# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.37350948
_cell_length_b   11.88413155
_cell_length_c   55.04266824
_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   1552.59398772
_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  0.672734  0.338911  0.289263  1
  Ti  Ti2  1  0.840680  0.486949  0.251642  1
  Ti  Ti3  1  0.299665  0.669805  0.268487  1
  Ti  Ti4  1  0.827542  0.838995  0.289234  1
  Ti  Ti5  1  0.658254  -0.013230  0.251721  1
  Ti  Ti6  1  1.200512  0.169355  0.268678  1
  Ti  Ti7  1  0.677273  0.135592  0.380966  1
  Ti  Ti8  1  0.822970  0.287147  0.341648  1
  Ti  Ti9  1  0.296477  0.461763  0.361204  1
  Ti  Ti10  1  0.827524  0.636460  0.380777  1
  Ti  Ti11  1  0.679815  0.787180  0.341810  1
  Ti  Ti12  1  1.208336  -0.039067  0.361572  1
  Ti  Ti13  1  0.692795  0.932400  0.472201  1
  Ti  Ti14  1  0.807830  0.083518  0.433539  1
  Ti  Ti15  1  0.274236  0.254146  0.453961  1
  Ti  Ti16  1  0.824906  0.435672  0.470363  1
  Ti  Ti17  1  0.690413  0.585413  0.432965  1
  Ti  Ti18  1  1.232505  0.753433  0.454587  1
  Ti  Ti19  1  0.504370  0.738229  0.556867  1
  Ti  Ti20  1  0.940494  0.894565  0.524003  1
  Ti  Ti21  1  0.433702  0.054220  0.551225  1
  Ti  Ti22  1  0.956589  0.266244  0.554324  1
  Ti  Ti23  1  0.500345  0.399622  0.519698  1
  Ti  Ti24  1  1.020604  0.533265  0.552938  1
  Ti  Ti25  1  1.039419  0.517577  0.652802  1
  Ti  Ti26  1  1.062287  0.658590  0.598163  1
  Ti  Ti27  1  0.570722  0.720894  0.640621  1
  Ti  Ti28  1  0.593621  -0.043450  0.654970  1
  Ti  Ti29  1  0.349290  0.164676  0.593431  1
  Ti  Ti30  1  0.778364  0.173466  0.637997  1
  Nb  Nb31  1  0.651764  0.263878  0.222156  1
  Nb  Nb32  1  0.846850  0.764251  0.222048  1
  Nb  Nb33  1  0.645284  0.063884  0.315460  1
  Nb  Nb34  1  0.855380  0.564394  0.315280  1
  Nb  Nb35  1  0.658993  0.859064  0.407610  1
  Nb  Nb36  1  0.848287  0.358453  0.407006  1
  Nb  Nb37  1  0.694804  0.653300  0.501156  1
  Nb  Nb38  1  0.802749  0.156128  0.500317  1
  Nb  Nb39  1  0.667712  0.419245  0.600337  1
  Nb  Nb40  1  0.793822  0.921821  0.597076  1
