# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28364767
_cell_length_b   11.82879456
_cell_length_c   49.97198123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb48
_cell_volume   1940.99138903
_cell_formula_units_Z   48
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  0.966144  0.448887  0.315288  1
  Nb  Nb2  1  0.935284  0.212192  0.279516  1
  Nb  Nb3  1  0.078427  0.825416  0.296915  1
  Nb  Nb4  1  0.485946  0.261389  0.325405  1
  Nb  Nb5  1  0.580443  0.038978  0.286704  1
  Nb  Nb6  1  0.452447  0.649361  0.305070  1
  Nb  Nb7  1  0.996484  0.297429  0.371067  1
  Nb  Nb8  1  0.022981  0.065496  0.334201  1
  Nb  Nb9  1  0.995883  0.682313  0.352094  1
  Nb  Nb10  1  0.509547  0.104674  0.380299  1
  Nb  Nb11  1  0.526463  0.876025  0.342235  1
  Nb  Nb12  1  0.494401  0.490721  0.359780  1
  Nb  Nb13  1  0.005499  0.144148  0.426439  1
  Nb  Nb14  1  0.011614  0.912498  0.389198  1
  Nb  Nb15  1  0.999788  0.528760  0.407151  1
  Nb  Nb16  1  0.506637  0.951534  0.435584  1
  Nb  Nb17  1  0.501784  0.720546  0.398134  1
  Nb  Nb18  1  0.500972  0.337552  0.416821  1
  Nb  Nb19  1  0.005076  0.990754  0.481919  1
  Nb  Nb20  1  1.003546  0.759525  0.444675  1
  Nb  Nb21  1  1.002347  0.375969  0.463168  1
  Nb  Nb22  1  0.504219  0.798735  0.491143  1
  Nb  Nb23  1  0.502193  0.567882  0.453728  1
  Nb  Nb24  1  0.504109  0.183408  0.472561  1
  Nb  Nb25  1  0.005192  0.837839  0.537670  1
  Nb  Nb26  1  1.003167  0.606986  0.500254  1
  Nb  Nb27  1  1.003276  0.222313  0.518837  1
  Nb  Nb28  1  0.503839  0.646196  0.546722  1
  Nb  Nb29  1  0.502310  0.414967  0.509478  1
  Nb  Nb30  1  0.505039  0.029752  0.528230  1
  Nb  Nb31  1  0.005601  0.685175  0.593263  1
  Nb  Nb32  1  1.000748  0.454187  0.555813  1
  Nb  Nb33  1  0.006413  0.068169  0.574576  1
  Nb  Nb34  1  0.495772  0.493223  0.602200  1
  Nb  Nb35  1  0.501886  0.261574  0.564959  1
  Nb  Nb36  1  0.507597  0.876961  0.584246  1
  Nb  Nb37  1  0.980922  0.529696  0.649163  1
  Nb  Nb38  1  0.997838  0.301047  0.611098  1
  Nb  Nb39  1  0.012984  0.915000  0.631618  1
  Nb  Nb40  1  0.484405  0.340225  0.657196  1
  Nb  Nb41  1  0.510902  0.108292  0.620330  1
  Nb  Nb42  1  0.511502  0.723409  0.639303  1
  Nb  Nb43  1  0.926942  0.366743  0.704693  1
  Nb  Nb44  1  0.021439  0.144332  0.665992  1
  Nb  Nb45  1  0.054939  0.756360  0.686328  1
  Nb  Nb46  1  0.572102  0.193530  0.711882  1
  Nb  Nb47  1  0.541242  0.956834  0.676109  1
  Nb  Nb48  1  0.428959  0.580305  0.694482  1
