# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65752926
_cell_length_b   10.37934912
_cell_length_c   47.53251959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb54
_cell_volume   2239.64069739
_cell_formula_units_Z   54
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  0.790994  0.731936  0.297987  1
  Nb  Nb2  1  0.976834  0.023251  0.308660  1
  Nb  Nb3  1  0.118098  0.319803  0.323563  1
  Nb  Nb4  1  0.395096  0.860777  0.300730  1
  Nb  Nb5  1  0.544440  0.167186  0.315632  1
  Nb  Nb6  1  0.692528  0.474132  0.330457  1
  Nb  Nb7  1  0.262961  0.625811  0.336407  1
  Nb  Nb8  1  0.435623  0.940644  0.351995  1
  Nb  Nb9  1  0.588221  0.259239  0.368993  1
  Nb  Nb10  1  0.856762  0.788806  0.347445  1
  Nb  Nb11  1  0.013657  0.105224  0.361683  1
  Nb  Nb12  1  0.167263  0.419989  0.377258  1
  Nb  Nb13  1  0.743379  0.574817  0.385272  1
  Nb  Nb14  1  0.908037  0.893076  0.402105  1
  Nb  Nb15  1  0.063491  0.208687  0.417710  1
  Nb  Nb16  1  0.326423  0.733052  0.394059  1
  Nb  Nb17  1  0.485112  0.049591  0.409593  1
  Nb  Nb18  1  0.641322  0.365748  0.425562  1
  Nb  Nb19  1  0.220088  0.523959  0.433670  1
  Nb  Nb20  1  0.379979  0.839921  0.449790  1
  Nb  Nb21  1  0.537334  0.155992  0.465615  1
  Nb  Nb22  1  0.800107  0.681480  0.441770  1
  Nb  Nb23  1  0.958775  0.998116  0.457725  1
  Nb  Nb24  1  0.116101  0.313949  0.473677  1
  Nb  Nb25  1  0.694835  0.471687  0.481701  1
  Nb  Nb26  1  0.853204  0.787620  0.497732  1
  Nb  Nb27  1  0.011315  0.103859  0.513680  1
  Nb  Nb28  1  0.274101  0.629638  0.489765  1
  Nb  Nb29  1  0.432212  0.945877  0.505713  1
  Nb  Nb30  1  0.590581  0.261810  0.521744  1
  Nb  Nb31  1  0.169315  0.419548  0.529768  1
  Nb  Nb32  1  0.326641  0.735382  0.545720  1
  Nb  Nb33  1  0.485309  0.052018  0.561675  1
  Nb  Nb34  1  0.748082  0.577505  0.537830  1
  Nb  Nb35  1  0.905437  0.893576  0.553655  1
  Nb  Nb36  1  0.065328  0.209538  0.569775  1
  Nb  Nb37  1  0.644094  0.367749  0.577883  1
  Nb  Nb38  1  0.800304  0.683906  0.593852  1
  Nb  Nb39  1  0.958993  1.000445  0.609386  1
  Nb  Nb40  1  0.221925  0.524811  0.585735  1
  Nb  Nb41  1  0.377380  0.840422  0.601340  1
  Nb  Nb42  1  0.542037  0.158681  0.618173  1
  Nb  Nb43  1  0.118153  0.313508  0.626188  1
  Nb  Nb44  1  0.271759  0.628273  0.641762  1
  Nb  Nb45  1  0.428654  0.944691  0.656000  1
  Nb  Nb46  1  0.697195  0.474258  0.634452  1
  Nb  Nb47  1  0.849793  0.792853  0.651450  1
  Nb  Nb48  1  0.022455  0.107686  0.667039  1
  Nb  Nb49  1  0.592888  0.259365  0.672988  1
  Nb  Nb50  1  0.740976  0.566311  0.687813  1
  Nb  Nb51  1  0.890320  0.872720  0.702715  1
  Nb  Nb52  1  0.167318  0.413694  0.679882  1
  Nb  Nb53  1  0.308583  0.710246  0.694785  1
  Nb  Nb54  1  0.494422  1.001561  0.705458  1
