data_[K12Fe4O12]
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 [I4cm]
_cell_length_a [7.4519]
_cell_length_b [7.4519]
_cell_length_c [10.1943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [108]
_chemical_formula_structural [K3FeO3]
_chemical_formula_sum '[K12 Fe4 O12]'
_cell_volume [566.0910]
_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  8  0.2311  0.2689  0.0057  1
  K  K1  4  0.0000  0.0000  0.2500  1
  Fe  Fe2  4  0.0000  0.5000  0.2513  1
  O  O3  8  0.1658  0.3342  0.7474  1
  O  O4  4  0.0000  0.0000  0.4985  1
]