# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86362970
_cell_length_b   20.79662737
_cell_length_c   47.41894860
_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   11517.9717588
_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  0.928477  0.661004  0.290507  1
  Nb  Nb2  1  0.459722  0.450330  0.347792  1
  Nb  Nb3  1  0.555082  0.649287  0.307372  1
  Nb  Nb4  1  0.926844  0.168740  0.292440  1
  Nb  Nb5  1  0.891426  0.313030  0.305658  1
  Nb  Nb6  1  0.839943  0.461848  0.323914  1
  Nb  Nb7  1  0.264748  0.342020  0.293454  1
  Nb  Nb8  1  0.234172  0.482629  0.306884  1
  Nb  Nb9  1  0.166934  0.630534  0.322929  1
  Nb  Nb10  1  0.599255  0.004753  0.292647  1
  Nb  Nb11  1  0.554651  0.149230  0.306505  1
  Nb  Nb12  1  0.503992  0.299476  0.323229  1
  Nb  Nb13  1  0.886444  0.809894  0.305273  1
  Nb  Nb14  1  0.835530  0.960882  0.322783  1
  Nb  Nb15  1  0.255270  0.838619  0.292770  1
  Nb  Nb16  1  0.223134  0.981561  0.305769  1
  Nb  Nb17  1  0.168592  0.130286  0.322806  1
  Nb  Nb18  1  0.497979  0.797784  0.322768  1
  Nb  Nb19  1  0.086767  0.753204  0.292670  1
  Nb  Nb20  1  0.781735  0.589357  0.293331  1
  Nb  Nb21  1  0.715505  0.730882  0.306208  1
  Nb  Nb22  1  0.093718  0.254322  0.292829  1
  Nb  Nb23  1  0.062449  0.396648  0.305730  1
  Nb  Nb24  1  0.006626  0.543779  0.323280  1
  Nb  Nb25  1  0.444874  0.435847  0.297870  1
  Nb  Nb26  1  0.393482  0.571229  0.309020  1
  Nb  Nb27  1  0.330269  0.715804  0.322720  1
  Nb  Nb28  1  0.765355  0.083386  0.292222  1
  Nb  Nb29  1  0.723149  0.228498  0.305532  1
  Nb  Nb30  1  0.673702  0.376371  0.323920  1
  Nb  Nb31  1  0.054453  0.896427  0.305442  1
  Nb  Nb32  1  0.002550  0.045572  0.322842  1
  Nb  Nb33  1  0.426143  0.922995  0.292894  1
  Nb  Nb34  1  0.389399  0.066230  0.306416  1
  Nb  Nb35  1  0.335743  0.214937  0.322861  1
  Nb  Nb36  1  0.666663  0.879593  0.322784  1
  Nb  Nb37  1  0.786896  0.614575  0.343614  1
  Nb  Nb38  1  0.312337  0.413269  0.399844  1
  Nb  Nb39  1  0.406041  0.605573  0.360224  1
  Nb  Nb40  1  0.789418  0.114482  0.342282  1
  Nb  Nb41  1  0.744177  0.270220  0.359046  1
  Nb  Nb42  1  0.699420  0.424448  0.378989  1
  Nb  Nb43  1  0.126224  0.282828  0.342773  1
  Nb  Nb44  1  0.079532  0.437500  0.359390  1
  Nb  Nb45  1  0.027979  0.591272  0.379240  1
  Nb  Nb46  1  0.456727  0.950200  0.342915  1
  Nb  Nb47  1  0.408417  0.105353  0.359456  1
  Nb  Nb48  1  0.363852  0.258164  0.379421  1
  Nb  Nb49  1  0.737599  0.770613  0.359210  1
  Nb  Nb50  1  0.695718  0.923935  0.379109  1
  Nb  Nb51  1  0.120368  0.782897  0.342897  1
  Nb  Nb52  1  0.075441  0.937797  0.358996  1
  Nb  Nb53  1  0.029163  0.091060  0.379029  1
  Nb  Nb54  1  0.360067  0.758714  0.379270  1
  Nb  Nb55  1  0.950543  0.696397  0.341241  1
