data_[Cs6Fe4F14]
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 [I4/mmm]
_cell_length_a [4.4134]
_cell_length_b [4.4134]
_cell_length_c [23.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3Fe2F7]
_chemical_formula_sum '[Cs6 Fe4 F14]'
_cell_volume [450.0001]
_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  0.0000  0.0000  0.3163  1.0
  Cs  Cs1  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe2  4  0.0000  0.0000  0.0916  1.0
  F  F3  8  0.0000  0.5000  0.0922  1.0
  F  F4  4  0.0000  0.0000  0.1792  1.0
  F  F5  2  0.0000  0.0000  0.0000  1.0
]