# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28627312
_cell_length_b   10.36401955
_cell_length_c   47.47332761
_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   Nb42
_cell_volume   1616.89401192
_cell_formula_units_Z   42
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  0.038156  0.183547  0.318708  1
  Nb  Nb2  1  0.954786  0.889670  0.292803  1
  Nb  Nb3  1  0.906570  0.577637  0.276004  1
  Nb  Nb4  1  0.600011  0.077637  0.276004  1
  Nb  Nb5  1  0.468425  0.683547  0.318708  1
  Nb  Nb6  1  0.551795  0.389670  0.292803  1
  Nb  Nb7  1  0.004564  0.084942  0.384717  1
  Nb  Nb8  1  0.991710  0.785738  0.361771  1
  Nb  Nb9  1  0.006144  0.483820  0.340410  1
  Nb  Nb10  1  0.500437  0.983820  0.340410  1
  Nb  Nb11  1  0.502016  0.584942  0.384717  1
  Nb  Nb12  1  0.514871  0.285738  0.361771  1
  Nb  Nb13  1  1.002293  0.986826  0.451323  1
  Nb  Nb14  1  1.002782  0.686431  0.428940  1
  Nb  Nb15  1  0.006514  0.385558  0.406831  1
  Nb  Nb16  1  0.500067  0.885558  0.406831  1
  Nb  Nb17  1  0.504287  0.486826  0.451323  1
  Nb  Nb18  1  0.503798  0.186431  0.428940  1
  Nb  Nb19  1  0.003451  0.888572  0.518030  1
  Nb  Nb20  1  0.003803  0.587988  0.495776  1
  Nb  Nb21  1  0.003451  0.287404  0.473521  1
  Nb  Nb22  1  0.503130  0.787404  0.473521  1
  Nb  Nb23  1  0.503130  0.388572  0.518030  1
  Nb  Nb24  1  0.502777  0.087988  0.495776  1
  Nb  Nb25  1  0.006514  0.790417  0.584720  1
  Nb  Nb26  1  1.002782  0.489544  0.562611  1
  Nb  Nb27  1  1.002293  0.189150  0.540228  1
  Nb  Nb28  1  0.504287  0.689150  0.540228  1
  Nb  Nb29  1  0.500067  0.290417  0.584720  1
  Nb  Nb30  1  0.503798  0.989544  0.562611  1
  Nb  Nb31  1  0.006144  0.692155  0.651141  1
  Nb  Nb32  1  0.991710  0.390237  0.629780  1
  Nb  Nb33  1  0.004564  0.091034  0.606834  1
  Nb  Nb34  1  0.502016  0.591034  0.606834  1
  Nb  Nb35  1  0.500437  0.192155  0.651141  1
  Nb  Nb36  1  0.514871  0.890237  0.629780  1
  Nb  Nb37  1  0.906570  0.598338  0.715547  1
  Nb  Nb38  1  0.954786  0.286306  0.698748  1
  Nb  Nb39  1  0.038156  0.992428  0.672843  1
  Nb  Nb40  1  0.468425  0.492428  0.672843  1
  Nb  Nb41  1  0.600011  0.098338  0.715547  1
  Nb  Nb42  1  0.551795  0.786306  0.698748  1
