# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66738553
_cell_length_b   7.36017345
_cell_length_c   48.55864277
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb40
_cell_volume   1582.52113391
_cell_formula_units_Z   40
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  0.554940  0.361360  0.281321  1
  Nb  Nb2  1  0.857675  0.790982  0.301753  1
  Nb  Nb3  1  0.228677  0.550643  0.288286  1
  Nb  Nb4  1  0.403439  0.982849  0.311176  1
  Nb  Nb5  1  0.022182  0.210219  0.322258  1
  Nb  Nb6  1  0.276059  0.650362  0.344923  1
  Nb  Nb7  1  0.659526  0.434005  0.334602  1
  Nb  Nb8  1  0.872835  0.878059  0.357096  1
  Nb  Nb9  1  0.482338  0.097631  0.368300  1
  Nb  Nb10  1  0.713705  0.543470  0.391430  1
  Nb  Nb11  1  0.099561  0.319939  0.379576  1
  Nb  Nb12  1  0.320179  0.764854  0.402412  1
  Nb  Nb13  1  0.930860  0.988093  0.414165  1
  Nb  Nb14  1  0.155783  0.432385  0.436793  1
  Nb  Nb15  1  0.543541  0.209784  0.425320  1
  Nb  Nb16  1  0.765926  0.654760  0.448273  1
  Nb  Nb17  1  0.376499  0.876898  0.459600  1
  Nb  Nb18  1  0.599760  0.321659  0.482430  1
  Nb  Nb19  1  0.988270  0.099538  0.471064  1
  Nb  Nb20  1  0.210848  0.544083  0.493844  1
  Nb  Nb21  1  0.821694  0.766433  0.505275  1
  Nb  Nb22  1  0.044272  0.210978  0.528055  1
  Nb  Nb23  1  0.432782  0.988858  0.516689  1
  Nb  Nb24  1  0.656043  0.433619  0.539518  1
  Nb  Nb25  1  0.266616  0.655756  0.550845  1
  Nb  Nb26  1  0.489001  0.100733  0.573798  1
  Nb  Nb27  1  0.876759  0.878131  0.562325  1
  Nb  Nb28  1  0.101682  0.322424  0.584954  1
  Nb  Nb29  1  0.712363  0.545663  0.596707  1
  Nb  Nb30  1  0.932981  0.990577  0.619542  1
  Nb  Nb31  1  0.318837  0.767046  0.607689  1
  Nb  Nb32  1  0.550204  0.212885  0.630818  1
  Nb  Nb33  1  0.159707  0.432457  0.642023  1
  Nb  Nb34  1  0.373016  0.876511  0.664516  1
  Nb  Nb35  1  0.756483  0.660155  0.654196  1
  Nb  Nb36  1  0.010360  0.100298  0.676861  1
  Nb  Nb37  1  0.629103  0.327668  0.687943  1
  Nb  Nb38  1  0.803865  0.759873  0.710833  1
  Nb  Nb39  1  0.174867  0.519535  0.697366  1
  Nb  Nb40  1  0.477602  0.949157  0.717798  1
