12 Cl4 F20]'
_cell_volume [616.7290]
_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  4  0.1440  0.5000  0.6825  1.0
  Ag  Ag1  4  0.1711  0.5000  0.1627  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  4  0.1208  0.0000  0.3041  1.0
  F  F5  8  0.1512  0.2083  0.6751  1.0
  F  F6  4  0.0000  0.2966  0.0000  1.0
  F  F7  4  0.0657  0.5000  0.3332  1.0
  F  F8  4  0.2189  0.0000  0.9978  1.0
]