# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.27121005
_cell_length_b   13.40106258
_cell_length_c   48.63255758
_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   Nb252
_cell_volume   10089.9394403
_cell_formula_units_Z   252
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  0.805223  0.400190  0.294237  1
  Nb  Nb2  1  0.139754  0.059677  0.294649  1
  Nb  Nb3  1  0.088023  0.271056  0.335144  1
  Nb  Nb4  1  0.446192  0.337125  0.313610  1
  Nb  Nb5  1  0.784442  1.005266  0.314377  1
  Nb  Nb6  1  0.120602  0.669582  0.314711  1
  Nb  Nb7  1  0.473312  0.735509  0.293857  1
  Nb  Nb8  1  0.420394  0.943122  0.335840  1
  Nb  Nb9  1  0.757601  0.607507  0.336093  1
  Nb  Nb10  1  0.639694  0.568197  0.294144  1
  Nb  Nb11  1  -0.028162  0.231579  0.294239  1
  Nb  Nb12  1  0.924992  0.439903  0.335945  1
  Nb  Nb13  1  0.286585  0.501643  0.314204  1
  Nb  Nb14  1  0.617386  0.172769  0.314302  1
  Nb  Nb15  1  -0.047813  0.837447  0.314368  1
  Nb  Nb16  1  0.304593  0.894308  0.294966  1
  Nb  Nb17  1  0.286287  0.295049  0.283569  1
  Nb  Nb18  1  0.589408  0.775821  0.336160  1
  Nb  Nb19  1  0.818287  0.583261  0.288372  1
  Nb  Nb20  1  0.147049  0.255952  0.285472  1
  Nb  Nb21  1  0.115196  0.460591  0.321690  1
  Nb  Nb22  1  0.463193  0.532646  0.304817  1
  Nb  Nb23  1  0.794939  0.196798  0.304791  1
  Nb  Nb24  1  0.128637  0.863123  0.304277  1
  Nb  Nb25  1  0.481538  0.919744  0.288761  1
  Nb  Nb26  1  0.439474  0.140015  0.322673  1
  Nb  Nb27  1  0.775831  0.800558  0.323120  1
  Nb  Nb28  1  0.627092  0.363476  0.305112  1
  Nb  Nb29  1  -0.038284  1.029647  0.304604  1
  Nb  Nb30  1  -0.018254  0.418561  0.287970  1
  Nb  Nb31  1  0.272032  0.299266  0.332398  1
  Nb  Nb32  1  0.607547  0.968642  0.323242  1
  Nb  Nb33  1  0.944382  0.632507  0.323067  1
  Nb  Nb34  1  0.297532  0.699434  0.304158  1
  Nb  Nb35  1  0.320291  0.095438  0.285965  1
  Nb  Nb36  1  0.651362  0.750811  0.288615  1
  Nb  Nb37  1  0.721016  0.209132  0.355094  1
  Nb  Nb38  1  0.054240  0.874661  0.354942  1
  Nb  Nb39  1  -0.010346  0.081438  0.397448  1
  Nb  Nb40  1  0.359485  0.142436  0.378848  1
  Nb  Nb41  1  0.691749  0.813486  0.377223  1
  Nb  Nb42  1  0.026388  0.477858  0.376838  1
  Nb  Nb43  1  0.388554  0.542992  0.354706  1
  Nb  Nb44  1  0.323292  0.748433  0.397547  1
  Nb  Nb45  1  0.657596  0.415826  0.397298  1
  Nb  Nb46  1  0.555842  0.376767  0.354742  1
  Nb  Nb47  1  0.887532  1.041815  0.355044  1
  Nb  Nb48  1  0.822949  0.248371  0.397404  1
  Nb  Nb49  1  0.188455  0.311925  0.379264  1
  Nb  Nb50  1  0.524222  0.981310  0.377029  1
  Nb  Nb51  1  0.859371  0.645811  0.377193  1
  Nb  Nb52  1  0.222495  0.709623  0.354742  1
  Nb  Nb53  1  0.255295  0.108090  0.333142  1
  Nb  Nb54  1  0.490299  0.581789  0.397231  1
  Nb  Nb55  1  0.738438  0.410401  0.343621  1
  Nb  Nb56  1  0.070215  0.074293  0.343890  1
  Nb  Nb57  1  0.006118  0.277800  0.387948  1
  Nb  Nb58  1  0.377334  0.346196  0.367470  1
  Nb  Nb59  1  0.705357  1.008054  0.364564  1
