# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42580631
_cell_length_b   5.42570646
_cell_length_c   56.32262938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti27 Nb9'
_cell_volume   1435.93285584
_cell_formula_units_Z   9
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  0.226855  0.648024  0.240517  1
  Ti  Ti2  1  0.650757  0.409222  0.214917  1
  Ti  Ti3  1  0.713916  0.127167  0.249517  1
  Ti  Ti4  1  0.232232  0.148207  0.249513  1
  Ti  Ti5  1  0.911183  1.009783  0.287644  1
  Ti  Ti6  1  0.728454  0.650823  0.253007  1
  Ti  Ti7  1  0.744669  0.851737  0.333894  1
  Ti  Ti8  1  0.169532  0.790368  0.343824  1
  Ti  Ti9  1  0.219995  0.303585  0.340287  1
  Ti  Ti10  1  0.103847  0.468622  0.376602  1
  Ti  Ti11  1  0.638383  0.594601  0.371472  1
  Ti  Ti12  1  0.694340  0.253352  0.346491  1
  Ti  Ti13  1  0.588333  0.578767  0.421210  1
  Ti  Ti14  1  1.035094  0.440058  0.422156  1
  Ti  Ti15  1  0.859798  0.672972  0.455887  1
  Ti  Ti16  1  0.619886  0.885880  0.484528  1
  Ti  Ti17  1  0.111798  0.919663  0.494869  1
  Ti  Ti18  1  0.149671  0.303133  0.457343  1
  Ti  Ti19  1  0.084075  0.418451  0.495528  1
  Ti  Ti20  1  0.580854  0.382894  0.490429  1
  Ti  Ti21  1  0.661767  0.080792  0.523832  1
  Ti  Ti22  1  0.586127  0.377426  0.591893  1
  Ti  Ti23  1  0.655066  1.017873  0.572187  1
  Ti  Ti24  1  0.096248  0.899747  0.588825  1
  Ti  Ti25  1  0.554157  0.837032  0.611287  1
  Ti  Ti26  1  0.171027  0.124642  0.627313  1
  Ti  Ti27  1  0.123660  0.401979  0.589615  1
  Nb  Nb28  1  0.966227  0.045551  0.204233  1
  Nb  Nb29  1  0.212519  0.638899  0.296598  1
  Nb  Nb30  1  0.566241  0.323680  0.296816  1
  Nb  Nb31  1  0.099306  0.999004  0.397244  1
  Nb  Nb32  1  0.534746  1.023259  0.398896  1
  Nb  Nb33  1  0.443177  1.011770  0.440048  1
  Nb  Nb34  1  0.985915  0.738885  0.541574  1
  Nb  Nb35  1  0.384286  0.458875  0.541097  1
  Nb  Nb36  1  0.859783  0.472805  0.636866  1
