data_[Br4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7579]
_cell_length_b [6.9912]
_cell_length_c [5.4476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BrF2]
_chemical_formula_sum '[Br4 F8]'
_cell_volume [236.4119]
_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
[
  Br  Br0  2  0.0724  0.5000  0.2751  1.0
  Br  Br1  2  0.2646  0.5000  0.7811  1.0
  F  F2  4  0.2699  0.2288  0.7904  1.0
  F  F3  2  0.3157  0.0000  0.3123  1.0
  F  F4  2  0.3641  0.5000  0.2072  1.0
]