data_[Cs2Ba2Nb2O8]
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 [P2_1/m]
_cell_length_a [6.8864]
_cell_length_b [6.6181]
_cell_length_c [8.2373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsBaNbO4]
_chemical_formula_sum '[Cs2 Ba2 Nb2 O8]'
_cell_volume [368.4116]
_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  2  0.3264  0.7500  0.0991  1.0
  Ba  Ba1  2  0.2020  0.7500  0.5662  1.0
  Nb  Nb2  2  0.2806  0.2500  0.3471  1.0
  O  O3  4  0.1075  0.0257  0.3305  1.0
  O  O4  2  0.4448  0.2500  0.5547  1.0
  O  O5  2  0.4545  0.2500  0.1960  1.0
]