# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89061115
_cell_length_b   11.89992262
_cell_length_c   47.57454349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb162
_cell_volume   6405.0910421
_cell_formula_units_Z   162
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  0.567020  0.900313  0.329186  1
  Nb  Nb2  1  0.033909  0.713375  0.288155  1
  Nb  Nb3  1  0.936825  0.945632  0.313834  1
  Nb  Nb4  1  0.322088  0.984648  0.302674  1
  Nb  Nb5  1  0.651161  0.655561  0.302676  1
  Nb  Nb6  1  0.982302  0.315609  0.299281  1
  Nb  Nb7  1  0.379892  0.367443  0.288147  1
  Nb  Nb8  1  0.273100  0.606411  0.312990  1
  Nb  Nb9  1  0.612292  0.270159  0.313830  1
  Nb  Nb10  1  0.854470  0.187885  0.295454  1
  Nb  Nb11  1  0.167673  0.837212  0.291834  1
  Nb  Nb12  1  0.091142  0.083242  0.321059  1
  Nb  Nb13  1  0.461216  0.128429  0.307469  1
  Nb  Nb14  1  0.795038  0.794565  0.307456  1
  Nb  Nb15  1  0.129937  0.463370  0.306782  1
  Nb  Nb16  1  0.503878  0.501014  0.291828  1
  Nb  Nb17  1  0.419040  0.752286  0.320685  1
  Nb  Nb18  1  0.749984  0.424405  0.321067  1
  Nb  Nb19  1  0.447544  0.780667  0.378898  1
  Nb  Nb20  1  0.902612  0.567504  0.327613  1
  Nb  Nb21  1  0.819137  0.820506  0.361875  1
  Nb  Nb22  1  0.190449  0.856927  0.345231  1
  Nb  Nb23  1  0.523706  0.523671  0.345233  1
  Nb  Nb24  1  0.860464  0.193687  0.347667  1
  Nb  Nb25  1  0.234283  0.235880  0.327614  1
  Nb  Nb26  1  0.152895  0.486084  0.362982  1
  Nb  Nb27  1  0.487325  0.152331  0.361886  1
  Nb  Nb28  1  0.714738  0.047973  0.336191  1
  Nb  Nb29  1  0.046144  0.713080  0.339996  1
  Nb  Nb30  1  0.966952  0.969071  0.371711  1
  Nb  Nb31  1  0.340535  0.006095  0.354764  1
  Nb  Nb32  1  0.672906  0.673728  0.354766  1
  Nb  Nb33  1  0.004961  0.338159  0.352714  1
  Nb  Nb34  1  0.379818  0.379407  0.339992  1
  Nb  Nb35  1  0.301691  0.634869  0.372234  1
  Nb  Nb36  1  0.635906  0.300123  0.371702  1
  Nb  Nb37  1  0.330847  0.663907  0.430451  1
  Nb  Nb38  1  0.780874  0.450142  0.379313  1
  Nb  Nb39  1  0.702527  0.703586  0.413588  1
  Nb  Nb40  1  0.074636  0.742035  0.397559  1
  Nb  Nb41  1  0.408909  0.407765  0.397558  1
  Nb  Nb42  1  0.741136  0.074252  0.396519  1
  Nb  Nb43  1  0.117011  0.114014  0.379301  1
  Nb  Nb44  1  0.035806  0.368884  0.413290  1
  Nb  Nb45  1  0.370496  0.035608  0.413588  1
  Nb  Nb46  1  0.595826  0.928963  0.387843  1
  Nb  Nb47  1  0.927467  0.592625  0.388244  1
  Nb  Nb48  1  0.849756  0.849300  0.421816  1
  Nb  Nb49  1  0.222355  0.889296  0.405270  1
  Nb  Nb50  1  0.556194  0.555454  0.405270  1
  Nb  Nb51  1  0.890227  0.223332  0.405619  1
