# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84955241
_cell_length_b   20.79222665
_cell_length_c   47.93919766
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb288
_cell_volume   11628.0610734
_cell_formula_units_Z   288
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  0.926192  0.646339  0.281072  1
  Nb  Nb2  1  0.460882  0.449177  0.337109  1
  Nb  Nb3  1  0.563395  0.650646  0.300354  1
  Nb  Nb4  1  0.938817  0.152902  0.282928  1
  Nb  Nb5  1  0.873439  0.312937  0.301275  1
  Nb  Nb6  1  0.844469  0.462798  0.319533  1
  Nb  Nb7  1  0.300687  0.336402  0.283846  1
  Nb  Nb8  1  0.216713  0.481305  0.302883  1
  Nb  Nb9  1  0.169849  0.631013  0.317850  1
  Nb  Nb10  1  0.595689  1.000907  0.285108  1
  Nb  Nb11  1  0.569698  0.151009  0.300292  1
  Nb  Nb12  1  0.507430  0.295982  0.320251  1
  Nb  Nb13  1  0.894971  0.802500  0.298121  1
  Nb  Nb14  1  0.842725  0.959298  0.317876  1
  Nb  Nb15  1  0.250252  0.829708  0.283506  1
  Nb  Nb16  1  0.239446  0.977100  0.298439  1
  Nb  Nb17  1  0.178049  0.128986  0.318908  1
  Nb  Nb18  1  0.497174  0.799713  0.318188  1
  Nb  Nb19  1  0.079259  0.743937  0.283096  1
  Nb  Nb20  1  0.791393  0.575433  0.281384  1
  Nb  Nb21  1  0.706053  0.723179  0.299718  1
  Nb  Nb22  1  0.958368  0.198885  0.335978  1
  Nb  Nb23  1  0.062100  0.387066  0.303194  1
  Nb  Nb24  1  0.015827  0.540887  0.318818  1
  Nb  Nb25  1  0.435226  0.408073  0.283213  1
  Nb  Nb26  1  0.393327  0.561346  0.303966  1
  Nb  Nb27  1  0.332734  0.714955  0.317181  1
  Nb  Nb28  1  0.805746  0.078998  0.283982  1
  Nb  Nb29  1  0.714865  0.223477  0.300212  1
  Nb  Nb30  1  0.685303  0.375234  0.315767  1
  Nb  Nb31  1  0.067129  0.891636  0.298434  1
  Nb  Nb32  1  0.015798  0.042774  0.319291  1
  Nb  Nb33  1  0.423311  0.914655  0.283750  1
  Nb  Nb34  1  0.408442  0.062338  0.298706  1
  Nb  Nb35  1  0.345010  0.212618  0.319273  1
  Nb  Nb36  1  0.670816  0.879731  0.317296  1
  Nb  Nb37  1  0.793828  0.616709  0.337713  1
  Nb  Nb38  1  0.318830  0.415660  0.393702  1
  Nb  Nb39  1  0.414500  0.604921  0.352198  1
  Nb  Nb40  1  0.799857  0.117164  0.338980  1
  Nb  Nb41  1  0.746599  0.271970  0.356260  1
  Nb  Nb42  1  0.698013  0.427496  0.373183  1
  Nb  Nb43  1  0.126423  0.286975  0.332056  1
  Nb  Nb44  1  0.079323  0.437909  0.357045  1
  Nb  Nb45  1  0.030864  0.593727  0.374438  1
  Nb  Nb46  1  0.465576  0.952215  0.337933  1
  Nb  Nb47  1  0.416872  0.107664  0.354990  1
  Nb  Nb48  1  0.362570  0.260668  0.373871  1
  Nb  Nb49  1  0.744666  0.773947  0.354108  1
  Nb  Nb50  1  0.700676  0.926421  0.373406  1
  Nb  Nb51  1  0.125376  0.783971  0.337749  1
  Nb  Nb52  1  0.082413  0.940157  0.354895  1
  Nb  Nb53  1  0.035224  0.093577  0.374247  1
  Nb  Nb54  1  0.363665  0.759030  0.373532  1