  Nb  Nb56  1  0.619666  0.526782  0.337437  1
  Nb  Nb57  1  0.570651  0.684524  0.358434  1
  Nb  Nb58  1  0.957439  0.198526  0.342526  1
  Nb  Nb59  1  0.913028  0.353648  0.359062  1
  Nb  Nb60  1  0.859658  0.507412  0.378222  1
  Nb  Nb61  1  0.294545  0.366895  0.343405  1
  Nb  Nb62  1  0.243476  0.521488  0.359792  1
  Nb  Nb63  1  0.192140  0.675092  0.378918  1
  Nb  Nb64  1  0.622965  0.032500  0.342769  1
  Nb  Nb65  1  0.575380  0.187999  0.359225  1
  Nb  Nb66  1  0.531980  0.340081  0.379965  1
  Nb  Nb67  1  0.907652  0.852723  0.358591  1
  Nb  Nb68  1  0.862725  0.006997  0.378955  1
  Nb  Nb69  1  0.288475  0.867279  0.342932  1
  Nb  Nb70  1  0.242417  0.021881  0.359272  1
  Nb  Nb71  1  0.196354  0.174859  0.379178  1
  Nb  Nb72  1  0.528044  0.840350  0.379071  1
  Nb  Nb73  1  0.644408  0.578190  0.397150  1
  Nb  Nb74  1  0.170621  0.377702  0.454559  1
  Nb  Nb75  1  0.265462  0.568599  0.416792  1
  Nb  Nb76  1  0.646911  0.079854  0.398341  1
  Nb  Nb77  1  0.602114  0.234412  0.416415  1
  Nb  Nb78  1  0.553982  0.389493  0.435265  1
  Nb  Nb79  1  0.980987  0.246553  0.398320  1
  Nb  Nb80  1  0.935249  0.401501  0.416260  1
  Nb  Nb81  1  0.884130  0.556115  0.434932  1
  Nb  Nb82  1  0.312589  0.913891  0.398461  1
  Nb  Nb83  1  0.267176  0.068396  0.416351  1
  Nb  Nb84  1  0.219749  0.222778  0.435349  1
  Nb  Nb85  1  0.598879  0.733867  0.416076  1
  Nb  Nb86  1  0.552408  0.888984  0.435106  1
  Nb  Nb87  1  0.977040  0.746394  0.397887  1
  Nb  Nb88  1  0.933509  0.901153  0.415992  1
  Nb  Nb89  1  0.886210  0.055830  0.435073  1
  Nb  Nb90  1  0.217243  0.723078  0.435146  1
  Nb  Nb91  1  0.810417  0.663116  0.398197  1
  Nb  Nb92  1  0.482881  0.497943  0.399047  1
  Nb  Nb93  1  0.431922  0.652173  0.416595  1
  Nb  Nb94  1  0.813803  0.162947  0.398178  1
  Nb  Nb95  1  0.769450  0.317943  0.416250  1
  Nb  Nb96  1  0.720505  0.472730  0.435230  1
  Nb  Nb97  1  0.147850  0.330106  0.398671  1
  Nb  Nb98  1  0.098882  0.485276  0.416390  1
  Nb  Nb99  1  0.050708  0.639708  0.435153  1
  Nb  Nb100  1  0.479956  0.996642  0.398481  1
  Nb  Nb101  1  0.434403  0.151505  0.416401  1
  Nb  Nb102  1  0.386682  0.305907  0.435622  1
  Nb  Nb103  1  0.766320  0.817791  0.416075  1
  Nb  Nb104  1  0.719488  0.972441  0.435102  1
  Nb  Nb105  1  0.144677  0.830353  0.398339  1
  Nb  Nb106  1  0.100363  0.984922  0.416185  1
  Nb  Nb107  1  0.052870  0.139385  0.435170  1
  Nb  Nb108  1  0.384879  0.806289  0.435210  1
  Nb  Nb109  1  0.504375  0.544696  0.454231  1
  Nb  Nb110  1  0.028122  0.342182  0.510263  1
  Nb  Nb111  1  0.122538  0.532761  0.472685  1
  Nb  Nb112  1  0.504880  0.044094  0.454018  1
  Nb  Nb113  1  0.457919  0.199067  0.472559  1
  Nb  Nb114  1  0.410094  0.354068  0.491300  1
