data_[K4Fe4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.8703]
_cell_length_b [8.0506]
_cell_length_c [5.7717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [KFeO2]
_chemical_formula_sum '[K4 Fe4 O8]'
_cell_volume [272.7720]
_cell_formula_units_Z [4]
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  0.0511  0.3776  0.9849  1.0
  Fe  Fe1  4  0.0496  0.8743  0.0030  1.0
  O  O2  4  0.0196  0.9336  0.3228  1.0
  O  O3  4  0.1389  0.3146  0.4444  1.0
]