data_[Cs4K4Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/c]
_cell_length_a [6.4421]
_cell_length_b [12.3754]
_cell_length_c [5.6858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsKTiO3]
_chemical_formula_sum '[Cs4 K4 Ti4 O12]'
_cell_volume [450.8572]
_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
[
  Cs  Cs0  4  0.0000  0.2528  0.2500  1.0
  K  K1  4  0.0000  0.4173  0.7500  1.0
  Ti  Ti2  4  0.0000  0.0461  0.7500  1.0
  O  O3  8  0.1934  0.0182  0.4934  1.0
  O  O4  4  0.0000  0.1906  0.7500  1.0
]