data_[K4Ti8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.8032]
_cell_length_b [3.0069]
_cell_length_c [11.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTi2O4]
_chemical_formula_sum '[K4 Ti8 O16]'
_cell_volume [328.5091]
_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  0.2446  0.7500  0.3428  1
  Ti  Ti1  4  0.0691  0.7500  0.1054  1
  Ti  Ti2  4  0.0773  0.7500  0.6035  1
  O  O3  4  0.0208  0.2500  0.7171  1
  O  O4  4  0.0664  0.7500  0.9298  1
  O  O5  4  0.1041  0.2500  0.4856  1
  O  O6  4  0.2102  0.2500  0.1327  1
]