# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33824039
_cell_length_b   11.87682784
_cell_length_c   46.46074434
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb120
_cell_volume   4739.97815948
_cell_formula_units_Z   120
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  0.273939  0.092296  0.296811  1
  Nb  Nb2  1  0.780595  0.078620  0.290733  1
  Nb  Nb3  1  0.696735  0.456328  0.283147  1
  Nb  Nb4  1  0.856878  0.731978  0.307381  1
  Nb  Nb5  1  0.183769  0.461319  0.278175  1
  Nb  Nb6  1  0.357687  0.721534  0.306052  1
  Nb  Nb7  1  0.589607  0.219664  0.308406  1
  Nb  Nb8  1  0.094571  0.226176  0.308325  1
  Nb  Nb9  1  0.034700  0.577544  0.290251  1
  Nb  Nb10  1  0.142531  0.850211  0.319652  1
  Nb  Nb11  1  0.516628  0.604653  0.293897  1
  Nb  Nb12  1  0.942413  0.973772  0.278858  1
  Nb  Nb13  1  0.974740  0.995324  0.338965  1
  Nb  Nb14  1  0.477855  0.990218  0.335081  1
  Nb  Nb15  1  0.404122  0.361873  0.319953  1
  Nb  Nb16  1  0.546734  0.631594  0.353537  1
  Nb  Nb17  1  0.903712  0.348605  0.321374  1
  Nb  Nb18  1  0.049659  0.630256  0.352130  1
  Nb  Nb19  1  0.295028  0.126594  0.350471  1
  Nb  Nb20  1  0.791836  0.129960  0.352831  1
  Nb  Nb21  1  0.729101  0.496349  0.334301  1
  Nb  Nb22  1  0.864245  0.763691  0.368303  1
  Nb  Nb23  1  0.225904  0.494114  0.338282  1
  Nb  Nb24  1  0.664780  0.857763  0.323967  1
  Nb  Nb25  1  0.679888  0.903097  0.383459  1
  Nb  Nb26  1  0.181459  0.901351  0.382339  1
  Nb  Nb27  1  0.112766  0.267786  0.368027  1
  Nb  Nb28  1  0.250300  0.539728  0.398491  1
  Nb  Nb29  1  0.611821  0.266073  0.367285  1
  Nb  Nb30  1  0.750135  0.538308  0.398124  1
  Nb  Nb31  1  1.001290  0.039826  0.398450  1
  Nb  Nb32  1  0.497294  0.039123  0.397202  1
  Nb  Nb33  1  0.433095  0.401129  0.381739  1
  Nb  Nb34  1  0.566690  0.675050  0.413587  1
  Nb  Nb35  1  0.928880  0.403765  0.382210  1
  Nb  Nb36  1  0.361540  0.769233  0.367100  1
  Nb  Nb37  1  0.385508  0.812374  0.428513  1
  Nb  Nb38  1  0.886337  0.812051  0.428665  1
  Nb  Nb39  1  0.817208  0.176314  0.413302  1
  Nb  Nb40  1  0.954175  0.448286  0.443746  1
  Nb  Nb41  1  0.317695  0.175436  0.413105  1
  Nb  Nb42  1  0.454266  0.447786  0.443466  1
  Nb  Nb43  1  0.703858  0.949112  0.443779  1
  Nb  Nb44  1  0.204512  0.948400  0.443620  1
  Nb  Nb45  1  0.136453  0.313065  0.428419  1
  Nb  Nb46  1  0.272512  0.584919  0.459309  1
  Nb  Nb47  1  0.635594  0.311603  0.428468  1
  Nb  Nb48  1  0.068691  0.675117  0.413432  1
  Nb  Nb49  1  0.090629  0.721342  0.474284  1
  Nb  Nb50  1  0.590619  0.721244  0.474254  1
  Nb  Nb51  1  0.522004  0.084865  0.458760  1
  Nb  Nb52  1  0.658676  0.357683  0.489523  1
  Nb  Nb53  1  0.022628  0.085371  0.459080  1
  Nb  Nb54  1  0.159290  0.357919  0.489512  1
  Nb  Nb55  1  0.408808  0.857987  0.489381  1
  Nb  Nb56  1  0.909017  0.858050  0.489488  1
  Nb  Nb57  1  0.840736  0.221555  0.474226  1
