data_[K4Ba2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.7226]
_cell_length_b [6.7226]
_cell_length_c [6.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [K2BaTiO4]
_chemical_formula_sum '[K4 Ba2 Ti2 O8]'
_cell_volume [311.4743]
_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  4  0.0000  0.5000  0.2500  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1540  0.1540  0.1632  1
]