  Nb  Nb115  1  0.838760  0.210812  0.453974  1
  Nb  Nb116  1  0.791363  0.365881  0.472499  1
  Nb  Nb117  1  0.742771  0.520678  0.491296  1
  Nb  Nb118  1  0.170556  0.877764  0.454040  1
  Nb  Nb119  1  0.123987  0.032492  0.472494  1
  Nb  Nb120  1  0.076578  0.187171  0.491326  1
  Nb  Nb121  1  0.456341  0.699312  0.472578  1
  Nb  Nb122  1  0.409753  0.853821  0.491211  1
  Nb  Nb123  1  0.836584  0.710892  0.453923  1
  Nb  Nb124  1  0.790614  0.865708  0.472383  1
  Nb  Nb125  1  0.743669  0.020394  0.491212  1
  Nb  Nb126  1  0.075540  0.687433  0.491263  1
  Nb  Nb127  1  0.670072  0.627393  0.453789  1
  Nb  Nb128  1  0.337464  0.461369  0.454359  1
  Nb  Nb129  1  0.289294  0.616158  0.472688  1
  Nb  Nb130  1  0.671901  0.127402  0.453984  1
  Nb  Nb131  1  0.624963  0.282540  0.472462  1
  Nb  Nb132  1  0.576593  0.437392  0.491219  1
  Nb  Nb133  1  0.005148  0.294291  0.454156  1
  Nb  Nb134  1  0.957030  0.449317  0.472680  1
  Nb  Nb135  1  0.908786  0.604005  0.491202  1
  Nb  Nb136  1  0.337740  0.960998  0.454073  1
  Nb  Nb137  1  0.290879  0.115834  0.472544  1
  Nb  Nb138  1  0.243203  0.270558  0.491435  1
  Nb  Nb139  1  0.623546  0.782266  0.472383  1
  Nb  Nb140  1  0.576904  0.937007  0.491172  1
  Nb  Nb141  1  0.003472  0.794317  0.453915  1
  Nb  Nb142  1  0.957411  0.949097  0.472421  1
  Nb  Nb143  1  0.910030  0.103757  0.491245  1
  Nb  Nb144  1  0.242474  0.770709  0.491248  1
  Nb  Nb145  1  0.361156  0.509101  0.510116  1
  Nb  Nb146  1  0.884691  0.306743  0.566285  1
  Nb  Nb147  1  0.980162  0.497057  0.528893  1
  Nb  Nb148  1  0.362208  0.008585  0.509901  1
  Nb  Nb149  1  0.314539  0.163557  0.528614  1
  Nb  Nb150  1  0.267009  0.318574  0.547201  1
  Nb  Nb151  1  0.695996  0.175433  0.509824  1
  Nb  Nb152  1  0.648161  0.330430  0.528549  1
  Nb  Nb153  1  0.599860  0.485041  0.547290  1
  Nb  Nb154  1  0.028545  0.842218  0.509997  1
  Nb  Nb155  1  0.981473  0.996898  0.528755  1
  Nb  Nb156  1  0.933219  0.151679  0.547359  1
  Nb  Nb157  1  0.313679  0.663702  0.528840  1
  Nb  Nb158  1  0.267359  0.818482  0.547263  1
  Nb  Nb159  1  0.694714  0.675434  0.509955  1
  Nb  Nb160  1  0.648316  0.830097  0.528611  1
  Nb  Nb161  1  0.601522  0.984902  0.547238  1
  Nb  Nb162  1  0.933592  0.651870  0.547238  1
  Nb  Nb163  1  0.527934  0.592215  0.510069  1
  Nb  Nb164  1  0.194702  0.425707  0.510219  1
  Nb  Nb165  1  0.146766  0.580520  0.528871  1
  Nb  Nb166  1  0.529281  0.091929  0.509842  1
  Nb  Nb167  1  0.481624  0.246976  0.528538  1
  Nb  Nb168  1  0.433710  0.402060  0.547121  1
  Nb  Nb169  1  0.862364  0.258841  0.509960  1
  Nb  Nb170  1  0.813830  0.413627  0.528853  1
  Nb  Nb171  1  0.766595  0.568421  0.547277  1
  Nb  Nb172  1  0.195317  0.925477  0.510043  1
