data_[Ti6Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [9.9096]
_cell_length_b [5.8206]
_cell_length_c [5.1327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3Nb2O8]
_chemical_formula_sum '[Ti6 Nb4 O16]'
_cell_volume [295.7613]
_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
[
  Ti  Ti0  4  0.0000  0.2521  0.0000  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  Nb  Nb2  4  0.2336  0.5000  0.4945  1
  O  O3  8  0.1240  0.2396  0.6871  1
  O  O4  4  0.1065  0.5000  0.1791  1
  O  O5  4  0.1143  0.0000  0.1758  1
]