data_[Br8Cl10F4]
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/m]
_cell_length_a [12.8406]
_cell_length_b [8.1793]
_cell_length_c [9.9797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Br4Cl5F2]
_chemical_formula_sum '[Br8 Cl10 F4]'
_cell_volume [826.2412]
_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
[
  Br  Br0  4  0.1086  0.5000  0.2154  1
  Br  Br1  4  0.1977  0.0000  0.7934  1
  Cl  Cl2  8  0.1301  0.8763  0.2389  1
  Cl  Cl3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.0476  0.5000  0.8020  1
]