  Nb  Nb173  1  0.147576  0.080160  0.528626  1
  Nb  Nb174  1  0.099885  0.235130  0.547315  1
  Nb  Nb175  1  0.480946  0.746741  0.528688  1
  Nb  Nb176  1  0.434593  0.901350  0.547110  1
  Nb  Nb177  1  0.861690  0.758829  0.509968  1
  Nb  Nb178  1  0.815071  0.913516  0.528637  1
  Nb  Nb179  1  0.767552  0.068216  0.547405  1
  Nb  Nb180  1  0.100564  0.735346  0.547317  1
  Nb  Nb181  1  0.218101  0.473843  0.566148  1
  Nb  Nb182  1  0.742910  0.271545  0.623034  1
  Nb  Nb183  1  0.836527  0.461259  0.585180  1
  Nb  Nb184  1  0.219653  0.973292  0.566173  1
  Nb  Nb185  1  0.169435  0.128061  0.584587  1
  Nb  Nb186  1  0.122886  0.283235  0.602754  1
  Nb  Nb187  1  0.554056  0.139802  0.565490  1
  Nb  Nb188  1  0.506108  0.295071  0.584462  1
  Nb  Nb189  1  0.456983  0.449289  0.603041  1
  Nb  Nb190  1  0.886899  0.806716  0.566099  1
  Nb  Nb191  1  0.838756  0.961313  0.584917  1
  Nb  Nb192  1  0.791276  0.115549  0.603573  1
  Nb  Nb193  1  0.170660  0.628445  0.585259  1
  Nb  Nb194  1  0.126684  0.783418  0.603311  1
  Nb  Nb195  1  0.552109  0.639797  0.566075  1
  Nb  Nb196  1  0.505542  0.794129  0.584698  1
  Nb  Nb197  1  0.460202  0.948142  0.602726  1
  Nb  Nb198  1  0.791774  0.615985  0.602917  1
  Nb  Nb199  1  0.384894  0.556825  0.566182  1
  Nb  Nb200  1  0.051331  0.390279  0.566160  1
  Nb  Nb201  1  0.003619  0.544842  0.585147  1
  Nb  Nb202  1  0.386120  0.055832  0.565456  1
  Nb  Nb203  1  0.338376  0.211205  0.584548  1
  Nb  Nb204  1  0.290828  0.366928  0.602544  1
  Nb  Nb205  1  0.720417  0.223550  0.565771  1
  Nb  Nb206  1  0.670510  0.377782  0.585217  1
  Nb  Nb207  1  0.623987  0.532414  0.602955  1
  Nb  Nb208  1  0.053266  0.890186  0.566157  1
  Nb  Nb209  1  0.005208  0.044949  0.585096  1
  Nb  Nb210  1  0.956297  0.199935  0.603317  1
  Nb  Nb211  1  0.337669  0.711382  0.585091  1
  Nb  Nb212  1  0.292746  0.866304  0.603052  1
  Nb  Nb213  1  0.719621  0.723260  0.566013  1
  Nb  Nb214  1  0.673007  0.878007  0.584818  1
  Nb  Nb215  1  0.625103  0.032875  0.603708  1
  Nb  Nb216  1  0.959566  0.699524  0.602958  1
  Nb  Nb217  1  0.074220  0.438876  0.622164  1
  Nb  Nb218  1  0.599565  0.233189  0.679743  1
  Nb  Nb219  1  0.693118  0.424988  0.642217  1
  Nb  Nb220  1  0.077313  0.939055  0.622296  1
  Nb  Nb221  1  0.030100  0.093555  0.642471  1
  Nb  Nb222  1  0.984267  0.249618  0.660173  1
  Nb  Nb223  1  0.409086  0.101818  0.619587  1
  Nb  Nb224  1  0.362352  0.259735  0.639512  1
  Nb  Nb225  1  0.311900  0.412565  0.658848  1
  Nb  Nb226  1  0.744246  0.771571  0.621977  1
  Nb  Nb227  1  0.698421  0.925140  0.641825  1
  Nb  Nb228  1  0.646120  0.080020  0.661370  1
  Nb  Nb229  1  0.029086  0.592156  0.642307  1
  Nb  Nb230  1  0.983592  0.747784  0.658419  1
