data_[Ti14Nb6]
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 [C2/m]
_cell_length_a [13.7792]
_cell_length_b [4.6447]
_cell_length_c [5.6908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7Nb3]
_chemical_formula_sum '[Ti14 Nb6]'
_cell_volume [347.6755]
_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  0.1008  0.5000  0.3796  1
  Ti  Ti1  4  0.1066  0.5000  0.8848  1
  Ti  Ti2  4  0.1979  0.0000  0.2608  1
  Ti  Ti3  2  0.0000  0.0000  0.5000  1
  Nb  Nb4  4  0.2037  0.0000  0.7656  1
  Nb  Nb5  2  0.0000  0.0000  0.0000  1
]