data_[Cs6H2Br2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1114]
_cell_length_b [4.9067]
_cell_length_c [11.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3HBrF]
_chemical_formula_sum '[Cs6 H2 Br2 F2]'
_cell_volume [465.0248]
_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  0.0980  0.7500  0.8674  1
  Cs  Cs1  2  0.1959  0.2500  0.5168  1
  Cs  Cs2  2  0.4978  0.2500  0.1785  1
  H  H3  2  0.3247  0.2500  0.8929  1
  Br  Br4  2  0.2363  0.7500  0.2514  1
  F  F5  2  0.1459  0.7500  0.6285  1
]