  Nb  Nb231  1  0.408283  0.605068  0.622244  1
  Nb  Nb232  1  0.365251  0.758493  0.641844  1
  Nb  Nb233  1  0.317675  0.915042  0.658693  1
  Nb  Nb234  1  0.647414  0.580214  0.658524  1
  Nb  Nb235  1  0.241149  0.522370  0.622338  1
  Nb  Nb236  1  0.908309  0.355148  0.622395  1
  Nb  Nb237  1  0.860835  0.508938  0.642165  1
  Nb  Nb238  1  0.243270  0.022293  0.622534  1
  Nb  Nb239  1  0.192228  0.175769  0.640631  1
  Nb  Nb240  1  0.149750  0.330943  0.658714  1
  Nb  Nb241  1  0.580658  0.188834  0.620598  1
  Nb  Nb242  1  0.527875  0.341389  0.642405  1
  Nb  Nb243  1  0.478913  0.496624  0.658644  1
  Nb  Nb244  1  0.912097  0.855044  0.622293  1
  Nb  Nb245  1  0.863915  0.008325  0.641480  1
  Nb  Nb246  1  0.813029  0.163153  0.658985  1
  Nb  Nb247  1  0.196560  0.676518  0.642669  1
  Nb  Nb248  1  0.152972  0.833322  0.659938  1
  Nb  Nb249  1  0.576591  0.687717  0.621991  1
  Nb  Nb250  1  0.533001  0.840451  0.641326  1
  Nb  Nb251  1  0.481681  0.994307  0.659445  1
  Nb  Nb252  1  0.815979  0.664136  0.658555  1
  Nb  Nb253  1  0.931635  0.402664  0.678139  1
  Nb  Nb254  1  0.456572  0.145736  0.719714  1
  Nb  Nb255  1  0.545195  0.382358  0.695829  1
  Nb  Nb256  1  0.937629  0.900798  0.678516  1
  Nb  Nb257  1  0.885537  0.049089  0.694890  1
  Nb  Nb258  1  0.846802  0.193612  0.708483  1
  Nb  Nb259  1  0.273228  0.069798  0.680094  1
  Nb  Nb260  1  0.222744  0.217417  0.695694  1
  Nb  Nb261  1  0.156332  0.359899  0.709523  1
  Nb  Nb262  1  0.605426  0.733016  0.678402  1
  Nb  Nb263  1  0.553050  0.881223  0.694407  1
  Nb  Nb264  1  0.499937  0.024157  0.710779  1
  Nb  Nb265  1  0.881109  0.551000  0.695841  1
  Nb  Nb266  1  0.847503  0.694316  0.708657  1
  Nb  Nb267  1  0.269500  0.566885  0.678670  1
  Nb  Nb268  1  0.217791  0.718892  0.695709  1
  Nb  Nb269  1  0.175582  0.867096  0.710518  1
  Nb  Nb270  1  0.509835  0.525848  0.708585  1
  Nb  Nb271  1  0.102181  0.484432  0.678489  1
  Nb  Nb272  1  0.768502  0.316917  0.678647  1
  Nb  Nb273  1  0.711915  0.466511  0.695694  1
  Nb  Nb274  1  0.100482  0.987339  0.678356  1
  Nb  Nb275  1  0.048381  0.137546  0.695854  1
  Nb  Nb276  1  0.007052  0.286107  0.710682  1
  Nb  Nb277  1  0.434917  0.147975  0.669513  1
  Nb  Nb278  1  0.383622  0.292112  0.695336  1
  Nb  Nb279  1  0.341900  0.437974  0.708356  1
  Nb  Nb280  1  0.771969  0.817301  0.678484  1
  Nb  Nb281  1  0.720241  0.966448  0.694938  1
  Nb  Nb282  1  0.668543  0.114792  0.711801  1
  Nb  Nb283  1  0.050378  0.633736  0.695684  1
  Nb  Nb284  1  0.015276  0.777109  0.708557  1
  Nb  Nb285  1  0.437289  0.649755  0.678475  1
  Nb  Nb286  1  0.388906  0.798765  0.694759  1
  Nb  Nb287  1  0.324560  0.940504  0.709658  1
  Nb  Nb288  1  0.679444  0.609970  0.708632  1
