# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.95462270
_cell_length_b   14.92172709
_cell_length_c   48.45919459
_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   10288.9985972
_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  0.962525  0.191285  0.301102  1
  Nb  Nb2  1  0.318902  0.867549  0.298963  1
  Nb  Nb3  1  0.274239  0.053073  0.341419  1
  Nb  Nb4  1  0.640705  0.119689  0.314789  1
  Nb  Nb5  1  0.977363  0.779360  0.318603  1
  Nb  Nb6  1  0.289404  0.459580  0.316018  1
  Nb  Nb7  1  0.627690  0.529443  0.300552  1
  Nb  Nb8  1  0.598259  0.722464  0.337769  1
  Nb  Nb9  1  0.054962  0.521394  0.282932  1
  Nb  Nb10  1  0.790847  0.360899  0.301453  1
  Nb  Nb11  1  0.152043  0.030963  0.297367  1
  Nb  Nb12  1  0.220499  0.356138  0.283517  1
  Nb  Nb13  1  0.454793  0.293844  0.313607  1
  Nb  Nb14  1  0.814930  0.940127  0.313936  1
  Nb  Nb15  1  0.129277  0.618508  0.316393  1
  Nb  Nb16  1  0.477270  0.704741  0.297070  1
  Nb  Nb17  1  0.437389  0.886486  0.340230  1
  Nb  Nb18  1  0.892010  0.698581  0.284795  1
  Nb  Nb19  1  0.000850  0.361293  0.290851  1
  Nb  Nb20  1  0.366964  0.039177  0.291018  1
  Nb  Nb21  1  0.301882  0.235303  0.328766  1
  Nb  Nb22  1  0.597760  0.346495  0.308672  1
  Nb  Nb23  1  0.949031  0.002924  0.307227  1
  Nb  Nb24  1  0.292983  0.681330  0.308102  1
  Nb  Nb25  1  0.675551  0.701252  0.289985  1
  Nb  Nb26  1  0.630946  0.907075  0.323876  1
  Nb  Nb27  1  0.965832  0.567173  0.331224  1
  Nb  Nb28  1  0.773886  0.168476  0.302698  1
  Nb  Nb29  1  0.132779  0.844902  0.309543  1
  Nb  Nb30  1  0.172019  0.186377  0.289478  1
  Nb  Nb31  1  0.469258  0.074620  0.325781  1
  Nb  Nb32  1  0.800044  0.736618  0.329903  1
  Nb  Nb33  1  0.133876  0.398406  0.330556  1
  Nb  Nb34  1  0.439751  0.526003  0.306699  1
  Nb  Nb35  1  0.527549  0.876595  0.288397  1
  Nb  Nb36  1  0.835260  0.530937  0.290909  1
  Nb  Nb37  1  0.834303  0.066728  0.357339  1
  Nb  Nb38  1  0.162322  0.731787  0.360839  1
  Nb  Nb39  1  0.124021  0.917625  0.403092  1
  Nb  Nb40  1  0.502037  0.974467  0.380678  1
  Nb  Nb41  1  0.833672  0.637173  0.384059  1
  Nb  Nb42  1  0.172775  0.300571  0.384103  1
  Nb  Nb43  1  0.494687  0.406505  0.358062  1
  Nb  Nb44  1  0.455105  0.584758  0.403164  1
  Nb  Nb45  1  0.932821  0.389796  0.339418  1
  Nb  Nb46  1  0.667256  0.237194  0.358095  1
  Nb  Nb47  1  0.998887  0.899377  0.360395  1
  Nb  Nb48  1  0.102823  0.221745  0.340280  1
  Nb  Nb49  1  0.341334  0.137679  0.382209  1
  Nb  Nb50  1  0.662375  0.807313  0.381234  1
  Nb  Nb51  1  0.002885  0.467905  0.384568  1
  Nb  Nb52  1  0.324763  0.567594  0.360328  1
  Nb  Nb53  1  0.289225  0.750348  0.403419  1
  Nb  Nb54  1  0.763752  0.559946  0.339126  1
  Nb  Nb55  1  0.886466  0.224179  0.348735  1
  Nb  Nb56  1  0.220500  0.890767  0.350558  1
  Nb  Nb57  1  0.169285  0.088564  0.393393  1
  Nb  Nb58  1  0.494208  0.200884  0.367104  1
  Nb  Nb59  1  0.820887  0.862536  0.369653  1
  Nb  Nb60  1  0.153484  0.527244  0.371312  1
