data_[K8Ti8I24O2]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [13.8963]
_cell_length_b [13.8963]
_cell_length_c [8.1614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [K4Ti4I12O]
_chemical_formula_sum '[K8 Ti8 I24 O2]'
_cell_volume [1576.0232]
_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  8  0.0840  0.6813  0.5000  1
  Ti  Ti1  8  0.0286  0.8578  0.0000  1
  I  I2  16  0.1160  0.1734  0.2424  1
  I  I3  8  0.0626  0.6511  0.0000  1
  O  O4  2  0.0000  0.0000  0.0000  1
]