data_[K16Fe4O12]
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 [Cc]
_cell_length_a [11.3127]
_cell_length_b [6.7186]
_cell_length_c [9.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [K4FeO3]
_chemical_formula_sum '[K16 Fe4 O12]'
_cell_volume [633.5375]
_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  0.1026  0.1650  0.9710  1
  K  K1  4  0.2456  0.3523  0.6478  1
  K  K2  4  0.2845  0.1554  0.3690  1
  K  K3  4  0.4221  0.3210  0.0417  1
  Fe  Fe4  4  0.0137  0.3946  0.2563  1
  O  O5  4  0.0148  0.1121  0.2457  1
  O  O6  4  0.1784  0.4752  0.8637  1
  O  O7  4  0.3464  0.0182  0.1538  1
]