  Nb  Nb52  1  0.259482  0.260607  0.388244  1
  Nb  Nb53  1  0.182769  0.515846  0.422097  1
  Nb  Nb54  1  0.516227  0.182838  0.421816  1
  Nb  Nb55  1  0.212652  0.545623  0.480862  1
  Nb  Nb56  1  0.664418  0.330009  0.430316  1
  Nb  Nb57  1  0.585402  0.585042  0.464027  1
  Nb  Nb58  1  0.957346  0.623668  0.447254  1
  Nb  Nb59  1  0.290642  0.290373  0.447254  1
  Nb  Nb60  1  0.624572  0.957603  0.447140  1
  Nb  Nb61  1  0.996959  0.997481  0.430316  1
  Nb  Nb62  1  0.918829  0.251825  0.464151  1
  Nb  Nb63  1  0.252047  0.918399  0.464027  1
  Nb  Nb64  1  0.477647  0.810686  0.438484  1
  Nb  Nb65  1  0.810522  0.477414  0.438823  1
  Nb  Nb66  1  0.732205  0.732167  0.472457  1
  Nb  Nb67  1  0.104765  0.771287  0.455760  1
  Nb  Nb68  1  0.438273  0.437782  0.455761  1
  Nb  Nb69  1  0.771431  0.104446  0.455478  1
  Nb  Nb70  1  0.144372  0.143565  0.438820  1
  Nb  Nb71  1  0.065527  0.398509  0.472475  1
  Nb  Nb72  1  0.399186  0.065188  0.472456  1
  Nb  Nb73  1  0.095133  0.428005  0.531462  1
  Nb  Nb74  1  0.546066  0.212417  0.480769  1
  Nb  Nb75  1  0.467633  0.467248  0.514551  1
  Nb  Nb76  1  0.840144  0.506520  0.497781  1
  Nb  Nb77  1  0.173583  0.173078  0.497780  1
  Nb  Nb78  1  0.506916  0.839851  0.497595  1
  Nb  Nb79  1  0.879450  0.879033  0.480768  1
  Nb  Nb80  1  0.800993  0.133897  0.514407  1
  Nb  Nb81  1  0.134343  0.800540  0.514550  1
  Nb  Nb82  1  0.359975  0.692928  0.489264  1
  Nb  Nb83  1  0.693200  0.359339  0.489270  1
  Nb  Nb84  1  0.614757  0.614174  0.522964  1
  Nb  Nb85  1  0.987195  0.653479  0.506135  1
  Nb  Nb86  1  0.320557  0.320115  0.506135  1
  Nb  Nb87  1  0.654130  0.987055  0.506047  1
  Nb  Nb88  1  0.026388  0.026155  0.489269  1
  Nb  Nb89  1  0.948193  0.281081  0.523046  1
  Nb  Nb90  1  0.281285  0.947651  0.522963  1
  Nb  Nb91  1  0.977661  0.310452  0.582079  1
  Nb  Nb92  1  0.428664  0.094816  0.531353  1
  Nb  Nb93  1  0.350175  0.349482  0.565105  1
  Nb  Nb94  1  0.722527  0.388505  0.548140  1
  Nb  Nb95  1  0.055664  0.055374  0.548140  1
  Nb  Nb96  1  0.389297  0.722139  0.548144  1
  Nb  Nb97  1  0.761938  0.761539  0.531354  1
  Nb  Nb98  1  0.683985  0.016806  0.565003  1
  Nb  Nb99  1  0.016668  0.682987  0.565104  1
  Nb  Nb100  1  0.242050  0.574910  0.539727  1
  Nb  Nb101  1  0.575417  0.241855  0.539766  1
  Nb  Nb102  1  0.496611  0.496243  0.573547  1
  Nb  Nb103  1  0.870001  0.536018  0.556669  1
  Nb  Nb104  1  0.203192  0.202831  0.556669  1
  Nb  Nb105  1  0.536611  0.869439  0.556363  1
  Nb  Nb106  1  0.908992  0.908280  0.539765  1
  Nb  Nb107  1  0.830220  0.163024  0.573279  1
