data_[Ba2Ti2Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  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 [9.2593]
_cell_length_b [5.9379]
_cell_length_c [7.6694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTiNb2O8]
_chemical_formula_sum '[Ba2 Ti2 Nb4 O16]'
_cell_volume [421.5837]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Nb  Nb2  4  0.1378  0.5000  0.7949  1
  O  O3  8  0.0240  0.2330  0.8158  1
  O  O4  4  0.2032  0.5000  0.5735  1
  O  O5  4  0.2056  0.0000  0.0478  1
]