  Nb  Nb61  1  0.542899  0.564267  0.350046  1
  Nb  Nb62  1  0.499798  0.756945  0.393451  1
  Nb  Nb63  1  0.833859  0.424446  0.393426  1
  Nb  Nb64  1  0.658032  0.028309  0.367972  1
  Nb  Nb65  1  0.987377  0.693541  0.371578  1
  Nb  Nb66  1  0.057196  0.056510  0.349257  1
  Nb  Nb67  1  0.335511  0.922044  0.393783  1
  Nb  Nb68  1  0.665265  0.592122  0.393025  1
  Nb  Nb69  1  0.001669  0.255850  0.393171  1
  Nb  Nb70  1  0.322358  0.361407  0.369844  1
  Nb  Nb71  1  0.381019  0.727361  0.350335  1
  Nb  Nb72  1  0.716835  0.399798  0.350153  1
  Nb  Nb73  1  0.687253  0.931469  0.423011  1
  Nb  Nb74  1  0.020041  0.596275  0.425417  1
  Nb  Nb75  1  0.965804  0.795905  0.467249  1
  Nb  Nb76  1  0.366228  0.823341  0.446832  1
  Nb  Nb77  1  0.698749  0.491965  0.446367  1
  Nb  Nb78  1  0.032709  0.157682  0.446267  1
  Nb  Nb79  1  0.357663  0.262317  0.423867  1
  Nb  Nb80  1  0.299483  0.460670  0.467700  1
  Nb  Nb81  1  0.791475  0.252017  0.402168  1
  Nb  Nb82  1  0.523921  0.097511  0.422842  1
  Nb  Nb83  1  0.852301  0.765192  0.424154  1
  Nb  Nb84  1  0.958232  0.085012  0.402098  1
  Nb  Nb85  1  0.199574  0.990550  0.446570  1
  Nb  Nb86  1  0.532571  0.657789  0.446638  1
  Nb  Nb87  1  0.865752  0.325432  0.446349  1
  Nb  Nb88  1  0.188436  0.428586  0.425094  1
  Nb  Nb89  1  0.132269  0.628295  0.467878  1
  Nb  Nb90  1  0.623052  0.419033  0.402437  1
  Nb  Nb91  1  0.731631  0.101953  0.412217  1
  Nb  Nb92  1  0.062627  0.767970  0.414607  1
  Nb  Nb93  1  0.024906  0.950951  0.456447  1
  Nb  Nb94  1  0.362106  0.042088  0.434849  1
  Nb  Nb95  1  0.688985  0.714998  0.435617  1
  Nb  Nb96  1  0.027710  0.375443  0.436317  1
  Nb  Nb97  1  0.396975  0.433961  0.413804  1
  Nb  Nb98  1  0.358600  0.615575  0.456965  1
  Nb  Nb99  1  0.692250  0.283477  0.455926  1
  Nb  Nb100  1  0.524595  0.880333  0.435286  1
  Nb  Nb101  1  0.857245  0.547755  0.436808  1
  Nb  Nb102  1  0.896863  0.936185  0.413361  1
  Nb  Nb103  1  0.191626  0.783135  0.456948  1
  Nb  Nb104  1  0.525419  0.449226  0.456390  1
  Nb  Nb105  1  0.858622  0.117527  0.455887  1
  Nb  Nb106  1  0.196717  0.207486  0.435769  1
  Nb  Nb107  1  0.229469  0.600116  0.414873  1
  Nb  Nb108  1  0.564703  0.268638  0.412644  1
  Nb  Nb109  1  0.546176  0.787446  0.489049  1
  Nb  Nb110  1  0.879499  0.454553  0.489367  1
  Nb  Nb111  1  0.818485  0.660149  0.532454  1
  Nb  Nb112  1  0.238843  0.667700  0.510129  1
  Nb  Nb113  1  0.571976  0.334214  0.509782  1
  Nb  Nb114  1  0.906284  1.001474  0.509390  1
  Nb  Nb115  1  0.213704  0.121667  0.488552  1
  Nb  Nb116  1  0.151390  0.328337  0.531970  1
  Nb  Nb117  1  0.634366  0.127937  0.466001  1
  Nb  Nb118  1  0.379768  0.954526  0.488657  1
  Nb  Nb119  1  0.712327  0.620753  0.489395  1
  Nb  Nb120  1  0.800126  0.962077  0.466332  1
  Nb  Nb121  1  0.072435  0.834780  0.509737  1
  Nb  Nb122  1  0.404906  0.500560  0.510234  1
  Nb  Nb123  1  0.739112  0.167673  0.509419  1
  Nb  Nb124  1  0.046635  0.288012  0.489004  1
  Nb  Nb125  1  0.984245  0.494290  0.532785  1
