data_[Br4Cl16F4]
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 [5.8727]
_cell_length_b [15.1229]
_cell_length_c [9.2145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BrCl4F]
_chemical_formula_sum '[Br4 Cl16 F4]'
_cell_volume [792.5034]
_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  0.0000  0.4940  0.2500  1
  Cl  Cl1  8  0.0405  0.1828  0.5604  1
  Cl  Cl2  8  0.1969  0.0987  0.0897  1
  F  F3  4  0.0000  0.0955  0.2500  1
]