data_[Br6F8]
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 [Pcc2]
_cell_length_a [4.0508]
_cell_length_b [19.8157]
_cell_length_c [15.2511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [27]
_chemical_formula_structural [Br3F4]
_chemical_formula_sum '[Br6 F8]'
_cell_volume [1224.1921]
_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
[
  Br  Br0  4  0.3160  0.0650  0.4532  1
  Br  Br1  2  0.0000  0.0000  0.1776  1
  F  F2  4  0.3976  0.1215  0.0113  1
  F  F3  2  0.0000  0.0000  0.3853  1
  F  F4  2  0.5000  0.0000  0.2050  1
]