data_[Cs3Rb1Fe2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6856]
_cell_length_b [6.6856]
_cell_length_c [8.5984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3RbFe2F8]
_chemical_formula_sum '[Cs3 Rb1 Fe2 F8]'
_cell_volume [332.8377]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.6515  1
  Cs  Cs1  1  0.0000  0.0000  0.0000  1
  Rb  Rb2  1  0.0000  0.0000  0.5000  1
  Fe  Fe3  2  0.3333  0.6667  0.1968  1
  F  F4  6  0.1784  0.3567  0.2952  1
  F  F5  2  0.3333  0.6667  0.9715  1
]