data_[Ag12Br4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6603]
_cell_length_b [7.1936]
_cell_length_c [8.9776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3BrF5]
_chemical_formula_sum '[Ag12 Br4 F20]'
_cell_volume [634.9380]
_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  0.1290  0.5000  0.6938  1
  Ag  Ag1  4  0.1735  0.5000  0.1598  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  Br  Br4  4  0.1346  0.0000  0.3074  1
  F  F5  8  0.1378  0.2061  0.6782  1
  F  F6  4  0.0000  0.2908  0.0000  1
  F  F7  4  0.0793  0.5000  0.3273  1
  F  F8  4  0.2408  0.0000  0.0110  1
]