data_[Cs4Ba2Nb4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [5.8910]
_cell_length_b [5.8706]
_cell_length_c [12.5060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2BaNb2O7]
_chemical_formula_sum '[Cs4 Ba2 Nb4 O14]'
_cell_volume [421.1046]
_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
[
  Cs  Cs0  4  0.1916  0.0000  0.3769  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb2  4  0.1097  0.5000  0.1771  1.0
  O  O3  8  0.1754  0.2479  0.8351  1.0
  O  O4  4  0.1579  0.5000  0.3303  1.0
  O  O5  2  0.0000  0.5000  0.0000  1.0
]