# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87013997
_cell_length_b   11.89185301
_cell_length_c   48.04868006
_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   6453.4091003
_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  0.567508  0.898782  0.326329  1
  Nb  Nb2  1  0.047598  0.706552  0.278717  1
  Nb  Nb3  1  0.930245  0.939663  0.309566  1
  Nb  Nb4  1  0.327217  0.993225  0.294338  1
  Nb  Nb5  1  0.651185  0.654847  0.297998  1
  Nb  Nb6  1  0.972776  0.302250  0.292212  1
  Nb  Nb7  1  0.372472  0.379408  0.279997  1
  Nb  Nb8  1  0.274037  0.606437  0.311468  1
  Nb  Nb9  1  0.610298  0.266307  0.311260  1
  Nb  Nb10  1  0.846228  0.184689  0.285380  1
  Nb  Nb11  1  0.167271  0.832103  0.283812  1
  Nb  Nb12  1  0.089528  0.080178  0.318203  1
  Nb  Nb13  1  0.449636  0.120268  0.300812  1
  Nb  Nb14  1  0.803668  0.807218  0.302949  1
  Nb  Nb15  1  0.119654  0.466010  0.303467  1
  Nb  Nb16  1  0.501948  0.496755  0.284895  1
  Nb  Nb17  1  0.418319  0.753219  0.317327  1
  Nb  Nb18  1  0.749969  0.420332  0.318339  1
  Nb  Nb19  1  0.447423  0.781738  0.375791  1
  Nb  Nb20  1  0.912600  0.563797  0.322180  1
  Nb  Nb21  1  0.821714  0.823277  0.359878  1
  Nb  Nb22  1  0.192288  0.862433  0.341452  1
  Nb  Nb23  1  0.524602  0.523907  0.342318  1
  Nb  Nb24  1  0.862785  0.192743  0.343604  1
  Nb  Nb25  1  0.227692  0.238141  0.324922  1
  Nb  Nb26  1  0.154372  0.487914  0.360646  1
  Nb  Nb27  1  0.486450  0.153681  0.360124  1
  Nb  Nb28  1  0.706731  0.056469  0.332587  1
  Nb  Nb29  1  0.049507  0.716067  0.336501  1
  Nb  Nb30  1  0.966504  0.970539  0.368448  1
  Nb  Nb31  1  0.340850  0.008250  0.351738  1
  Nb  Nb32  1  0.676861  0.673815  0.348747  1
  Nb  Nb33  1  0.007644  0.340705  0.351261  1
  Nb  Nb34  1  0.380097  0.376167  0.335922  1
  Nb  Nb35  1  0.302899  0.635184  0.368747  1
  Nb  Nb36  1  0.635397  0.301875  0.368621  1
  Nb  Nb37  1  0.332359  0.665116  0.427050  1
  Nb  Nb38  1  0.784102  0.449248  0.375570  1
  Nb  Nb39  1  0.703951  0.703879  0.409629  1
  Nb  Nb40  1  0.076774  0.744266  0.393932  1
  Nb  Nb41  1  0.410057  0.409801  0.394008  1
  Nb  Nb42  1  0.742136  0.076381  0.392926  1
  Nb  Nb43  1  0.115960  0.115665  0.376156  1
  Nb  Nb44  1  0.036499  0.370769  0.410109  1
  Nb  Nb45  1  0.370572  0.036287  0.410297  1
  Nb  Nb46  1  0.596619  0.927978  0.384107  1
  Nb  Nb47  1  0.927486  0.596455  0.384072  1
  Nb  Nb48  1  0.850673  0.851076  0.418538  1
  Nb  Nb49  1  0.223070  0.890390  0.401462  1
  Nb  Nb50  1  0.558742  0.558055  0.401030  1
  Nb  Nb51  1  0.890178  0.224275  0.402024  1
  Nb  Nb52  1  0.261517  0.261662  0.384838  1
  Nb  Nb53  1  0.183675  0.517759  0.418724  1
  Nb  Nb54  1  0.517498  0.183551  0.418470  1
  Nb  Nb55  1  0.213878  0.547244  0.477189  1
  Nb  Nb56  1  0.665488  0.332135  0.426776  1
  Nb  Nb57  1  0.586901  0.586531  0.460215  1
  Nb  Nb58  1  0.958401  0.625498  0.443313  1
  Nb  Nb59  1  0.291908  0.291902  0.443632  1
  Nb  Nb60  1  0.625671  0.958608  0.443387  1
  Nb  Nb61  1  0.997768  0.999034  0.426892  1
