data_[Cs4Fe6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8437]
_cell_length_b [6.7439]
_cell_length_c [5.6203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Fe3F8]
_chemical_formula_sum '[Cs4 Fe6 F16]'
_cell_volume [496.5809]
_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  0.2214  0.5000  0.6819  1
  Fe  Fe1  4  0.0000  0.2580  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.0790  0.2155  0.3734  1
  F  F4  4  0.0823  0.0000  0.8977  1
  F  F5  4  0.0971  0.5000  0.0006  1
]