  Nb  Nb126  1  0.467221  0.293890  0.466815  1
  Nb  Nb127  1  0.578156  0.969504  0.476985  1
  Nb  Nb128  1  0.907527  0.641670  0.479216  1
  Nb  Nb129  1  0.874840  0.819050  0.521229  1
  Nb  Nb130  1  0.225812  0.894954  0.499328  1
  Nb  Nb131  1  0.559304  0.560200  0.499465  1
  Nb  Nb132  1  0.892572  0.228051  0.499349  1
  Nb  Nb133  1  0.241022  0.308194  0.478577  1
  Nb  Nb134  1  0.207667  0.485805  0.521797  1
  Nb  Nb135  1  0.545567  0.146911  0.519521  1
  Nb  Nb136  1  0.392799  0.727272  0.499458  1
  Nb  Nb137  1  0.726039  0.394176  0.499437  1
  Nb  Nb138  1  0.743771  0.803177  0.477557  1
  Nb  Nb139  1  0.040455  0.652723  0.521801  1
  Nb  Nb140  1  0.377589  0.314033  0.520209  1
  Nb  Nb141  1  0.711083  0.980557  0.519570  1
  Nb  Nb142  1  0.059307  0.062026  0.499321  1
  Nb  Nb143  1  0.073044  0.475316  0.479265  1
  Nb  Nb144  1  0.410944  0.136421  0.476989  1
  Nb  Nb145  1  0.419037  0.631677  0.552216  1
  Nb  Nb146  1  0.752859  0.296795  0.552436  1
  Nb  Nb147  1  0.660379  0.537214  0.596688  1
  Nb  Nb148  1  0.094690  0.524716  0.575944  1
  Nb  Nb149  1  0.430174  0.193641  0.573691  1
  Nb  Nb150  1  0.766310  0.857035  0.574632  1
  Nb  Nb151  1  0.086040  0.964438  0.552148  1
  Nb  Nb152  1  0.995559  0.203194  0.596349  1
  Nb  Nb153  1  0.486342  0.993932  0.530907  1
  Nb  Nb154  1  0.252383  0.798886  0.551954  1
  Nb  Nb155  1  0.585902  0.464545  0.552519  1
  Nb  Nb156  1  0.652807  0.826321  0.531537  1
  Nb  Nb157  1  0.931358  0.690757  0.575774  1
  Nb  Nb158  1  0.260948  0.359910  0.574918  1
  Nb  Nb159  1  0.598570  0.025952  0.573369  1
  Nb  Nb160  1  0.919862  0.130262  0.552419  1
  Nb  Nb161  1  0.827136  0.370210  0.596617  1
  Nb  Nb162  1  0.319128  0.161556  0.531086  1
  Nb  Nb163  1  0.426985  0.839091  0.541838  1
  Nb  Nb164  1  0.759989  0.504700  0.542898  1
  Nb  Nb165  1  0.721748  0.686042  0.585424  1
  Nb  Nb166  1  0.094016  0.741894  0.563500  1
  Nb  Nb167  1  0.421894  0.414741  0.563016  1
  Nb  Nb168  1  0.761366  0.074472  0.561978  1
  Nb  Nb169  1  0.093192  0.173001  0.542395  1
  Nb  Nb170  1  0.053908  0.353589  0.586142  1
  Nb  Nb171  1  0.389142  0.022110  0.583912  1
  Nb  Nb172  1  0.256505  0.580139  0.563937  1
  Nb  Nb173  1  0.590901  0.246784  0.562469  1
  Nb  Nb174  1  0.593705  0.671276  0.542339  1
  Nb  Nb175  1  0.886980  0.520274  0.586569  1
  Nb  Nb176  1  0.221636  0.188266  0.584982  1
  Nb  Nb177  1  0.555984  0.854256  0.584178  1
  Nb  Nb178  1  0.929626  0.907229  0.563169  1
  Nb  Nb179  1  0.926361  0.338750  0.542860  1
  Nb  Nb180  1  0.260011  0.006652  0.541821  1
  Nb  Nb181  1  0.277277  0.484547  0.616577  1
  Nb  Nb182  1  0.615726  0.154322  0.614218  1
  Nb  Nb183  1  0.515788  0.400482  0.658506  1
  Nb  Nb184  1  0.951355  0.385033  0.640691  1
  Nb  Nb185  1  0.293848  0.054633  0.638458  1
  Nb  Nb186  1  0.619724  0.722850  0.638391  1
  Nb  Nb187  1  0.956236  0.814914  0.617552  1
  Nb  Nb188  1  0.854858  0.062281  0.659660  1
