# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25033334
_cell_length_b   11.83113576
_cell_length_c   49.75074646
_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   Nb48
_cell_volume   1913.17166949
_cell_formula_units_Z   48
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  0.970668  0.440072  0.312860  1
  Nb  Nb2  1  0.333148  0.226908  0.285426  1
  Nb  Nb3  1  0.125078  0.829761  0.298937  1
  Nb  Nb4  1  0.619447  0.263171  0.329231  1
  Nb  Nb5  1  0.647270  0.037106  0.288932  1
  Nb  Nb6  1  0.501520  0.643111  0.306321  1
  Nb  Nb7  1  0.033647  0.297788  0.373270  1
  Nb  Nb8  1  0.029592  0.067580  0.332351  1
  Nb  Nb9  1  0.984253  0.676533  0.350289  1
  Nb  Nb10  1  0.515258  0.100968  0.381072  1
  Nb  Nb11  1  0.520514  0.873741  0.341808  1
  Nb  Nb12  1  0.480664  0.488163  0.360420  1
  Nb  Nb13  1  0.011548  0.140853  0.427384  1
  Nb  Nb14  1  0.010954  0.910253  0.388884  1
  Nb  Nb15  1  1.000096  0.530123  0.407768  1
  Nb  Nb16  1  0.508969  0.948897  0.436162  1
  Nb  Nb17  1  0.500397  0.719517  0.397927  1
  Nb  Nb18  1  0.511786  0.336598  0.418150  1
  Nb  Nb19  1  0.008232  0.988714  0.482958  1
  Nb  Nb20  1  1.005810  0.758810  0.445110  1
  Nb  Nb21  1  0.007942  0.375117  0.464073  1
  Nb  Nb22  1  0.507830  0.797094  0.492159  1
  Nb  Nb23  1  0.505464  0.567876  0.454491  1
  Nb  Nb24  1  0.508626  0.181470  0.473585  1
  Nb  Nb25  1  0.009832  0.835254  0.538953  1
  Nb  Nb26  1  1.007466  0.606036  0.501285  1
  Nb  Nb27  1  1.006670  0.221660  0.519859  1
  Nb  Nb28  1  0.509486  0.644320  0.548334  1
  Nb  Nb29  1  0.507064  0.414416  0.510486  1
  Nb  Nb30  1  0.507354  0.028013  0.529370  1
  Nb  Nb31  1  0.014899  0.683613  0.595517  1
  Nb  Nb32  1  1.006327  0.454233  0.557282  1
  Nb  Nb33  1  1.003510  0.066532  0.575294  1
  Nb  Nb34  1  0.504342  0.492877  0.604559  1
  Nb  Nb35  1  0.503748  0.262277  0.566059  1
  Nb  Nb36  1  0.515200  0.873007  0.585676  1
  Nb  Nb37  1  0.994783  0.529390  0.651636  1
  Nb  Nb38  1  1.000039  0.302162  0.612372  1
  Nb  Nb39  1  0.034632  0.914967  0.633024  1
  Nb  Nb40  1  0.485704  0.335551  0.661093  1
  Nb  Nb41  1  0.481649  0.105342  0.620174  1
  Nb  Nb42  1  0.531043  0.726597  0.643155  1
  Nb  Nb43  1  0.868027  0.366024  0.704511  1
  Nb  Nb44  1  0.895849  0.139959  0.664213  1
  Nb  Nb45  1  0.013776  0.760019  0.687122  1
  Nb  Nb46  1  0.182148  0.176222  0.708018  1
  Nb  Nb47  1  0.544628  0.963058  0.680584  1
  Nb  Nb48  1  0.390219  0.573369  0.694507  1
