data_[Cs2Sb2Br2F6]
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 [P-1]
_cell_length_a [4.7533]
_cell_length_b [8.1265]
_cell_length_c [9.3912]
_cell_angle_alpha [111.2540]
_cell_angle_beta [98.3189]
_cell_angle_gamma [102.8353]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSbBrF3]
_chemical_formula_sum '[Cs2 Sb2 Br2 F6]'
_cell_volume [319.3522]
_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  2  0.0127  0.6842  0.3470  1.0
  Sb  Sb1  2  0.3402  0.1536  0.2039  1.0
  Br  Br2  2  0.4486  0.7751  0.0667  1.0
  F  F3  2  0.2235  0.7745  0.7127  1.0
  F  F4  2  0.3175  0.1195  0.4045  1.0
  F  F5  2  0.3971  0.4249  0.3121  1.0
]