data_[Cs6Sb2Br4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5135]
_cell_length_b [8.4602]
_cell_length_c [5.5039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sb(BrF3)2]
_chemical_formula_sum '[Cs6 Sb2 Br4 F12]'
_cell_volume [815.1225]
_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
[
  Cs  Cs0  4  0.2500  0.2500  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.0000  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1974  0.5000  0.9970  1
  F  F4  8  0.0191  0.1636  0.7361  1
  F  F5  4  0.1074  0.0000  0.4287  1
]