data_[Sb2Br2O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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/c]
_cell_length_a [7.3361]
_cell_length_b [6.0600]
_cell_length_c [10.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [SbBr(OF3)2]
_chemical_formula_sum '[Sb2 Br2 O4 F12]'
_cell_volume [342.3841]
_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
[
  Sb  Sb0  2  0.0000  0.4882  0.2500  1.0
  Br  Br1  2  0.5000  0.1727  0.7500  1.0
  O  O2  4  0.3429  0.0217  0.5769  1.0
  F  F3  4  0.1616  0.2727  0.7320  1.0
  F  F4  4  0.1708  0.2758  0.2308  1.0
  F  F5  4  0.2675  0.4997  0.9981  1.0
]