# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59511609
_cell_length_b   7.43199486
_cell_length_c   54.04612269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb64
_cell_volume   2513.12240867
_cell_formula_units_Z   64
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
  Nb  Nb1  1  0.529473  0.896748  0.264094  1
  Nb  Nb2  1  0.743233  0.263067  0.293751  1
  Nb  Nb3  1  0.398799  0.186058  0.252231  1
  Nb  Nb4  1  0.643960  0.575950  0.277683  1
  Nb  Nb5  1  0.897261  1.101009  0.252040  1
  Nb  Nb6  1  0.148340  0.511534  0.275058  1
  Nb  Nb7  1  0.017484  0.806991  0.264151  1
  Nb  Nb8  1  0.770344  0.369321  0.242901  1
  Nb  Nb9  1  0.960166  0.641523  0.319614  1
  Nb  Nb10  1  0.158681  1.034950  0.348641  1
  Nb  Nb11  1  0.848797  0.946039  0.306790  1
  Nb  Nb12  1  0.056656  0.343632  0.334269  1
  Nb  Nb13  1  0.348130  0.918557  0.304851  1
  Nb  Nb14  1  0.554044  0.331873  0.334056  1
  Nb  Nb15  1  0.457561  0.627573  0.318557  1
  Nb  Nb16  1  0.240484  0.219083  0.292568  1
  Nb  Nb17  1  0.367863  0.433284  0.376200  1
  Nb  Nb18  1  0.575790  0.829078  0.404385  1
  Nb  Nb19  1  0.267186  0.733993  0.362084  1
  Nb  Nb20  1  0.470294  0.131129  0.390480  1
  Nb  Nb21  1  0.766187  0.729806  0.361952  1
  Nb  Nb22  1  0.970317  0.129916  0.390275  1
  Nb  Nb23  1  0.867788  0.431163  0.376170  1
  Nb  Nb24  1  0.658107  1.030836  0.348203  1
  Nb  Nb25  1  0.781737  0.226931  0.432555  1
  Nb  Nb26  1  0.989181  0.624293  0.460694  1
  Nb  Nb27  1  0.678738  0.528167  0.418474  1
  Nb  Nb28  1  0.885884  0.925626  0.446600  1
  Nb  Nb29  1  0.178855  0.527606  0.418408  1
  Nb  Nb30  1  0.385830  0.925135  0.446609  1
  Nb  Nb31  1  0.281611  0.226682  0.432534  1
  Nb  Nb32  1  0.075533  0.828125  0.404401  1
  Nb  Nb33  1  0.196777  1.021832  0.488828  1
  Nb  Nb34  1  0.402854  0.420389  0.516962  1
  Nb  Nb35  1  0.092558  0.323379  0.474754  1
  Nb  Nb36  1  0.299533  0.720908  0.502954  1
  Nb  Nb37  1  0.592504  0.322888  0.474763  1
  Nb  Nb38  1  0.799649  0.720347  0.502889  1
  Nb  Nb39  1  0.696651  1.021583  0.488807  1
  Nb  Nb40  1  0.489206  0.624221  0.460669  1
  Nb  Nb41  1  0.610599  0.817351  0.545193  1
  Nb  Nb42  1  0.820280  0.217678  0.573160  1
  Nb  Nb43  1  0.508071  1.118598  0.531088  1
  Nb  Nb44  1  0.712201  0.518708  0.559410  1
  Nb  Nb45  1  0.008094  1.117384  0.530883  1
  Nb  Nb46  1  0.211202  0.514521  0.559278  1
  Nb  Nb47  1  0.110524  0.815230  0.545163  1
  Nb  Nb48  1  0.902598  0.419436  0.516977  1
  Nb  Nb49  1  0.020827  0.620941  0.602806  1
  Nb  Nb50  1  0.237904  1.029431  0.628794  1
  Nb  Nb51  1  0.924344  0.916641  0.587306  1
  Nb  Nb52  1  0.130258  0.329957  0.616511  1
  Nb  Nb53  1  0.421732  0.904882  0.587094  1
  Nb  Nb54  1  0.629591  0.302475  0.614573  1
  Nb  Nb55  1  0.518222  0.606991  0.601749  1
  Nb  Nb56  1  0.319707  0.213564  0.572721  1
  Nb  Nb57  1  0.460904  0.441523  0.657212  1
  Nb  Nb58  1  0.708044  0.879193  0.678462  1
  Nb  Nb59  1  0.330048  0.736980  0.646305  1
  Nb  Nb60  1  0.581126  0.147505  0.669323  1
  Nb  Nb61  1  0.834428  0.672564  0.643680  1
  Nb  Nb62  1  0.079589  1.062456  0.669132  1
  Nb  Nb63  1  0.948915  0.351766  0.657269  1
  Nb  Nb64  1  0.735155  0.985447  0.627612  1
