data_[K4Fe2F12]
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 [C2/m]
_cell_length_a [9.8112]
_cell_length_b [5.8140]
_cell_length_c [4.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2FeF6]
_chemical_formula_sum '[K4 Fe2 F12]'
_cell_volume [272.2470]
_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  4  0.1646  0.5000  0.2874  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0806  0.2359  0.7798  1.0
  F  F3  4  0.1518  0.0000  0.2160  1.0
]