  Nb  Nb55  1  0.956474  0.698596  0.337104  1
  Nb  Nb56  1  0.634914  0.531971  0.333939  1
  Nb  Nb57  1  0.577063  0.690676  0.355450  1
  Nb  Nb58  1  0.820175  0.165399  0.393568  1
  Nb  Nb59  1  0.912374  0.354738  0.355882  1
  Nb  Nb60  1  0.864748  0.510018  0.374140  1
  Nb  Nb61  1  0.294947  0.369692  0.339064  1
  Nb  Nb62  1  0.245208  0.523232  0.356166  1
  Nb  Nb63  1  0.196673  0.676858  0.373545  1
  Nb  Nb64  1  0.636792  0.035689  0.336607  1
  Nb  Nb65  1  0.581193  0.189255  0.356751  1
  Nb  Nb66  1  0.534947  0.343909  0.374168  1
  Nb  Nb67  1  0.913000  0.856403  0.353983  1
  Nb  Nb68  1  0.868373  0.008998  0.374008  1
  Nb  Nb69  1  0.294647  0.868779  0.338108  1
  Nb  Nb70  1  0.250873  0.025238  0.354578  1
  Nb  Nb71  1  0.197596  0.178247  0.372521  1
  Nb  Nb72  1  0.532499  0.843534  0.373831  1
  Nb  Nb73  1  0.648199  0.581482  0.391357  1
  Nb  Nb74  1  0.175250  0.379711  0.448446  1
  Nb  Nb75  1  0.271830  0.571044  0.410875  1
  Nb  Nb76  1  0.653247  0.081512  0.393389  1
  Nb  Nb77  1  0.603541  0.236989  0.411755  1
  Nb  Nb78  1  0.557496  0.392155  0.429845  1
  Nb  Nb79  1  0.987173  0.248596  0.391729  1
  Nb  Nb80  1  0.936282  0.403182  0.411659  1
  Nb  Nb81  1  0.887781  0.558655  0.429678  1
  Nb  Nb82  1  0.319163  0.915934  0.392815  1
  Nb  Nb83  1  0.272610  0.070943  0.410757  1
  Nb  Nb84  1  0.223299  0.224973  0.429555  1
  Nb  Nb85  1  0.603380  0.736931  0.411040  1
  Nb  Nb86  1  0.557521  0.891793  0.429565  1
  Nb  Nb87  1  0.982404  0.748877  0.392375  1
  Nb  Nb88  1  0.938463  0.903223  0.410751  1
  Nb  Nb89  1  0.891831  0.057967  0.429831  1
  Nb  Nb90  1  0.222167  0.725172  0.429498  1
  Nb  Nb91  1  0.815359  0.665840  0.392727  1
  Nb  Nb92  1  0.485794  0.498855  0.392149  1
  Nb  Nb93  1  0.436223  0.653400  0.410729  1
  Nb  Nb94  1  0.676349  0.129791  0.448663  1
  Nb  Nb95  1  0.771063  0.320527  0.411482  1
  Nb  Nb96  1  0.722357  0.475261  0.429452  1
  Nb  Nb97  1  0.150676  0.331134  0.392624  1
  Nb  Nb98  1  0.103519  0.487084  0.411798  1
  Nb  Nb99  1  0.055608  0.642058  0.429656  1
  Nb  Nb100  1  0.487434  0.999390  0.392602  1
  Nb  Nb101  1  0.436617  0.153732  0.411324  1
  Nb  Nb102  1  0.390057  0.308492  0.429790  1
  Nb  Nb103  1  0.770975  0.820293  0.410628  1
  Nb  Nb104  1  0.724673  0.974580  0.429735  1
  Nb  Nb105  1  0.150538  0.832158  0.392806  1
  Nb  Nb106  1  0.106471  0.987036  0.410942  1
  Nb  Nb107  1  0.058812  0.141866  0.429700  1
  Nb  Nb108  1  0.389602  0.808328  0.429399  1
  Nb  Nb109  1  0.508635  0.546915  0.448149  1
  Nb  Nb110  1  0.033356  0.344498  0.504183  1
  Nb  Nb111  1  0.127621  0.535151  0.466943  1
  Nb  Nb112  1  0.509848  0.046502  0.448602  1
  Nb  Nb113  1  0.461773  0.201387  0.467132  1