  Nb  Nb60  1  0.040665  0.671718  0.364341  1
  Nb  Nb61  1  0.405370  0.743968  0.344000  1
  Nb  Nb62  1  0.339162  0.947190  0.387662  1
  Nb  Nb63  1  0.674137  0.613022  0.388039  1
  Nb  Nb64  1  0.538466  0.176510  0.364786  1
  Nb  Nb65  1  0.872838  0.840143  0.364524  1
  Nb  Nb66  1  0.903518  0.242383  0.343679  1
  Nb  Nb67  1  0.174148  0.113138  0.387324  1
  Nb  Nb68  1  0.506886  0.780517  0.388055  1
  Nb  Nb69  1  0.841223  0.445669  0.388026  1
  Nb  Nb70  1  0.206382  0.513200  0.366600  1
  Nb  Nb71  1  0.236565  0.907843  0.344504  1
  Nb  Nb72  1  0.571810  0.577969  0.343636  1
  Nb  Nb73  1  0.624248  1.019186  0.418994  1
  Nb  Nb74  1  -0.041610  0.684572  0.418862  1
  Nb  Nb75  1  0.891793  0.890208  0.461163  1
  Nb  Nb76  1  0.257570  0.953192  0.440211  1
  Nb  Nb77  1  0.591661  0.619329  0.440156  1
  Nb  Nb78  1  0.924754  0.285789  0.440387  1
  Nb  Nb79  1  0.291879  0.352813  0.419501  1
  Nb  Nb80  1  0.225387  0.558838  0.461615  1
  Nb  Nb81  1  0.559066  0.224458  0.461493  1
  Nb  Nb82  1  0.458690  0.185552  0.419719  1
  Nb  Nb83  1  0.791205  0.851887  0.418926  1
  Nb  Nb84  1  0.725167  1.057137  0.461182  1
  Nb  Nb85  1  0.091282  0.119748  0.440313  1
  Nb  Nb86  1  0.424397  0.786012  0.440116  1
  Nb  Nb87  1  0.758855  0.452773  0.440301  1
  Nb  Nb88  1  0.124713  0.520241  0.419548  1
  Nb  Nb89  1  0.155897  0.915699  0.397643  1
  Nb  Nb90  1  0.392274  0.391979  0.461626  1
  Nb  Nb91  1  0.640389  0.215059  0.407765  1
  Nb  Nb92  1  -0.026611  0.880408  0.407665  1
  Nb  Nb93  1  0.907740  0.087231  0.450161  1
  Nb  Nb94  1  0.274923  0.151655  0.430451  1
  Nb  Nb95  1  0.608207  0.819442  0.429836  1
  Nb  Nb96  1  0.942188  0.485233  0.429786  1
  Nb  Nb97  1  0.307718  0.552393  0.408711  1
  Nb  Nb98  1  0.240914  0.756483  0.450728  1
  Nb  Nb99  1  0.575695  0.421662  0.450427  1
  Nb  Nb100  1  0.441929  0.984766  0.430321  1
  Nb  Nb101  1  0.775222  0.652235  0.429831  1
  Nb  Nb102  1  0.806766  1.047461  0.407699  1
  Nb  Nb103  1  0.074006  0.922434  0.450525  1
  Nb  Nb104  1  0.408593  0.589386  0.450711  1
  Nb  Nb105  1  0.741524  0.254051  0.450145  1
  Nb  Nb106  1  0.107712  0.318942  0.430348  1
  Nb  Nb107  1  0.140043  0.717742  0.408294  1
  Nb  Nb108  1  0.475842  0.384140  0.408541  1
  Nb  Nb109  1  0.526056  0.824508  0.482550  1
  Nb  Nb110  1  0.859740  0.492015  0.482592  1
  Nb  Nb111  1  0.793665  0.697490  0.524709  1
  Nb  Nb112  1  0.159338  0.764538  0.503916  1
  Nb  Nb113  1  0.493160  0.430574  0.503756  1
  Nb  Nb114  1  0.826262  0.096194  0.503525  1
  Nb  Nb115  1  0.192438  0.158838  0.482766  1
  Nb  Nb116  1  0.126785  0.364845  0.524890  1
  Nb  Nb117  1  0.459925  1.030482  0.524679  1
  Nb  Nb118  1  0.359173  0.991479  0.482672  1
  Nb  Nb119  1  0.692885  0.658365  0.482476  1
  Nb  Nb120  1  0.626837  0.863681  0.524641  1
  Nb  Nb121  1  -0.007385  0.930567  0.503764  1
  Nb  Nb122  1  0.326205  0.597948  0.503887  1
  Nb  Nb123  1  0.659927  0.263144  0.503611  1
  Nb  Nb124  1  0.026020  0.325879  0.482779  1
