data_[Br4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6866]
_cell_length_b [4.4199]
_cell_length_c [9.9429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BrOF]
_chemical_formula_sum '[Br4 O4 F4]'
_cell_volume [213.3292]
_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  4  0.2733  0.0124  0.2359  1.0
  O  O1  4  0.4317  0.1768  0.1422  1.0
  F  F2  4  0.0425  0.6889  0.8614  1.0
]