  Nb  Nb114  1  0.414239  0.356449  0.485421  1
  Nb  Nb115  1  0.843764  0.213462  0.448438  1
  Nb  Nb116  1  0.794801  0.368289  0.467232  1
  Nb  Nb117  1  0.746582  0.523029  0.485432  1
  Nb  Nb118  1  0.176134  0.879960  0.448377  1
  Nb  Nb119  1  0.129665  0.034764  0.466826  1
  Nb  Nb120  1  0.081831  0.189510  0.485583  1
  Nb  Nb121  1  0.460610  0.701460  0.466705  1
  Nb  Nb122  1  0.414454  0.856105  0.485302  1
  Nb  Nb123  1  0.841607  0.713363  0.448343  1
  Nb  Nb124  1  0.795360  0.867970  0.466815  1
  Nb  Nb125  1  0.748637  0.022788  0.485528  1
  Nb  Nb126  1  0.080324  0.689799  0.485488  1
  Nb  Nb127  1  0.674162  0.629690  0.447974  1
  Nb  Nb128  1  0.342577  0.463819  0.448561  1
  Nb  Nb129  1  0.294107  0.618462  0.466930  1
  Nb  Nb130  1  0.534336  0.094375  0.504227  1
  Nb  Nb131  1  0.628624  0.284892  0.467134  1
  Nb  Nb132  1  0.580706  0.439876  0.485509  1
  Nb  Nb133  1  0.009330  0.296366  0.448373  1
  Nb  Nb134  1  0.960701  0.451555  0.467131  1
  Nb  Nb135  1  0.913167  0.606366  0.485351  1
  Nb  Nb136  1  0.343623  0.963386  0.448306  1
  Nb  Nb137  1  0.295783  0.117973  0.467025  1
  Nb  Nb138  1  0.247902  0.272900  0.485463  1
  Nb  Nb139  1  0.628023  0.784762  0.466786  1
  Nb  Nb140  1  0.581660  0.939417  0.485528  1
  Nb  Nb141  1  0.008542  0.796556  0.448302  1
  Nb  Nb142  1  0.962660  0.951287  0.466785  1
  Nb  Nb143  1  0.915421  0.106192  0.485464  1
  Nb  Nb144  1  0.247250  0.773006  0.485382  1
  Nb  Nb145  1  0.365879  0.511500  0.504206  1
  Nb  Nb146  1  0.891012  0.308966  0.559965  1
  Nb  Nb147  1  0.985000  0.499364  0.522823  1
  Nb  Nb148  1  0.367453  0.010850  0.504154  1
  Nb  Nb149  1  0.320127  0.165815  0.522792  1
  Nb  Nb150  1  0.272264  0.320953  0.541114  1
  Nb  Nb151  1  0.701076  0.177876  0.504205  1
  Nb  Nb152  1  0.652636  0.332747  0.522817  1
  Nb  Nb153  1  0.604065  0.487496  0.541232  1
  Nb  Nb154  1  0.033494  0.844509  0.504074  1
  Nb  Nb155  1  0.986832  0.999197  0.522739  1
  Nb  Nb156  1  0.939572  0.154071  0.541315  1
  Nb  Nb157  1  0.318240  0.666072  0.522887  1
  Nb  Nb158  1  0.271589  0.820769  0.541254  1
  Nb  Nb159  1  0.698845  0.677786  0.503963  1
  Nb  Nb160  1  0.652293  0.832492  0.522773  1
  Nb  Nb161  1  0.606114  0.987452  0.541272  1
  Nb  Nb162  1  0.937674  0.654106  0.541039  1
  Nb  Nb163  1  0.532225  0.594596  0.504073  1
  Nb  Nb164  1  0.199487  0.428018  0.504115  1
  Nb  Nb165  1  0.151461  0.582872  0.522869  1
  Nb  Nb166  1  0.392224  0.058545  0.559720  1
  Nb  Nb167  1  0.486647  0.249287  0.522785  1
  Nb  Nb168  1  0.438098  0.404324  0.541079  1
  Nb  Nb169  1  0.867258  0.261134  0.504207  1
  Nb  Nb170  1  0.818659  0.416000  0.522946  1
  Nb  Nb171  1  0.770619  0.570866  0.541059  1