  Nb  Nb189  1  0.329386  0.871879  0.595367  1
  Nb  Nb190  1  0.116574  0.647760  0.618107  1
  Nb  Nb191  1  0.445836  0.321656  0.614682  1
  Nb  Nb192  1  0.494590  0.704602  0.595694  1
  Nb  Nb193  1  0.784308  0.555498  0.641447  1
  Nb  Nb194  1  0.123924  0.215722  0.640724  1
  Nb  Nb195  1  0.456289  0.890440  0.637946  1
  Nb  Nb196  1  0.784939  0.985053  0.614727  1
  Nb  Nb197  1  0.685790  0.232430  0.659368  1
  Nb  Nb198  1  0.163505  0.037469  0.595622  1
  Nb  Nb199  1  0.283100  0.700183  0.605003  1
  Nb  Nb200  1  0.616942  0.366376  0.605615  1
  Nb  Nb201  1  0.561415  0.565717  0.649529  1
  Nb  Nb202  1  0.960579  0.593918  0.630814  1
  Nb  Nb203  1  0.296253  0.260820  0.628942  1
  Nb  Nb204  1  0.631234  0.928686  0.627208  1
  Nb  Nb205  1  0.953346  0.030104  0.605761  1
  Nb  Nb206  1  0.901775  0.222429  0.648633  1
  Nb  Nb207  1  0.237592  0.894866  0.648451  1
  Nb  Nb208  1  0.124402  0.421343  0.631682  1
  Nb  Nb209  1  0.465127  0.094982  0.627474  1
  Nb  Nb210  1  0.449326  0.533663  0.605393  1
  Nb  Nb211  1  0.732145  0.398048  0.650050  1
  Nb  Nb212  1  0.075712  0.057960  0.648740  1
  Nb  Nb213  1  0.398110  0.731459  0.648228  1
  Nb  Nb214  1  0.797724  0.759690  0.629133  1
  Nb  Nb215  1  0.784752  0.197781  0.605360  1
  Nb  Nb216  1  0.118812  0.865282  0.605335  1
  Nb  Nb217  1  0.163818  0.328382  0.685179  1
  Nb  Nb218  1  0.489334  0.003719  0.682393  1
  Nb  Nb219  1  0.398112  0.266088  0.715269  1
  Nb  Nb220  1  0.827764  0.261328  0.697333  1
  Nb  Nb221  1  0.141341  0.917485  0.701715  1
  Nb  Nb222  1  0.466568  0.591264  0.701419  1
  Nb  Nb223  1  0.803681  0.682100  0.684850  1
  Nb  Nb224  1  0.726601  0.923646  0.713990  1
  Nb  Nb225  1  0.181222  0.735741  0.658556  1
  Nb  Nb226  1  0.977906  0.502538  0.683996  1
  Nb  Nb227  1  0.329207  0.162647  0.682768  1
  Nb  Nb228  1  0.344372  0.569154  0.657367  1
  Nb  Nb229  1  0.656086  0.430942  0.697684  1
  Nb  Nb230  1  0.990921  0.092784  0.698234  1
  Nb  Nb231  1  0.299709  0.754678  0.699823  1
  Nb  Nb232  1  0.641248  0.842866  0.680183  1
  Nb  Nb233  1  0.563649  0.100833  0.715854  1
  Nb  Nb234  1  0.020352  0.899763  0.661017  1
  Nb  Nb235  1  0.149353  0.547607  0.673005  1
  Nb  Nb236  1  0.484735  0.223820  0.668230  1
  Nb  Nb237  1  0.446592  0.435849  0.709308  1
  Nb  Nb238  1  0.844725  0.453751  0.696088  1
  Nb  Nb239  1  0.178860  0.096224  0.692087  1
  Nb  Nb240  1  0.485832  0.777324  0.689243  1
  Nb  Nb241  1  0.818566  0.885608  0.668883  1
  Nb  Nb242  1  0.783351  0.091290  0.707877  1
  Nb  Nb243  1  0.091062  0.745632  0.710389  1
  Nb  Nb244  1  0.020850  0.275732  0.690113  1
  Nb  Nb245  1  0.325628  0.940896  0.690684  1
  Nb  Nb246  1  0.316729  0.386924  0.670020  1
  Nb  Nb247  1  0.617761  0.260933  0.707934  1
  Nb  Nb248  1  0.943060  0.920975  0.708801  1
  Nb  Nb249  1  0.251647  0.583049  0.707768  1
  Nb  Nb250  1  0.669580  0.619303  0.691559  1
  Nb  Nb251  1  0.652779  0.055054  0.667561  1
  Nb  Nb252  1  0.987665  0.715152  0.674910  1