  Nb  Nb108  1  0.163445  0.829413  0.573544  1
  Nb  Nb109  1  0.858155  0.190845  0.632304  1
  Nb  Nb110  1  0.310469  0.977427  0.581732  1
  Nb  Nb111  1  0.233350  0.233263  0.615617  1
  Nb  Nb112  1  0.604189  0.271393  0.598896  1
  Nb  Nb113  1  0.938628  0.936948  0.598894  1
  Nb  Nb114  1  0.271009  0.603763  0.598327  1
  Nb  Nb115  1  0.644640  0.643242  0.581732  1
  Nb  Nb116  1  0.566361  0.899071  0.614588  1
  Nb  Nb117  1  0.900545  0.566076  0.615619  1
  Nb  Nb118  1  0.124584  0.457353  0.590478  1
  Nb  Nb119  1  0.458488  0.124514  0.590304  1
  Nb  Nb120  1  0.379536  0.377942  0.624701  1
  Nb  Nb121  1  0.752193  0.417044  0.606497  1
  Nb  Nb122  1  0.084313  0.084937  0.606497  1
  Nb  Nb123  1  0.419198  0.751937  0.606714  1
  Nb  Nb124  1  0.791745  0.791260  0.590303  1
  Nb  Nb125  1  0.714718  0.047417  0.624189  1
  Nb  Nb126  1  0.045222  0.712262  0.624693  1
  Nb  Nb127  1  0.739281  0.071921  0.684833  1
  Nb  Nb128  1  0.194373  0.857575  0.632366  1
  Nb  Nb129  1  0.115328  0.112989  0.664318  1
  Nb  Nb130  1  0.486853  0.154710  0.649906  1
  Nb  Nb131  1  0.822060  0.819523  0.649919  1
  Nb  Nb132  1  0.154728  0.487393  0.650167  1
  Nb  Nb133  1  0.524870  0.527066  0.632378  1
  Nb  Nb134  1  0.450868  0.783473  0.666895  1
  Nb  Nb135  1  0.780387  0.447937  0.664319  1
  Nb  Nb136  1  0.007463  0.340138  0.641613  1
  Nb  Nb137  1  0.339079  0.007126  0.640365  1
  Nb  Nb138  1  0.260079  0.258482  0.676099  1
  Nb  Nb139  1  0.635835  0.302761  0.659045  1
  Nb  Nb140  1  0.970121  0.968474  0.659041  1
  Nb  Nb141  1  0.301631  0.634286  0.656864  1
  Nb  Nb142  1  0.674462  0.671739  0.640354  1
  Nb  Nb143  1  0.594367  0.926936  0.672045  1
  Nb  Nb144  1  0.925903  0.592680  0.676101  1
  Nb  Nb145  1  0.600071  0.932360  0.723853  1
  Nb  Nb146  1  0.073126  0.741552  0.683099  1
  Nb  Nb147  1  0.993565  0.989268  0.712612  1
  Nb  Nb148  1  0.363435  0.036759  0.698467  1
  Nb  Nb149  1  0.704275  0.695924  0.698459  1
  Nb  Nb150  1  0.032512  0.364971  0.697240  1
  Nb  Nb151  1  0.408950  0.405690  0.683100  1
  Nb  Nb152  1  0.318726  0.651102  0.709186  1
  Nb  Nb153  1  0.656741  0.326105  0.712615  1
  Nb  Nb154  1  0.886230  0.218798  0.690816  1
  Nb  Nb155  1  0.225056  0.883123  0.691036  1
  Nb  Nb156  1  0.119006  0.121603  0.716345  1
  Nb  Nb157  1  0.512930  0.175854  0.704264  1
  Nb  Nb158  1  0.843461  0.845409  0.704277  1
  Nb  Nb159  1  0.178350  0.510757  0.702295  1
  Nb  Nb160  1  0.550555  0.557639  0.691044  1
  Nb  Nb161  1  0.471865  0.804357  0.720213  1
  Nb  Nb162  1  0.789196  0.451424  0.716344  1
