data_[Ag2Br2F6]
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 [P1]
_cell_length_a [4.8177]
_cell_length_b [6.5342]
_cell_length_c [6.8849]
_cell_angle_alpha [80.2075]
_cell_angle_beta [72.0079]
_cell_angle_gamma [83.2571]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgBrF3]
_chemical_formula_sum '[Ag2 Br2 F6]'
_cell_volume [202.6470]
_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  1  0.2783  0.1830  0.3526  1.0
  Ag  Ag1  1  0.8275  0.7194  0.2983  1.0
  Br  Br2  1  0.2081  0.4039  0.6618  1.0
  Br  Br3  1  0.7255  0.8841  0.9628  1.0
  F  F4  1  0.0157  0.4265  0.2309  1.0
  F  F5  1  0.1073  0.8606  0.7905  1.0
  F  F6  1  0.3064  0.9272  0.1585  1.0
  F  F7  1  0.4933  0.2555  0.7699  1.0
  F  F8  1  0.6491  0.9971  0.4175  1.0
  F  F9  1  0.8810  0.5990  0.5935  1.0
]