data_[Ti6Nb26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6074]
_cell_length_b [9.3649]
_cell_length_c [9.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ti3Nb13]
_chemical_formula_sum '[Ti6 Nb26]'
_cell_volume [576.3426]
_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  0.2598  0.0000  0.0020  1
  Ti  Ti1  2  0.0000  0.0000  0.7450  1
  Nb  Nb2  8  0.2497  0.2497  0.2500  1
  Nb  Nb3  4  0.0000  0.2484  0.5011  1
  Nb  Nb4  4  0.2494  0.0000  0.4994  1
  Nb  Nb5  4  0.5000  0.2497  0.5001  1
  Nb  Nb6  2  0.0000  0.0000  0.2497  1
  Nb  Nb7  2  0.5000  0.0000  0.2522  1
  Nb  Nb8  2  0.5000  0.0000  0.7479  1
]