# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.35310347
_cell_length_b   10.89197429
_cell_length_c   61.19410466
_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   'Ti30 Nb10'
_cell_volume   1568.40138264
_cell_formula_units_Z   10
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  0.658348  0.148576  0.288276  1
  Ti  Ti2  1  1.088049  0.222563  0.247638  1
  Ti  Ti3  1  0.585772  0.447920  0.231226  1
  Ti  Ti4  1  1.096389  0.660947  0.249464  1
  Ti  Ti5  1  0.645610  0.720705  0.289950  1
  Ti  Ti6  1  1.206272  0.932624  0.283449  1
  Ti  Ti7  1  0.671732  0.153503  0.378620  1
  Ti  Ti8  1  0.817622  0.220927  0.332983  1
  Ti  Ti9  1  0.286594  0.436717  0.331344  1
  Ti  Ti10  1  0.820050  0.652237  0.333757  1
  Ti  Ti11  1  0.670870  0.719396  0.378895  1
  Ti  Ti12  1  1.192912  0.936443  0.378285  1
  Ti  Ti13  1  0.679764  0.153621  0.470151  1
  Ti  Ti14  1  0.820211  0.219089  0.424360  1
  Ti  Ti15  1  0.299918  0.436364  0.424227  1
  Ti  Ti16  1  0.820405  0.653630  0.424452  1
  Ti  Ti17  1  0.679973  0.719073  0.470243  1
  Ti  Ti18  1  1.200259  0.936352  0.470378  1
  Ti  Ti19  1  0.680112  0.152190  0.560835  1
  Ti  Ti20  1  0.828843  0.219363  0.515703  1
  Ti  Ti21  1  0.306723  0.436403  0.516323  1
  Ti  Ti22  1  0.828003  0.653466  0.515983  1
  Ti  Ti23  1  0.682563  0.720873  0.561618  1
  Ti  Ti24  1  1.213681  0.936639  0.563252  1
  Ti  Ti25  1  0.404610  0.161053  0.645120  1
  Ti  Ti26  1  0.856659  0.220743  0.604631  1
  Ti  Ti27  1  0.294843  0.432647  0.611152  1
  Ti  Ti28  1  0.842328  0.648626  0.606332  1
  Ti  Ti29  1  0.413012  0.722648  0.646961  1
  Ti  Ti30  1  0.914816  -0.052007  0.663362  1
  Nb  Nb31  1  0.722954  0.937053  0.238180  1
  Nb  Nb32  1  0.845391  0.436637  0.285099  1
  Nb  Nb33  1  0.636121  0.937224  0.332366  1
  Nb  Nb34  1  0.844449  0.435925  0.378337  1
  Nb  Nb35  1  0.652556  0.936518  0.424388  1
  Nb  Nb36  1  0.847489  0.436506  0.470214  1
  Nb  Nb37  1  0.655714  0.935880  0.516264  1
  Nb  Nb38  1  0.863122  0.437145  0.562235  1
  Nb  Nb39  1  0.655286  0.936675  0.609492  1
  Nb  Nb40  1  0.777885  0.437144  0.656427  1
