data_[K4Ba2Nb4O14]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7853]
_cell_length_b [5.7809]
_cell_length_c [11.4538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2BaNb2O7]
_chemical_formula_sum '[K4 Ba2 Nb4 O14]'
_cell_volume [370.9717]
_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  0.1966  0.0000  0.3841  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  4  0.1097  0.5000  0.1982  1.0
  O  O3  8  0.1631  0.2505  0.8161  1.0
  O  O4  4  0.1791  0.5000  0.3665  1.0
  O  O5  2  0.0000  0.5000  0.0000  1.0
]