  Nb  Nb125  1  0.058357  0.725061  0.461486  1
  Nb  Nb126  1  0.293228  0.197641  0.524760  1
  Nb  Nb127  1  0.542457  1.024744  0.472129  1
  Nb  Nb128  1  0.875721  0.691223  0.471853  1
  Nb  Nb129  1  0.809681  0.897031  0.514001  1
  Nb  Nb130  1  0.175628  0.960921  0.493318  1
  Nb  Nb131  1  0.509734  0.626924  0.493142  1
  Nb  Nb132  1  0.842977  0.292824  0.493040  1
  Nb  Nb133  1  0.209205  0.358841  0.472151  1
  Nb  Nb134  1  0.142986  0.564667  0.514223  1
  Nb  Nb135  1  0.476422  0.230963  0.514163  1
  Nb  Nb136  1  0.342582  0.794173  0.493266  1
  Nb  Nb137  1  0.676633  0.459656  0.493030  1
  Nb  Nb138  1  0.708906  0.858054  0.471882  1
  Nb  Nb139  1  -0.023779  0.731103  0.514179  1
  Nb  Nb140  1  0.309677  0.397986  0.514184  1
  Nb  Nb141  1  0.643088  0.063833  0.514091  1
  Nb  Nb142  1  0.009188  0.127142  0.493222  1
  Nb  Nb143  1  0.042384  0.525458  0.472108  1
  Nb  Nb144  1  0.375794  0.191867  0.472189  1
  Nb  Nb145  1  0.427744  0.636166  0.546581  1
  Nb  Nb146  1  0.761370  0.301623  0.546317  1
  Nb  Nb147  1  0.695652  0.506978  0.588860  1
  Nb  Nb148  1  0.060749  0.570944  0.566878  1
  Nb  Nb149  1  0.393664  0.236846  0.566527  1
  Nb  Nb150  1  0.727430  0.903082  0.566615  1
  Nb  Nb151  1  0.093988  0.969390  0.546752  1
  Nb  Nb152  1  0.028837  0.175208  0.589127  1
  Nb  Nb153  1  0.362015  0.841974  0.589162  1
  Nb  Nb154  1  0.261006  0.803043  0.546756  1
  Nb  Nb155  1  0.594522  0.468873  0.546354  1
  Nb  Nb156  1  0.528769  0.674471  0.588941  1
  Nb  Nb157  1  0.893990  0.737982  0.566962  1
  Nb  Nb158  1  0.227302  0.403831  0.566774  1
  Nb  Nb159  1  0.560427  0.069508  0.566537  1
  Nb  Nb160  1  0.927809  0.135520  0.546502  1
  Nb  Nb161  1  -0.039820  0.531715  0.524921  1
  Nb  Nb162  1  0.194700  1.008504  0.589265  1
  Nb  Nb163  1  0.443929  0.832118  0.535561  1
  Nb  Nb164  1  0.777500  0.498588  0.535466  1
  Nb  Nb165  1  0.711542  0.703818  0.577671  1
  Nb  Nb166  1  0.077417  0.770797  0.556395  1
  Nb  Nb167  1  0.410696  0.437821  0.556203  1
  Nb  Nb168  1  0.744277  0.103140  0.556183  1
  Nb  Nb169  1  0.110231  0.166160  0.535689  1
  Nb  Nb170  1  0.044383  0.371188  0.577937  1
  Nb  Nb171  1  0.377109  1.036761  0.577689  1
  Nb  Nb172  1  0.244113  0.604146  0.556390  1
  Nb  Nb173  1  0.577613  0.270444  0.556169  1
  Nb  Nb174  1  0.610970  0.665110  0.535490  1
  Nb  Nb175  1  0.877853  0.538518  0.577951  1
  Nb  Nb176  1  0.210898  0.204057  0.577881  1
  Nb  Nb177  1  0.544688  0.870157  0.577623  1
  Nb  Nb178  1  0.910424  0.937002  0.556398  1
  Nb  Nb179  1  0.943860  0.332897  0.535651  1
  Nb  Nb180  1  0.276719  0.999169  0.535653  1
  Nb  Nb181  1  0.328717  0.444023  0.608386  1
  Nb  Nb182  1  0.662612  0.109461  0.608012  1
  Nb  Nb183  1  0.597386  0.313666  0.652363  1
  Nb  Nb184  1  -0.037193  0.381695  0.632376  1
  Nb  Nb185  1  0.295698  1.048358  0.632452  1
  Nb  Nb186  1  0.629712  0.713828  0.631643  1
  Nb  Nb187  1  -0.004636  0.778313  0.608548  1
  Nb  Nb188  1  0.926882  0.979479  0.653764  1