  Nb  Nb172  1  0.200580  0.927801  0.504114  1
  Nb  Nb173  1  0.153406  0.082477  0.522798  1
  Nb  Nb174  1  0.105819  0.237442  0.541197  1
  Nb  Nb175  1  0.485098  0.749107  0.522715  1
  Nb  Nb176  1  0.438689  0.903722  0.541161  1
  Nb  Nb177  1  0.866194  0.761106  0.504078  1
  Nb  Nb178  1  0.819857  0.915937  0.522720  1
  Nb  Nb179  1  0.773082  0.070895  0.541283  1
  Nb  Nb180  1  0.104976  0.737681  0.541308  1
  Nb  Nb181  1  0.223036  0.476060  0.559987  1
  Nb  Nb182  1  0.750405  0.274335  0.616426  1
  Nb  Nb183  1  0.841531  0.463792  0.578675  1
  Nb  Nb184  1  0.225144  0.975617  0.560028  1
  Nb  Nb185  1  0.177976  0.130579  0.578579  1
  Nb  Nb186  1  0.130597  0.285010  0.596665  1
  Nb  Nb187  1  0.559528  0.142258  0.559866  1
  Nb  Nb188  1  0.511421  0.297194  0.578464  1
  Nb  Nb189  1  0.460861  0.451794  0.596941  1
  Nb  Nb190  1  0.891142  0.808833  0.559682  1
  Nb  Nb191  1  0.843793  0.964040  0.578634  1
  Nb  Nb192  1  0.797856  0.118898  0.597151  1
  Nb  Nb193  1  0.175162  0.630649  0.578946  1
  Nb  Nb194  1  0.130256  0.785259  0.597432  1
  Nb  Nb195  1  0.556175  0.642207  0.559942  1
  Nb  Nb196  1  0.508597  0.796602  0.578721  1
  Nb  Nb197  1  0.463942  0.951108  0.596759  1
  Nb  Nb198  1  0.794947  0.618466  0.596531  1
  Nb  Nb199  1  0.389486  0.559151  0.560119  1
  Nb  Nb200  1  0.057242  0.392400  0.559934  1
  Nb  Nb201  1  0.008348  0.547075  0.578733  1
  Nb  Nb202  1  0.250767  0.024007  0.615914  1
  Nb  Nb203  1  0.344603  0.213659  0.578421  1
  Nb  Nb204  1  0.296005  0.369010  0.596628  1
  Nb  Nb205  1  0.725743  0.225900  0.560074  1
  Nb  Nb206  1  0.675696  0.380463  0.578821  1
  Nb  Nb207  1  0.627706  0.535028  0.596813  1
  Nb  Nb208  1  0.058406  0.892388  0.559940  1
  Nb  Nb209  1  0.011336  0.047276  0.578691  1
  Nb  Nb210  1  0.964311  0.202144  0.597143  1
  Nb  Nb211  1  0.341565  0.713779  0.578934  1
  Nb  Nb212  1  0.295870  0.868334  0.597114  1
  Nb  Nb213  1  0.723300  0.725709  0.559871  1
  Nb  Nb214  1  0.676588  0.880719  0.578489  1
  Nb  Nb215  1  0.631840  0.035054  0.597169  1
  Nb  Nb216  1  0.962962  0.701635  0.596594  1
  Nb  Nb217  1  0.080086  0.440988  0.615762  1
  Nb  Nb218  1  0.612467  0.240399  0.671892  1
  Nb  Nb219  1  0.696764  0.427041  0.635156  1
  Nb  Nb220  1  0.082807  0.941595  0.615729  1
  Nb  Nb221  1  0.037816  0.095753  0.634434  1
  Nb  Nb222  1  0.990955  0.251382  0.652386  1
  Nb  Nb223  1  0.417588  0.106216  0.614823  1
  Nb  Nb224  1  0.369767  0.260937  0.633595  1
  Nb  Nb225  1  0.314229  0.415704  0.652593  1
  Nb  Nb226  1  0.747915  0.774303  0.615533  1
  Nb  Nb227  1  0.701148  0.927579  0.635286  1
  Nb  Nb228  1  0.656387  0.084292  0.653386  1
  Nb  Nb229  1  0.032140  0.593630  0.635031  1
  Nb  Nb230  1  0.983559  0.749850  0.651671  1
