data_[K4Ti8Fe4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3700]
_cell_length_b [11.7023]
_cell_length_c [6.2892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTi2FeO6]
_chemical_formula_sum '[K4 Ti8 Fe4 O24]'
_cell_volume [637.0272]
_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  0.0000  0.1049  0.7500  1
  Ti  Ti1  8  0.1432  0.4223  0.6591  1
  Fe  Fe2  4  0.0000  0.2023  0.2500  1
  O  O3  8  0.0769  0.2844  0.5277  1
  O  O4  8  0.1196  0.4633  0.9423  1
  O  O5  8  0.1478  0.0983  0.2223  1
]