# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05455928
_cell_length_b   8.68177237
_cell_length_c   50.33945946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti48 Nb16'
_cell_volume   2510.27171936
_cell_formula_units_Z   16
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  0.657731  0.521302  0.336164  1
  Ti  Ti2  1  0.231161  0.129779  0.272875  1
  Ti  Ti3  1  0.076036  0.666382  0.326760  1
  Ti  Ti4  1  0.834188  0.139835  0.289904  1
  Ti  Ti5  1  0.562342  0.292852  0.305032  1
  Ti  Ti6  1  0.921843  0.864955  0.296951  1
  Ti  Ti7  1  0.927183  0.399654  0.363125  1
  Ti  Ti8  1  0.550489  0.783138  0.331965  1
  Ti  Ti9  1  0.505170  0.373743  0.383918  1
  Ti  Ti10  1  0.387860  0.944151  0.298550  1
  Ti  Ti11  1  0.164335  0.376442  0.321657  1
  Ti  Ti12  1  0.348141  0.586552  0.364105  1
  Ti  Ti13  1  0.283173  0.382975  0.453986  1
  Ti  Ti14  1  0.304489  0.108267  0.427058  1
  Ti  Ti15  1  0.119842  0.292261  0.405765  1
  Ti  Ti16  1  0.526199  0.854323  0.393809  1
  Ti  Ti17  1  0.673633  0.155767  0.401920  1
  Ti  Ti18  1  0.402977  0.585620  0.417304  1
  Ti  Ti19  1  0.988028  0.365851  0.528867  1
  Ti  Ti20  1  0.462651  0.854341  0.441583  1
  Ti  Ti21  1  0.366602  0.394875  0.504559  1
  Ti  Ti22  1  0.080492  0.848539  0.459431  1
  Ti  Ti23  1  0.868281  1.006333  0.431842  1
  Ti  Ti24  1  0.166975  0.599002  0.488795  1
  Ti  Ti25  1  0.159990  0.131947  0.529909  1
  Ti  Ti26  1  0.968872  0.832689  0.502206  1
  Ti  Ti27  1  0.579347  0.281285  0.548499  1
  Ti  Ti28  1  0.580686  0.673705  0.472185  1
  Ti  Ti29  1  0.124802  0.117102  0.477422  1
  Ti  Ti30  1  0.775051  0.557519  0.518202  1
  Ti  Ti31  1  0.708011  0.262174  0.595163  1
  Ti  Ti32  1  0.838864  0.819914  0.595236  1
  Ti  Ti33  1  0.291972  1.028728  0.576560  1
  Ti  Ti34  1  0.859508  0.545732  0.571326  1
  Ti  Ti35  1  0.990148  0.828762  0.550868  1
  Ti  Ti36  1  0.870614  0.099358  0.565170  1
  Ti  Ti37  1  0.722339  0.255422  0.646592  1
  Ti  Ti38  1  0.196521  0.754225  0.610123  1
  Ti  Ti39  1  0.568993  0.954110  0.659977  1
  Ti  Ti40  1  0.541562  0.700960  0.637134  1
  Ti  Ti41  1  0.588534  0.983717  0.610462  1
  Ti  Ti42  1  0.795149  0.534722  0.623371  1
  Ti  Ti43  1  0.426099  0.693754  0.689939  1
  Ti  Ti44  1  0.135742  0.539901  0.651639  1
  Ti  Ti45  1  0.597439  0.922231  0.721486  1
  Ti  Ti46  1  0.956008  0.414046  0.692970  1
  Ti  Ti47  1  0.571475  0.465079  0.671265  1
  Ti  Ti48  1  0.651857  0.155627  0.696401  1
  Nb  Nb49  1  0.152263  0.563933  0.272628  1
  Nb  Nb50  1  0.523667  0.605445  0.271266  1
  Nb  Nb51  1  0.326451  0.076815  0.353197  1
  Nb  Nb52  1  0.031093  0.872305  0.375427  1
  Nb  Nb53  1  0.931290  0.075562  0.351183  1
  Nb  Nb54  1  0.935506  0.665369  0.406634  1
  Nb  Nb55  1  0.719639  0.262628  0.468019  1
  Nb  Nb56  1  0.842575  0.487005  0.441280  1
  Nb  Nb57  1  0.608502  0.056865  0.497617  1
  Nb  Nb58  1  0.389650  0.646738  0.557915  1
  Nb  Nb59  1  0.490096  0.860873  0.529199  1
  Nb  Nb60  1  0.290536  0.437279  0.587157  1
  Nb  Nb61  1  0.090221  1.001482  0.641068  1
  Nb  Nb62  1  0.205057  0.258681  0.622023  1
  Nb  Nb63  1  0.019968  0.841116  0.679754  1
  Nb  Nb64  1  0.167684  0.129129  0.680793  1
