# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23845129
_cell_length_b   7.31145227
_cell_length_c   47.68206986
_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   Nb28
_cell_volume   1129.00565643
_cell_formula_units_Z   28
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  0.994888  0.452660  0.311870  1
  Nb  Nb2  1  0.338198  0.084419  0.290457  1
  Nb  Nb3  1  0.626760  0.181306  0.334475  1
  Nb  Nb4  1  0.623381  0.777105  0.299491  1
  Nb  Nb5  1  0.035354  0.276783  0.378890  1
  Nb  Nb6  1  0.014769  0.868357  0.343304  1
  Nb  Nb7  1  0.505766  0.969604  0.393069  1
  Nb  Nb8  1  0.484205  0.571443  0.359356  1
  Nb  Nb9  1  0.009839  0.075687  0.440403  1
  Nb  Nb10  1  1.004327  0.677619  0.407787  1
  Nb  Nb11  1  0.508333  0.777289  0.455869  1
  Nb  Nb12  1  0.512924  0.378613  0.424458  1
  Nb  Nb13  1  1.009125  0.879615  0.503158  1
  Nb  Nb14  1  0.009849  0.479350  0.471468  1
  Nb  Nb15  1  0.509172  0.579908  0.518977  1
  Nb  Nb16  1  0.509896  0.179643  0.487288  1
  Nb  Nb17  1  1.006097  0.680645  0.565988  1
  Nb  Nb18  1  0.010688  0.281969  0.534576  1
  Nb  Nb19  1  0.514695  0.381639  0.582659  1
  Nb  Nb20  1  0.509183  0.983570  0.550042  1
  Nb  Nb21  1  0.034817  0.487815  0.631089  1
  Nb  Nb22  1  0.013255  0.089653  0.597377  1
  Nb  Nb23  1  0.504252  0.190901  0.647142  1
  Nb  Nb24  1  0.483668  0.782475  0.611555  1
  Nb  Nb25  1  0.895640  0.282153  0.690954  1
  Nb  Nb26  1  0.892261  0.877952  0.655971  1
  Nb  Nb27  1  0.180824  0.974838  0.699988  1
  Nb  Nb28  1  0.524134  0.606598  0.678575  1
