data_[Br12Cl16F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5209]
_cell_length_b [8.8281]
_cell_length_c [9.0883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Br3(Cl2F)2]
_chemical_formula_sum '[Br12 Cl16 F8]'
_cell_volume [1152.6390]
_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  8  0.1865  0.0394  0.0136  1
  Br  Br1  4  0.0000  0.3939  0.2500  1
  Cl  Cl2  8  0.0917  0.2171  0.1307  1
  Cl  Cl3  8  0.1605  0.1956  0.6303  1
  F  F4  8  0.1457  0.3772  0.7203  1
]