# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26099075
_cell_length_b   9.25263576
_cell_length_c   47.60462668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb96
_cell_volume   3996.75656279
_cell_formula_units_Z   96
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  0.126965  0.857237  0.299893  1
  Nb  Nb2  1  0.627356  0.390734  0.292346  1
  Nb  Nb3  1  0.508629  0.770559  0.322616  1
  Nb  Nb4  1  0.996665  0.280488  0.325304  1
  Nb  Nb5  1  0.836425  0.088539  0.287495  1
  Nb  Nb6  1  0.373353  0.619907  0.294730  1
  Nb  Nb7  1  0.290743  0.018820  0.334713  1
  Nb  Nb8  1  0.750697  0.547911  0.320534  1
  Nb  Nb9  1  0.155635  0.171687  0.286860  1
  Nb  Nb10  1  0.475451  0.487216  0.353619  1
  Nb  Nb11  1  0.540401  0.097941  0.309159  1
  Nb  Nb12  1  0.077075  0.562513  0.312130  1
  Nb  Nb13  1  0.804765  0.849409  0.300127  1
  Nb  Nb14  1  0.329509  0.335160  0.319956  1
  Nb  Nb15  1  0.224740  0.711773  0.352802  1
  Nb  Nb16  1  0.691710  0.240761  0.343790  1
  Nb  Nb17  1  0.927261  0.696409  0.355399  1
  Nb  Nb18  1  0.446787  0.169085  0.374797  1
  Nb  Nb19  1  0.325445  0.616882  0.410703  1
  Nb  Nb20  1  0.811239  0.136857  0.397555  1
  Nb  Nb21  1  0.673871  0.937613  0.358771  1
  Nb  Nb22  1  0.179143  0.416185  0.370867  1
  Nb  Nb23  1  0.067561  0.887339  0.398875  1
  Nb  Nb24  1  0.579754  0.372426  0.408084  1
  Nb  Nb25  1  0.963871  0.993659  0.341257  1
  Nb  Nb26  1  0.307748  0.307001  0.424050  1
  Nb  Nb27  1  0.411081  0.859449  0.386127  1
  Nb  Nb28  1  0.870234  0.404400  0.376823  1
  Nb  Nb29  1  0.650478  0.641384  0.382750  1
  Nb  Nb30  1  0.137886  0.134181  0.381554  1
  Nb  Nb31  1  0.031186  0.586933  0.414037  1
  Nb  Nb32  1  0.575247  0.037511  0.424647  1
  Nb  Nb33  1  0.789286  0.485185  0.438818  1
  Nb  Nb34  1  0.286434  0.993748  0.434926  1
  Nb  Nb35  1  0.137143  0.455081  0.469652  1
  Nb  Nb36  1  0.668863  0.928413  0.478603  1
  Nb  Nb37  1  0.546204  0.724472  0.441620  1
  Nb  Nb38  1  0.021579  0.250924  0.431803  1
  Nb  Nb39  1  0.895960  0.688996  0.474266  1
  Nb  Nb40  1  0.407762  0.187837  0.475891  1
  Nb  Nb41  1  0.794746  0.809875  0.415989  1
  Nb  Nb42  1  0.153011  0.095772  0.489500  1
  Nb  Nb43  1  0.187313  0.760467  0.456665  1
  Nb  Nb44  1  0.694378  0.243178  0.459654  1
  Nb  Nb45  1  0.443584  0.491052  0.464436  1
  Nb  Nb46  1  0.938050  0.997881  0.452394  1
  Nb  Nb47  1  0.910200  0.334155  0.493510  1
  Nb  Nb48  1  0.404489  0.842564  0.492301  1
  Nb  Nb49  1  0.565573  0.331852  0.515737  1
  Nb  Nb50  1  0.045858  0.842743  0.510941  1
  Nb  Nb51  1  0.022220  0.171856  0.549088  1
  Nb  Nb52  1  0.503480  0.671514  0.550059  1
  Nb  Nb53  1  0.297213  0.591454  0.513069  1
  Nb  Nb54  1  0.808771  0.087508  0.514225  1
  Nb  Nb55  1  0.762292  0.421798  0.551608  1
  Nb  Nb56  1  0.256086  0.923183  0.547720  1
  Nb  Nb57  1  0.658232  0.582718  0.496745  1
  Nb  Nb58  1  0.941867  0.883953  0.568585  1
  Nb  Nb59  1  0.978237  0.552982  0.529749  1
  Nb  Nb60  1  0.470762  0.056326  0.531724  1
  Nb  Nb61  1  0.232864  0.311913  0.527582  1
  Nb  Nb62  1  0.729330  0.802009  0.533124  1
  Nb  Nb63  1  0.685783  0.136767  0.569237  1
  Nb  Nb64  1  0.176987  0.630845  0.567331  1
  Nb  Nb65  1  0.330030  0.139195  0.586238  1
  Nb  Nb66  1  0.829423  0.636719  0.587594  1
  Nb  Nb67  1  0.795759  0.958633  0.623097  1
  Nb  Nb68  1  0.294749  0.459202  0.624943  1
  Nb  Nb69  1  0.082532  0.386606  0.586849  1
  Nb  Nb70  1  0.580212  0.885817  0.587490  1
  Nb  Nb71  1  0.541228  0.211477  0.623826  1
  Nb  Nb72  1  0.042728  0.710548  0.625226  1
  Nb  Nb73  1  0.431800  0.388328  0.568685  1
  Nb  Nb74  1  0.693111  0.731958  0.647301  1
  Nb  Nb75  1  0.831506  0.285389  0.605529  1
  Nb  Nb76  1  0.310959  0.783888  0.603355  1
  Nb  Nb77  1  0.082575  0.036170  0.605784  1
  Nb  Nb78  1  0.575978  0.546004  0.606634  1
  Nb  Nb79  1  0.422783  0.959866  0.639991  1
  Nb  Nb80  1  0.928286  0.477647  0.642434  1
  Nb  Nb81  1  0.124664  0.907602  0.661736  1
  Nb  Nb82  1  0.632126  0.410945  0.660834  1
  Nb  Nb83  1  0.522480  0.792600  0.700584  1
  Nb  Nb84  1  0.034111  0.255664  0.695546  1
  Nb  Nb85  1  0.883850  0.163516  0.660566  1
  Nb  Nb86  1  0.378968  0.660962  0.661197  1
  Nb  Nb87  1  0.317410  1.000745  0.697356  1
  Nb  Nb88  1  0.779820  0.508846  0.696160  1
  Nb  Nb89  1  0.184263  0.225493  0.643690  1
  Nb  Nb90  1  0.452808  0.492984  0.714370  1
  Nb  Nb91  1  0.617414  0.062567  0.677294  1
  Nb  Nb92  1  0.114708  0.558976  0.682692  1
  Nb  Nb93  1  0.862502  0.822318  0.682470  1
  Nb  Nb94  1  0.370982  0.317743  0.684714  1
  Nb  Nb95  1  0.195891  0.732095  0.713302  1
  Nb  Nb96  1  0.709213  0.199765  0.712432  1
