# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28912707
_cell_length_b   14.68229364
_cell_length_c   58.12497088
_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   Nb72
_cell_volume   2806.96699742
_cell_formula_units_Z   72
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  0.162475  0.046012  0.246499  1
  Nb  Nb2  1  1.062465  0.741157  0.222201  1
  Nb  Nb3  1  0.150520  0.350003  0.274826  1
  Nb  Nb4  1  0.631117  0.200320  0.261966  1
  Nb  Nb5  1  0.547894  0.908158  0.236118  1
  Nb  Nb6  1  0.716791  0.603702  0.212462  1
  Nb  Nb7  1  0.629197  0.000589  0.286647  1
  Nb  Nb8  1  0.616059  0.701279  0.262113  1
  Nb  Nb9  1  0.699560  0.394334  0.234015  1
  Nb  Nb10  1  1.066770  0.256493  0.224946  1
  Nb  Nb11  1  1.103663  0.850384  0.273499  1
  Nb  Nb12  1  0.166063  0.549355  0.250092  1
  Nb  Nb13  1  1.129851  -0.050455  0.325205  1
  Nb  Nb14  1  1.130285  0.650680  0.300385  1
  Nb  Nb15  1  0.135488  0.248573  0.351165  1
  Nb  Nb16  1  0.632453  0.098903  0.338250  1
  Nb  Nb17  1  0.622675  0.800683  0.312695  1
  Nb  Nb18  1  0.648289  0.498843  0.287032  1
  Nb  Nb19  1  0.631106  0.899117  0.364000  1
  Nb  Nb20  1  0.632490  0.599521  0.338505  1
  Nb  Nb21  1  0.639496  0.299426  0.312947  1
  Nb  Nb22  1  0.132315  0.148501  0.299498  1
  Nb  Nb23  1  1.129242  0.749711  0.351318  1
  Nb  Nb24  1  0.139227  0.449584  0.325821  1
  Nb  Nb25  1  0.132144  0.848505  0.402604  1
  Nb  Nb26  1  0.133057  0.548931  0.376993  1
  Nb  Nb27  1  0.133070  0.147790  0.428183  1
  Nb  Nb28  1  0.632726  -0.001880  0.415386  1
  Nb  Nb29  1  0.631664  0.698769  0.389788  1
  Nb  Nb30  1  0.635479  0.398842  0.364156  1
  Nb  Nb31  1  0.632918  0.797877  0.441117  1
  Nb  Nb32  1  0.632959  0.498140  0.415419  1
  Nb  Nb33  1  0.633787  0.198264  0.389665  1
  Nb  Nb34  1  0.132532  0.048500  0.376790  1
  Nb  Nb35  1  0.132579  0.648050  0.428274  1
  Nb  Nb36  1  0.133809  0.348152  0.402537  1
  Nb  Nb37  1  0.133809  0.747291  0.479595  1
  Nb  Nb38  1  0.132579  0.447393  0.453858  1
  Nb  Nb39  1  0.132532  0.046943  0.505342  1
  Nb  Nb40  1  0.633787  0.897179  0.492467  1
  Nb  Nb41  1  0.632959  0.597303  0.466714  1
  Nb  Nb42  1  0.632918  0.297566  0.441016  1
  Nb  Nb43  1  0.635479  0.696601  0.517976  1
  Nb  Nb44  1  0.631664  0.396674  0.492345  1
  Nb  Nb45  1  0.632726  0.097323  0.466746  1
  Nb  Nb46  1  0.133070  0.947653  0.453949  1
  Nb  Nb47  1  0.133057  0.546512  0.505139  1
  Nb  Nb48  1  0.132144  0.246938  0.479528  1
  Nb  Nb49  1  0.139227  0.645859  0.556311  1
  Nb  Nb50  1  1.129242  0.345732  0.530814  1
  Nb  Nb51  1  0.132315  0.946942  0.582635  1
  Nb  Nb52  1  0.639496  0.796017  0.569185  1
  Nb  Nb53  1  0.632490  0.495922  0.543627  1
  Nb  Nb54  1  0.631106  0.196326  0.518132  1
  Nb  Nb55  1  0.648289  0.596600  0.595100  1
  Nb  Nb56  1  0.622675  0.294760  0.569437  1
  Nb  Nb57  1  0.632453  -0.003460  0.543882  1
  Nb  Nb58  1  0.135488  0.846870  0.530967  1
  Nb  Nb59  1  1.130285  0.444763  0.581747  1
  Nb  Nb60  1  1.129851  0.145898  0.556927  1
  Nb  Nb61  1  0.166063  0.546087  0.632040  1
  Nb  Nb62  1  1.103663  0.245059  0.608633  1
  Nb  Nb63  1  1.066770  0.838950  0.657186  1
  Nb  Nb64  1  0.699560  0.701109  0.648118  1
  Nb  Nb65  1  0.616059  0.394164  0.620019  1
  Nb  Nb66  1  0.629197  0.094854  0.595485  1
  Nb  Nb67  1  0.716791  0.491741  0.669671  1
  Nb  Nb68  1  0.547894  0.187285  0.646014  1
  Nb  Nb69  1  0.631117  0.895123  0.620166  1
  Nb  Nb70  1  0.150520  0.745439  0.607306  1
  Nb  Nb71  1  1.062465  0.354286  0.659932  1
  Nb  Nb72  1  0.162475  0.049431  0.635634  1
