data_[K2Fe6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8461]
_cell_length_b [7.8377]
_cell_length_c [8.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KFe3F9]
_chemical_formula_sum '[K2 Fe6 F18]'
_cell_volume [378.1978]
_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
[
  K  K0  2  0.0300  0.7500  0.4337  1
  Fe  Fe1  4  0.4746  0.5023  0.6936  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.1721  0.0327  0.8046  1
  F  F4  4  0.2835  0.0272  0.4812  1
  F  F5  4  0.2843  0.0298  0.1311  1
  F  F6  2  0.0555  0.7500  0.9945  1
  F  F7  2  0.4080  0.7500  0.6850  1
  F  F8  2  0.4705  0.7500  0.3015  1
]