data_[K2Ti6Fe2O16]
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 [Cm]
_cell_length_a [14.3613]
_cell_length_b [3.0063]
_cell_length_c [10.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTi3FeO8]
_chemical_formula_sum '[K2 Ti6 Fe2 O16]'
_cell_volume [314.5968]
_cell_formula_units_Z [2]
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  2  0.4976  0.5000  0.9991  1.0
  Ti  Ti1  2  0.1560  0.0000  0.8257  1.0
  Ti  Ti2  2  0.1657  0.5000  0.5150  1.0
  Ti  Ti3  2  0.3367  0.0000  0.4824  1.0
  Fe  Fe4  2  0.3510  0.5000  0.1855  1.0
  O  O5  2  0.0446  0.0000  0.3792  1.0
  O  O6  2  0.1486  0.5000  0.9443  1.0
  O  O7  2  0.1660  0.5000  0.7069  1.0
  O  O8  2  0.2045  0.5000  0.3603  1.0
  O  O9  2  0.2950  0.0000  0.6402  1.0
  O  O10  2  0.3341  0.0000  0.2976  1.0
  O  O11  2  0.3419  0.0000  0.0393  1.0
  O  O12  2  0.4582  0.5000  0.6247  1.0
]