data_[K24Fe16O32]
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 [Fddd]
_cell_length_a [6.0758]
_cell_length_b [11.5731]
_cell_length_c [17.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [K3(FeO2)2]
_chemical_formula_sum '[K24 Fe16 O32]'
_cell_volume [1206.9243]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.3912  1.0
  K  K1  8  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  16  0.0000  0.0000  0.1919  1.0
  O  O3  16  0.0000  0.1820  0.5000  1.0
  O  O4  16  0.1250  0.1250  0.1250  1.0
]