# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64464165
_cell_length_b   8.29004821
_cell_length_c   66.02012671
_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   1994.74894438
_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  0.543811  0.543129  0.145355  1
  Ti  Ti2  1  0.431968  1.033002  0.212737  1
  Ti  Ti3  1  0.446797  0.772599  0.166114  1
  Ti  Ti4  1  0.516277  0.180281  0.177792  1
  Ti  Ti5  1  1.033158  0.363613  0.158169  1
  Ti  Ti6  1  0.969174  0.955313  0.185728  1
  Ti  Ti7  1  0.906965  0.542861  0.260136  1
  Ti  Ti8  1  0.919861  0.171792  0.232643  1
  Ti  Ti9  1  0.417265  0.704998  0.243893  1
  Ti  Ti10  1  0.411916  0.355971  0.249831  1
  Ti  Ti11  1  0.892137  0.335073  0.304983  1
  Ti  Ti12  1  0.921583  0.861899  0.227455  1
  Ti  Ti13  1  0.369736  0.187286  0.325215  1
  Ti  Ti14  1  0.384048  0.848032  0.318409  1
  Ti  Ti15  1  0.387328  0.504025  0.289045  1
  Ti  Ti16  1  0.868085  0.996634  0.335261  1
  Ti  Ti17  1  0.349163  1.034065  0.365792  1
  Ti  Ti18  1  0.881776  0.661093  0.305301  1
  Ti  Ti19  1  0.831039  0.895706  0.391172  1
  Ti  Ti20  1  0.841627  0.575351  0.402763  1
  Ti  Ti21  1  0.844577  0.218045  0.376887  1
  Ti  Ti22  1  0.338093  0.753450  0.416399  1
  Ti  Ti23  1  0.834590  0.788796  0.446639  1
  Ti  Ti24  1  0.341904  0.394215  0.390152  1
  Ti  Ti25  1  0.315238  0.593267  0.461168  1
  Ti  Ti26  1  0.338352  0.275253  0.491973  1
  Ti  Ti27  1  0.343488  0.954110  0.461422  1
  Ti  Ti28  1  0.821661  0.479626  0.487251  1
  Ti  Ti29  1  0.293735  0.492466  0.521450  1
  Ti  Ti30  1  0.839667  0.158753  0.472594  1
  Ti  Ti31  1  0.845047  0.278157  0.524741  1
  Ti  Ti32  1  0.562698  0.827105  0.579107  1
  Ti  Ti33  1  0.691828  0.641428  0.544019  1
  Ti  Ti34  1  0.533418  0.097082  0.550263  1
  Ti  Ti35  1  1.014871  0.075623  0.580839  1
  Ti  Ti36  1  0.102705  0.855810  0.552161  1
  Nb  Nb37  1  0.853612  0.588996  0.199903  1
  Nb  Nb38  1  1.017741  1.038080  0.140101  1
  Nb  Nb39  1  0.341295  0.923562  0.276448  1
  Nb  Nb40  1  0.348566  0.434244  0.206219  1
  Nb  Nb41  1  0.783888  0.490710  0.346751  1
  Nb  Nb42  1  0.840465  0.084717  0.275813  1
  Nb  Nb43  1  0.268296  0.156732  0.425007  1
  Nb  Nb44  1  0.285886  0.646225  0.355273  1
  Nb  Nb45  1  0.808608  0.794919  0.501490  1
  Nb  Nb46  1  0.765104  0.316953  0.434503  1
  Nb  Nb47  1  0.096111  0.416470  0.570286  1
  Nb  Nb48  1  0.306561  0.945268  0.509920  1