  Nb  Nb189  1  0.265274  0.646093  0.653050  1
  Nb  Nb190  1  0.162201  0.610716  0.608557  1
  Nb  Nb191  1  0.494736  0.278395  0.607705  1
  Nb  Nb192  1  0.431978  0.479462  0.652911  1
  Nb  Nb193  1  0.797327  0.547578  0.631660  1
  Nb  Nb194  1  0.129807  0.215290  0.632374  1
  Nb  Nb195  1  0.463457  0.881890  0.632170  1
  Nb  Nb196  1  0.826815  0.944335  0.609133  1
  Nb  Nb197  1  0.862306  0.341453  0.588991  1
  Nb  Nb198  1  0.097685  0.812950  0.653107  1
  Nb  Nb199  1  0.345994  0.641343  0.599384  1
  Nb  Nb200  1  0.679089  0.308739  0.598908  1
  Nb  Nb201  1  0.615240  0.514373  0.642080  1
  Nb  Nb202  1  -0.022529  0.577232  0.619509  1
  Nb  Nb203  1  0.310694  0.243008  0.619354  1
  Nb  Nb204  1  0.645397  0.909780  0.619629  1
  Nb  Nb205  1  0.011554  0.974239  0.599516  1
  Nb  Nb206  1  -0.051506  0.180400  0.641670  1
  Nb  Nb207  1  0.280684  0.847147  0.641822  1
  Nb  Nb208  1  0.144042  0.410158  0.619542  1
  Nb  Nb209  1  0.476552  0.076119  0.618990  1
  Nb  Nb210  1  0.512609  0.475433  0.599224  1
  Nb  Nb211  1  0.780411  0.346580  0.642162  1
  Nb  Nb212  1  0.112648  1.013106  0.641938  1
  Nb  Nb213  1  0.447914  0.681258  0.641877  1
  Nb  Nb214  1  0.810259  0.746847  0.620089  1
  Nb  Nb215  1  0.846585  0.141073  0.598983  1
  Nb  Nb216  1  0.179167  0.807863  0.599415  1
  Nb  Nb217  1  0.229164  0.256805  0.673750  1
  Nb  Nb218  1  0.560412  0.920698  0.672557  1
  Nb  Nb219  1  0.534069  0.135245  0.705292  1
  Nb  Nb220  1  0.877975  0.195386  0.691950  1
  Nb  Nb221  1  0.208232  0.860342  0.691735  1
  Nb  Nb222  1  0.541354  0.526708  0.691582  1
  Nb  Nb223  1  0.894778  0.590529  0.673718  1
  Nb  Nb224  1  0.852811  0.812795  0.706868  1
  Nb  Nb225  1  0.186784  0.474513  0.708193  1
  Nb  Nb226  1  0.061490  0.424135  0.673720  1
  Nb  Nb227  1  0.397182  0.089482  0.673534  1
  Nb  Nb228  1  0.356435  0.305492  0.708015  1
  Nb  Nb229  1  0.707509  0.356525  0.692589  1
  Nb  Nb230  1  0.041707  1.026853  0.691747  1
  Nb  Nb231  1  0.374835  0.693070  0.691764  1
  Nb  Nb232  1  0.728444  0.752100  0.672184  1
  Nb  Nb233  1  0.766686  0.148217  0.651336  1
  Nb  Nb234  1  0.018442  0.643173  0.708111  1
  Nb  Nb235  1  0.247368  0.449039  0.660496  1
  Nb  Nb236  1  0.581625  0.117229  0.657930  1
  Nb  Nb237  1  0.532342  0.320972  0.702437  1
  Nb  Nb238  1  0.885192  0.385811  0.682459  1
  Nb  Nb239  1  0.219799  1.052488  0.682415  1
  Nb  Nb240  1  0.552205  0.720469  0.682607  1
  Nb  Nb241  1  0.911868  0.784373  0.660113  1
  Nb  Nb242  1  0.862561  0.992700  0.701989  1
  Nb  Nb243  1  0.198031  0.656559  0.702600  1
  Nb  Nb244  1  0.053923  0.219479  0.682485  1
  Nb  Nb245  1  0.385468  0.885885  0.682612  1
  Nb  Nb246  1  0.414056  0.282037  0.660170  1
  Nb  Nb247  1  0.704108  0.163758  0.699343  1
  Nb  Nb248  1  0.031017  0.824869  0.702623  1
  Nb  Nb249  1  0.365072  0.488672  0.702575  1
  Nb  Nb250  1  0.718947  0.553402  0.682252  1
  Nb  Nb251  1  0.738085  0.953885  0.663732  1
  Nb  Nb252  1  0.080077  0.616763  0.660564  1
