data_[K3Cr6Fe9O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2204]
_cell_length_b [7.2204]
_cell_length_c [17.9450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KCr2Fe3O14]
_chemical_formula_sum '[K3 Cr6 Fe9 O42]'
_cell_volume [810.2099]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.0000  1
  Cr  Cr1  6  0.0000  0.0000  0.3119  1
  Fe  Fe2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0817  0.5408  0.3884  1
  O  O4  18  0.1003  0.5501  0.8092  1
  O  O5  6  0.0000  0.0000  0.4017  1
]