# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27038420
_cell_length_b   10.41689307
_cell_length_c   46.89739121
_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   1597.66479754
_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  1.004536  0.187128  0.321238  1
  Nb  Nb2  1  1.004536  0.895001  0.299112  1
  Nb  Nb3  1  1.004536  0.597886  0.283561  1
  Nb  Nb4  1  0.504536  0.097886  0.283561  1
  Nb  Nb5  1  0.504536  0.687128  0.321238  1
  Nb  Nb6  1  0.504536  0.395001  0.299112  1
  Nb  Nb7  1  1.004536  0.083170  0.388761  1
  Nb  Nb8  1  1.004536  0.782332  0.365977  1
  Nb  Nb9  1  1.004536  0.480922  0.344271  1
  Nb  Nb10  1  0.504536  0.980922  0.344271  1
  Nb  Nb11  1  0.504536  0.583170  0.388761  1
  Nb  Nb12  1  0.504536  0.282332  0.365977  1
  Nb  Nb13  1  1.004536  0.983728  0.455890  1
  Nb  Nb14  1  1.004536  0.683544  0.433431  1
  Nb  Nb15  1  1.004536  0.383040  0.411191  1
  Nb  Nb16  1  0.504536  0.883040  0.411191  1
  Nb  Nb17  1  0.504536  0.483728  0.455890  1
  Nb  Nb18  1  0.504536  0.183544  0.433431  1
  Nb  Nb19  1  1.004536  0.884548  0.523051  1
  Nb  Nb20  1  1.004536  0.584235  0.500673  1
  Nb  Nb21  1  1.004536  0.283922  0.478296  1
  Nb  Nb22  1  0.504536  0.783922  0.478296  1
  Nb  Nb23  1  0.504536  0.384548  0.523051  1
  Nb  Nb24  1  0.504536  0.084235  0.500673  1
  Nb  Nb25  1  1.004536  0.785430  0.590156  1
  Nb  Nb26  1  1.004536  0.484926  0.567916  1
  Nb  Nb27  1  1.004536  0.184742  0.545457  1
  Nb  Nb28  1  0.504536  0.684742  0.545457  1
  Nb  Nb29  1  0.504536  0.285430  0.590156  1
  Nb  Nb30  1  0.504536  0.984926  0.567916  1
  Nb  Nb31  1  1.004536  0.687548  0.657076  1
  Nb  Nb32  1  1.004536  0.386138  0.635370  1
  Nb  Nb33  1  1.004536  0.085301  0.612586  1
  Nb  Nb34  1  0.504536  0.585301  0.612586  1
  Nb  Nb35  1  0.504536  0.187548  0.657076  1
  Nb  Nb36  1  0.504536  0.886138  0.635370  1
  Nb  Nb37  1  1.004536  0.570584  0.717785  1
  Nb  Nb38  1  1.004536  0.273469  0.702235  1
  Nb  Nb39  1  1.004536  0.981342  0.680109  1
  Nb  Nb40  1  0.504536  0.481342  0.680109  1
  Nb  Nb41  1  0.504536  0.070584  0.717785  1
  Nb  Nb42  1  0.504536  0.773469  0.702235  1