  Nb  Nb58  1  0.976805  0.494046  0.504787  1
  Nb  Nb59  1  0.340487  0.221247  0.474123  1
  Nb  Nb60  1  0.772482  0.584631  0.458940  1
  Nb  Nb61  1  0.795424  0.630544  0.519918  1
  Nb  Nb62  1  0.295277  0.630499  0.520016  1
  Nb  Nb63  1  0.227022  0.994505  0.504755  1
  Nb  Nb64  1  0.363819  0.267273  0.535292  1
  Nb  Nb65  1  0.727088  0.994379  0.504632  1
  Nb  Nb66  1  0.863476  0.266937  0.535094  1
  Nb  Nb67  1  0.113710  0.767322  0.535105  1
  Nb  Nb68  1  0.613441  0.767019  0.535048  1
  Nb  Nb69  1  0.544977  0.130792  0.519916  1
  Nb  Nb70  1  0.681682  0.403526  0.550750  1
  Nb  Nb71  1  0.045707  0.130938  0.519991  1
  Nb  Nb72  1  0.477430  0.493921  0.504652  1
  Nb  Nb73  1  0.500090  0.539665  0.565704  1
  Nb  Nb74  1  0.999988  0.539416  0.565788  1
  Nb  Nb75  1  0.931679  0.904075  0.550549  1
  Nb  Nb76  1  0.068736  0.176277  0.581093  1
  Nb  Nb77  1  0.431736  0.903680  0.550134  1
  Nb  Nb78  1  0.567943  0.176416  0.581059  1
  Nb  Nb79  1  0.818048  0.676556  0.580596  1
  Nb  Nb80  1  0.318451  0.675668  0.580806  1
  Nb  Nb81  1  0.249552  0.040919  0.565969  1
  Nb  Nb82  1  0.386169  0.312958  0.596380  1
  Nb  Nb83  1  0.750437  0.039962  0.565492  1
  Nb  Nb84  1  0.182252  0.403463  0.550511  1
  Nb  Nb85  1  0.207273  0.447285  0.611953  1
  Nb  Nb86  1  0.702432  0.449863  0.612171  1
  Nb  Nb87  1  0.636003  0.813057  0.595870  1
  Nb  Nb88  1  0.776470  0.083846  0.626732  1
  Nb  Nb89  1  0.136893  0.814589  0.595644  1
  Nb  Nb90  1  0.269613  0.087745  0.627976  1
  Nb  Nb91  1  0.525211  0.586303  0.626813  1
  Nb  Nb92  1  0.022619  0.585693  0.625946  1
  Nb  Nb93  1  0.953827  0.949349  0.611951  1
  Nb  Nb94  1  0.090675  0.218106  0.642480  1
  Nb  Nb95  1  0.454767  0.950405  0.610639  1
  Nb  Nb96  1  0.887328  0.312316  0.595772  1
  Nb  Nb97  1  0.912052  0.358195  0.655651  1
  Nb  Nb98  1  0.408057  0.359966  0.660064  1
  Nb  Nb99  1  0.339145  0.720815  0.641124  1
  Nb  Nb100  1  0.476288  0.995522  0.670416  1
  Nb  Nb101  1  0.841046  0.724071  0.641167  1
  Nb  Nb102  1  0.976629  0.987553  0.677290  1
  Nb  Nb103  1  0.229695  0.500983  0.672344  1
  Nb  Nb104  1  0.740260  0.500830  0.674425  1
  Nb  Nb105  1  0.653986  0.856824  0.657113  1
  Nb  Nb106  1  0.790365  0.130663  0.685830  1
  Nb  Nb107  1  0.159112  0.857279  0.655971  1
  Nb  Nb108  1  0.592948  0.224638  0.641290  1
  Nb  Nb109  1  0.617588  0.263167  0.700281  1
  Nb  Nb110  1  0.102571  0.269803  0.703477  1
  Nb  Nb111  1  0.032615  0.625414  0.686040  1
  Nb  Nb112  1  0.205880  0.888573  0.716229  1
  Nb  Nb113  1  0.550806  0.639260  0.686315  1
  Nb  Nb114  1  0.657547  0.906452  0.718916  1
  Nb  Nb115  1  0.949234  0.384814  0.714947  1
  Nb  Nb116  1  0.437819  0.402351  0.711451  1
  Nb  Nb117  1  0.347040  0.762375  0.702877  1
  Nb  Nb118  1  0.524826  0.033051  0.731695  1
  Nb  Nb119  1  0.870912  0.781679  0.700152  1
  Nb  Nb120  1  0.305440  0.127591  0.689099  1
