# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64759276
_cell_length_b   10.40080228
_cell_length_c   45.78827485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb54
_cell_volume   2157.30221984
_cell_formula_units_Z   54
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  0.023577  0.736789  0.280101  1
  Nb  Nb2  1  0.261498  0.047002  0.293431  1
  Nb  Nb3  1  0.348338  0.351942  0.310646  1
  Nb  Nb4  1  0.667044  0.870497  0.283871  1
  Nb  Nb5  1  0.763848  0.179924  0.300580  1
  Nb  Nb6  1  0.966860  0.489948  0.317601  1
  Nb  Nb7  1  0.535262  0.653569  0.325356  1
  Nb  Nb8  1  0.711720  0.968904  0.341662  1
  Nb  Nb9  1  0.844265  0.285785  0.359720  1
  Nb  Nb10  1  0.131190  0.814589  0.334736  1
  Nb  Nb11  1  0.269658  0.131881  0.351174  1
  Nb  Nb12  1  0.434787  0.446498  0.367847  1
  Nb  Nb13  1  0.012787  0.602826  0.375829  1
  Nb  Nb14  1  0.176191  0.919651  0.392866  1
  Nb  Nb15  1  0.325306  0.235024  0.409775  1
  Nb  Nb16  1  0.596639  0.760533  0.384080  1
  Nb  Nb17  1  0.747676  0.075919  0.400982  1
  Nb  Nb18  1  0.907005  0.392789  0.417872  1
  Nb  Nb19  1  0.487581  0.551209  0.426249  1
  Nb  Nb20  1  0.646577  0.866493  0.442863  1
  Nb  Nb21  1  0.801136  0.182284  0.459602  1
  Nb  Nb22  1  0.067918  0.708677  0.434345  1
  Nb  Nb23  1  0.223183  0.024460  0.451325  1
  Nb  Nb24  1  0.381220  0.340514  0.468030  1
  Nb  Nb25  1  0.961238  0.498446  0.476325  1
  Nb  Nb26  1  0.119420  0.814168  0.492985  1
  Nb  Nb27  1  0.275410  0.129963  0.509777  1
  Nb  Nb28  1  0.541038  0.656478  0.484649  1
  Nb  Nb29  1  0.697029  0.972273  0.501441  1
  Nb  Nb30  1  0.855210  0.287995  0.518101  1
  Nb  Nb31  1  0.435228  0.445927  0.526395  1
  Nb  Nb32  1  0.593266  0.761981  0.543101  1
  Nb  Nb33  1  0.748530  0.077764  0.560080  1
  Nb  Nb34  1  0.015312  0.604157  0.534824  1
  Nb  Nb35  1  0.169871  0.919948  0.551563  1
  Nb  Nb36  1  0.328867  0.235232  0.568177  1
  Nb  Nb37  1  0.909443  0.393652  0.576554  1
  Nb  Nb38  1  0.068773  0.710522  0.593444  1
  Nb  Nb39  1  0.219809  0.025908  0.610346  1
  Nb  Nb40  1  0.491142  0.551417  0.584651  1
  Nb  Nb41  1  0.640258  0.866790  0.601560  1
  Nb  Nb42  1  0.803661  0.183615  0.618597  1
  Nb  Nb43  1  0.381661  0.339943  0.626579  1
  Nb  Nb44  1  0.546790  0.654560  0.643251  1
  Nb  Nb45  1  0.685258  0.971852  0.659690  1
  Nb  Nb46  1  0.972184  0.500656  0.634706  1
  Nb  Nb47  1  0.104729  0.817537  0.652764  1
  Nb  Nb48  1  0.281186  0.132872  0.669070  1
  Nb  Nb49  1  0.849588  0.296493  0.676825  1
  Nb  Nb50  1  0.052600  0.606517  0.693846  1
  Nb  Nb51  1  0.149405  0.915944  0.710554  1
  Nb  Nb52  1  0.468111  0.434499  0.683779  1
  Nb  Nb53  1  0.554950  0.739439  0.700995  1
  Nb  Nb54  1  0.792871  0.049652  0.714324  1
