# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64531096
_cell_length_b   11.65171967
_cell_length_c   33.04015984
_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   'Ti42 Nb14'
_cell_volume   2173.3017804
_cell_formula_units_Z   14
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  0.449101  -0.042783  0.550968  1
  Ti  Ti2  1  0.687732  0.916214  0.620734  1
  Ti  Ti3  1  -0.056540  0.919994  0.549765  1
  Ti  Ti4  1  -0.056959  0.516654  0.535743  1
  Ti  Ti5  1  0.428796  0.389182  0.538789  1
  Ti  Ti6  1  0.429567  0.149345  0.525479  1
  Ti  Ti7  1  0.202815  0.920209  0.617696  1
  Ti  Ti8  1  -0.037233  0.820763  0.670163  1
  Ti  Ti9  1  -0.055631  0.742583  0.592838  1
  Ti  Ti10  1  -0.048491  0.472164  0.600954  1
  Ti  Ti11  1  0.435333  0.358592  0.607089  1
  Ti  Ti12  1  0.437306  0.107567  0.608756  1
  Ti  Ti13  1  0.433261  -0.040422  0.683360  1
  Ti  Ti14  1  0.911213  0.741218  0.730460  1
  Ti  Ti15  1  0.938006  0.596064  0.656638  1
  Ti  Ti16  1  0.169675  0.389735  0.666990  1
  Ti  Ti17  1  0.704477  0.390542  0.666068  1
  Ti  Ti18  1  0.435733  0.217706  0.678694  1
  Ti  Ti19  1  0.430721  0.856850  0.744020  1
  Ti  Ti20  1  0.939970  0.663001  0.791731  1
  Ti  Ti21  1  0.930498  0.492479  0.724597  1
  Ti  Ti22  1  0.692155  0.297450  0.739818  1
  Ti  Ti23  1  0.180797  0.298125  0.739944  1
  Ti  Ti24  1  0.431835  0.122326  0.753162  1
  Ti  Ti25  1  0.431567  0.773889  0.809792  1
  Ti  Ti26  1  0.926674  0.592579  0.853435  1
  Ti  Ti27  1  0.932140  0.399218  0.795611  1
  Ti  Ti28  1  0.168762  0.208467  0.814616  1
  Ti  Ti29  1  0.680394  0.209149  0.814568  1
  Ti  Ti30  1  0.429809  0.007165  0.818729  1
  Ti  Ti31  1  0.418148  0.696046  0.874286  1
  Ti  Ti32  1  0.925619  0.542282  0.917605  1
  Ti  Ti33  1  0.927239  0.345382  0.870758  1
  Ti  Ti34  1  0.920925  0.148840  0.883734  1
  Ti  Ti35  1  0.422129  0.129127  0.878582  1
  Ti  Ti36  1  0.423627  0.930890  0.896081  1
  Ti  Ti37  1  0.423672  0.659352  0.943923  1
  Ti  Ti38  1  0.914042  0.513151  0.983156  1
  Ti  Ti39  1  0.919263  0.279046  0.951337  1
  Ti  Ti40  1  0.183751  0.085767  0.947916  1
  Ti  Ti41  1  0.661064  0.085482  0.948212  1
  Ti  Ti42  1  0.421522  0.895541  0.974630  1
  Nb  Nb43  1  0.930864  0.212288  0.554610  1
  Nb  Nb44  1  0.443257  0.679891  0.558564  1
  Nb  Nb45  1  0.937373  0.173615  0.619348  1
  Nb  Nb46  1  0.446509  0.659624  0.624541  1
  Nb  Nb47  1  0.933396  0.108203  0.685741  1
  Nb  Nb48  1  0.434452  0.626638  0.692240  1
  Nb  Nb49  1  0.932227  0.026611  0.747791  1
  Nb  Nb50  1  0.428904  0.533823  0.753729  1
  Nb  Nb51  1  0.930463  -0.052235  0.810707  1
  Nb  Nb52  1  0.432125  0.459528  0.817566  1
  Nb  Nb53  1  0.923582  0.878000  0.875083  1
  Nb  Nb54  1  0.426565  0.393897  0.883407  1
  Nb  Nb55  1  0.921724  0.823626  0.938836  1
  Nb  Nb56  1  0.418056  0.356932  0.948664  1
