data_[Br4O4F12]
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_12_12_1]
_cell_length_a [5.8062]
_cell_length_b [5.8564]
_cell_length_c [10.1794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BrOF3]
_chemical_formula_sum '[Br4 O4 F12]'
_cell_volume [346.1345]
_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  0.1006  0.9441  0.3736  1.0
  O  O1  4  0.1017  0.5626  0.2101  1.0
  F  F2  4  0.1047  0.3194  0.9986  1.0
  F  F3  4  0.1589  0.9427  0.7746  1.0
  F  F4  4  0.1733  0.1536  0.4957  1.0
]