  Nb  Nb231  1  0.412437  0.608170  0.616073  1
  Nb  Nb232  1  0.366053  0.760743  0.636161  1
  Nb  Nb233  1  0.319357  0.915365  0.652320  1
  Nb  Nb234  1  0.649356  0.583437  0.651747  1
  Nb  Nb235  1  0.246261  0.524504  0.616101  1
  Nb  Nb236  1  0.914053  0.357530  0.615510  1
  Nb  Nb237  1  0.863684  0.510211  0.634841  1
  Nb  Nb238  1  0.112664  0.992834  0.671976  1
  Nb  Nb239  1  0.203469  0.177000  0.635115  1
  Nb  Nb240  1  0.151631  0.333544  0.651434  1
  Nb  Nb241  1  0.585409  0.190739  0.615550  1
  Nb  Nb242  1  0.533485  0.343584  0.634927  1
  Nb  Nb243  1  0.480665  0.500364  0.651491  1
  Nb  Nb244  1  0.914680  0.857297  0.614785  1
  Nb  Nb245  1  0.868955  0.012157  0.634866  1
  Nb  Nb246  1  0.821595  0.167053  0.652901  1
  Nb  Nb247  1  0.197747  0.677035  0.635849  1
  Nb  Nb248  1  0.149293  0.835823  0.653210  1
  Nb  Nb249  1  0.580178  0.690472  0.615698  1
  Nb  Nb250  1  0.536297  0.843560  0.634110  1
  Nb  Nb251  1  0.489420  0.998439  0.651833  1
  Nb  Nb252  1  0.817152  0.666442  0.651072  1
  Nb  Nb253  1  0.934951  0.406682  0.670601  1
  Nb  Nb254  1  0.496219  0.185476  0.720785  1
  Nb  Nb255  1  0.543689  0.388692  0.690969  1
  Nb  Nb256  1  0.940007  0.903622  0.669953  1
  Nb  Nb257  1  0.897288  0.056141  0.688268  1
  Nb  Nb258  1  0.868979  0.208287  0.706124  1
  Nb  Nb259  1  0.278882  0.069587  0.671916  1
  Nb  Nb260  1  0.240029  0.223277  0.690351  1
  Nb  Nb261  1  0.161273  0.378655  0.707675  1
  Nb  Nb262  1  0.609438  0.737634  0.671650  1
  Nb  Nb263  1  0.547299  0.889856  0.690782  1
  Nb  Nb264  1  0.531710  0.036052  0.706867  1
  Nb  Nb265  1  0.880085  0.555138  0.690290  1
  Nb  Nb266  1  0.853212  0.708577  0.705935  1
  Nb  Nb267  1  0.272995  0.572535  0.672272  1
  Nb  Nb268  1  0.210222  0.727504  0.691284  1
  Nb  Nb269  1  0.177693  0.880573  0.708519  1
  Nb  Nb270  1  0.520605  0.542861  0.706295  1
  Nb  Nb271  1  0.108015  0.489761  0.671526  1
  Nb  Nb272  1  0.780723  0.323086  0.672383  1
  Nb  Nb273  1  0.700111  0.474792  0.691622  1
  Nb  Nb274  1  0.987107  0.937637  0.719900  1
  Nb  Nb275  1  0.052473  0.146961  0.691447  1
  Nb  Nb276  1  0.032622  0.302238  0.707801  1
  Nb  Nb277  1  0.447991  0.151199  0.669304  1
  Nb  Nb278  1  0.376192  0.302402  0.689942  1
  Nb  Nb279  1  0.363668  0.455267  0.705545  1
  Nb  Nb280  1  0.772797  0.821352  0.671554  1
  Nb  Nb281  1  0.721191  0.977343  0.692408  1
  Nb  Nb282  1  0.684635  0.130724  0.709212  1
  Nb  Nb283  1  0.036468  0.641098  0.691360  1
  Nb  Nb284  1  0.024384  0.787831  0.706997  1
  Nb  Nb285  1  0.441266  0.654144  0.672256  1
  Nb  Nb286  1  0.390356  0.803029  0.687111  1
  Nb  Nb287  1  0.362678  0.953694  0.705588  1
  Nb  Nb288  1  0.701201  0.623802  0.706098  1
