# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.36311156
_cell_length_b   14.64452043
_cell_length_c   57.98859857
_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   2006.79029147
_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  0.501365  0.682420  0.335322  1
  Ti  Ti2  1  0.561518  0.948870  0.277734  1
  Ti  Ti3  1  0.956089  0.100668  0.256009  1
  Ti  Ti4  1  0.831774  0.833773  0.315256  1
  Ti  Ti5  1  0.464453  0.231115  0.283650  1
  Ti  Ti6  1  0.584507  0.565137  0.220917  1
  Ti  Ti7  1  1.087450  0.287867  0.325476  1
  Ti  Ti8  1  1.099689  0.509473  0.261671  1
  Ti  Ti9  1  0.592044  0.403823  0.294189  1
  Ti  Ti10  1  0.619828  0.755036  0.213114  1
  Ti  Ti11  1  1.085166  0.561234  0.307510  1
  Ti  Ti12  1  1.119735  0.876471  0.243442  1
  Ti  Ti13  1  0.569279  0.129603  0.484150  1
  Ti  Ti14  1  0.669194  0.402238  0.425307  1
  Ti  Ti15  1  0.977795  0.546171  0.400129  1
  Ti  Ti16  1  0.874435  0.299763  0.465354  1
  Ti  Ti17  1  0.416031  0.677420  0.423831  1
  Ti  Ti18  1  0.279088  0.921685  0.348883  1
  Ti  Ti19  1  0.960313  0.799198  0.449842  1
  Ti  Ti20  1  0.822203  0.026510  0.380428  1
  Ti  Ti21  1  0.536477  0.922964  0.419891  1
  Ti  Ti22  1  0.633357  0.200448  0.363687  1
  Ti  Ti23  1  1.052840  0.001710  0.454876  1
  Ti  Ti24  1  1.174554  0.327218  0.389747  1
  Ti  Ti25  1  0.339996  0.622738  0.627303  1
  Ti  Ti26  1  0.544009  0.887838  0.565815  1
  Ti  Ti27  1  0.967114  0.025496  0.539558  1
  Ti  Ti28  1  0.369095  0.799443  0.607652  1
  Ti  Ti29  1  0.429407  0.141484  0.567322  1
  Ti  Ti30  1  0.341576  0.408225  0.495472  1
  Ti  Ti31  1  0.899282  0.276252  0.591886  1
  Ti  Ti32  1  0.895860  0.512369  0.526013  1
  Ti  Ti33  1  0.356384  0.411652  0.563954  1
  Ti  Ti34  1  0.528327  0.667845  0.507366  1
  Ti  Ti35  1  0.847304  0.457596  0.607548  1
  Ti  Ti36  1  1.037011  0.778054  0.537968  1
  Nb  Nb37  1  0.621668  0.003018  0.207892  1
  Nb  Nb38  1  0.530423  0.705599  0.272250  1
  Nb  Nb39  1  0.736866  0.330028  0.238091  1
  Nb  Nb40  1  0.845265  0.078699  0.317893  1
  Nb  Nb41  1  0.688050  0.458135  0.352948  1
  Nb  Nb42  1  0.613706  0.161920  0.423471  1
  Nb  Nb43  1  0.846770  0.777663  0.381844  1
  Nb  Nb44  1  0.921257  0.553832  0.462623  1
  Nb  Nb45  1  0.653469  0.898256  0.497279  1
  Nb  Nb46  1  0.580345  0.630228  0.571062  1
  Nb  Nb47  1  0.884779  0.260520  0.527731  1
  Nb  Nb48  1  0.909842  0.026759  0.605782  1
