data_[K2Fe2O4]
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 [P-1]
_cell_length_a [3.2065]
_cell_length_b [6.8166]
_cell_length_c [6.8476]
_cell_angle_alpha [96.9963]
_cell_angle_beta [103.5195]
_cell_angle_gamma [103.2500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KFeO2]
_chemical_formula_sum '[K2 Fe2 O4]'
_cell_volume [139.1948]
_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  0.4977  0.3330  0.6707  1.0
  Fe  Fe1  2  0.1542  0.1542  0.1592  1.0
  O  O2  2  0.0021  0.1375  0.8700  1.0
  O  O3  2  0.2214  0.7214  0.7132  1.0
]