# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65615920
_cell_length_b   10.75546176
_cell_length_c   34.18704356
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti36 Nb12'
_cell_volume   2079.75525511
_cell_formula_units_Z   12
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  Ti1  1  0.439940  0.724742  0.547695  1
  Ti  Ti2  1  -0.060060  0.660442  0.537686  1
  Ti  Ti3  1  -0.060060  0.450037  0.568065  1
  Ti  Ti4  1  -0.060060  0.225340  0.539147  1
  Ti  Ti5  1  0.439940  0.143529  0.543901  1
  Ti  Ti6  1  0.439940  0.924377  0.505308  1
  Ti  Ti7  1  0.439940  0.725622  0.620629  1
  Ti  Ti8  1  0.939940  0.653807  0.610917  1
  Ti  Ti9  1  -0.060060  0.441916  0.644420  1
  Ti  Ti10  1  0.939940  0.230692  0.610051  1
  Ti  Ti11  1  0.439940  0.156134  0.617756  1
  Ti  Ti12  1  0.439940  0.937999  0.581836  1
  Ti  Ti13  1  0.439940  0.730584  0.692256  1
  Ti  Ti14  1  -0.060060  0.658293  0.682634  1
  Ti  Ti15  1  0.939940  0.440905  0.717519  1
  Ti  Ti16  1  0.939940  0.226569  0.681115  1
  Ti  Ti17  1  0.439940  0.159678  0.689856  1
  Ti  Ti18  1  0.439940  -0.055663  0.655243  1
  Ti  Ti19  1  0.439940  0.729610  0.763886  1
  Ti  Ti20  1  0.939940  0.657223  0.754120  1
  Ti  Ti21  1  0.939940  0.443147  0.790303  1
  Ti  Ti22  1  0.939940  0.229564  0.753578  1
  Ti  Ti23  1  0.439940  0.161277  0.763054  1
  Ti  Ti24  1  0.439940  -0.052665  0.727988  1
  Ti  Ti25  1  0.439940  0.733744  0.835573  1
  Ti  Ti26  1  -0.060060  0.660360  0.826164  1
  Ti  Ti27  1  0.939940  0.444449  0.863452  1
  Ti  Ti28  1  0.939940  0.228523  0.826071  1
  Ti  Ti29  1  0.439940  0.156738  0.835308  1
  Ti  Ti30  1  0.439940  -0.054126  0.801246  1
  Ti  Ti31  1  0.439940  0.728065  0.907631  1
  Ti  Ti32  1  0.939940  0.654304  0.899459  1
  Ti  Ti33  1  0.939940  0.444569  0.940105  1
  Ti  Ti34  1  0.939940  0.235144  0.899405  1
  Ti  Ti35  1  0.439940  0.162325  0.907570  1
  Ti  Ti36  1  0.439940  -0.054422  0.877260  1
  Nb  Nb37  1  -0.060060  0.940277  0.561453  1
  Nb  Nb38  1  0.439940  0.434845  0.548599  1
  Nb  Nb39  1  0.939940  0.938850  0.626634  1
  Nb  Nb40  1  0.439940  0.441151  0.614700  1
  Nb  Nb41  1  0.939940  -0.056063  0.695252  1
  Nb  Nb42  1  0.439940  0.443799  0.683113  1
  Nb  Nb43  1  0.939940  -0.055178  0.763657  1
  Nb  Nb44  1  0.439940  0.444199  0.751291  1
  Nb  Nb45  1  0.939940  -0.054970  0.832520  1
  Nb  Nb46  1  0.439940  0.444774  0.819815  1
  Nb  Nb47  1  0.939940  -0.055214  0.899410  1
  Nb  Nb48  1  0.439940  0.445133  0.884953  1
