data_[Cs2As2Br2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  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 [5.0046]
_cell_length_b [8.0534]
_cell_length_c [8.9920]
_cell_angle_alpha [112.4549]
_cell_angle_beta [97.3238]
_cell_angle_gamma [104.0964]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAsBrF3]
_chemical_formula_sum '[Cs2 As2 Br2 F6]'
_cell_volume [314.8627]
_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  0.0182  0.3347  0.6770  1.0
  As  As1  2  0.3626  0.1529  0.2119  1.0
  Br  Br2  2  0.4613  0.7787  0.0710  1.0
  F  F3  2  0.2620  0.7607  0.6964  1.0
  F  F4  2  0.2937  0.1162  0.3958  1.0
  F  F5  2  0.3533  0.3971  0.3054  1.0
]