  Nb  Nb62  1  0.919900  0.253437  0.460627  1
  Nb  Nb63  1  0.252903  0.919790  0.460397  1
  Nb  Nb64  1  0.478712  0.811740  0.434828  1
  Nb  Nb65  1  0.811976  0.479132  0.435038  1
  Nb  Nb66  1  0.733340  0.733436  0.468602  1
  Nb  Nb67  1  0.106257  0.772950  0.452242  1
  Nb  Nb68  1  0.439893  0.439671  0.452016  1
  Nb  Nb69  1  0.772399  0.106094  0.451818  1
  Nb  Nb70  1  0.145172  0.145144  0.435275  1
  Nb  Nb71  1  0.066765  0.400123  0.468921  1
  Nb  Nb72  1  0.400173  0.066571  0.468872  1
  Nb  Nb73  1  0.096758  0.429833  0.527749  1
  Nb  Nb74  1  0.547320  0.213932  0.477044  1
  Nb  Nb75  1  0.469153  0.468972  0.510719  1
  Nb  Nb76  1  0.841761  0.508265  0.493967  1
  Nb  Nb77  1  0.174908  0.174847  0.494115  1
  Nb  Nb78  1  0.508096  0.841288  0.493744  1
  Nb  Nb79  1  0.880678  0.880475  0.477109  1
  Nb  Nb80  1  0.802185  0.135313  0.510605  1
  Nb  Nb81  1  0.135762  0.802200  0.510876  1
  Nb  Nb82  1  0.361446  0.694562  0.485632  1
  Nb  Nb83  1  0.694745  0.361020  0.485473  1
  Nb  Nb84  1  0.616488  0.615649  0.519048  1
  Nb  Nb85  1  0.988471  0.655057  0.502257  1
  Nb  Nb86  1  0.321976  0.321834  0.502340  1
  Nb  Nb87  1  0.655335  0.988431  0.502215  1
  Nb  Nb88  1  0.027558  0.027895  0.485563  1
  Nb  Nb89  1  0.949660  0.282722  0.519311  1
  Nb  Nb90  1  0.282392  0.949468  0.519207  1
  Nb  Nb91  1  0.979758  0.312072  0.578084  1
  Nb  Nb92  1  0.429903  0.096359  0.527491  1
  Nb  Nb93  1  0.351628  0.351415  0.561164  1
  Nb  Nb94  1  0.724415  0.390021  0.544103  1
  Nb  Nb95  1  0.056998  0.057227  0.544202  1
  Nb  Nb96  1  0.390869  0.723963  0.544366  1
  Nb  Nb97  1  0.763266  0.763062  0.527370  1
  Nb  Nb98  1  0.685150  0.018053  0.561128  1
  Nb  Nb99  1  0.018243  0.684631  0.561172  1
  Nb  Nb100  1  0.243554  0.576803  0.535806  1
  Nb  Nb101  1  0.576983  0.243380  0.535754  1
  Nb  Nb102  1  0.498509  0.498027  0.569484  1
  Nb  Nb103  1  0.872178  0.537603  0.552857  1
  Nb  Nb104  1  0.204668  0.205046  0.552986  1
  Nb  Nb105  1  0.537690  0.870842  0.552363  1
  Nb  Nb106  1  0.910359  0.909877  0.535815  1
  Nb  Nb107  1  0.831772  0.164365  0.569337  1
  Nb  Nb108  1  0.164879  0.831549  0.569704  1
  Nb  Nb109  1  0.859923  0.193046  0.628290  1
  Nb  Nb110  1  0.311275  0.979506  0.577879  1
  Nb  Nb111  1  0.235159  0.236363  0.612250  1
  Nb  Nb112  1  0.606423  0.272696  0.594526  1
  Nb  Nb113  1  0.939699  0.939165  0.594681  1
  Nb  Nb114  1  0.272502  0.606148  0.594399  1
  Nb  Nb115  1  0.646791  0.644581  0.577594  1
  Nb  Nb116  1  0.567159  0.899632  0.610614  1
  Nb  Nb117  1  0.903882  0.567275  0.612046  1
  Nb  Nb118  1  0.127169  0.459815  0.586740  1
  Nb  Nb119  1  0.459374  0.126267  0.586058  1
  Nb  Nb120  1  0.380724  0.380326  0.620461  1
  Nb  Nb121  1  0.755123  0.419069  0.602450  1
  Nb  Nb122  1  0.086802  0.087217  0.602641  1
  Nb  Nb123  1  0.420074  0.753805  0.602903  1
  Nb  Nb124  1  0.793303  0.792304  0.586032  1
  Nb  Nb125  1  0.714219  0.047504  0.620093  1
  Nb  Nb126  1  0.047044  0.713595  0.620439  1
  Nb  Nb127  1  0.736868  0.077600  0.682588  1
  Nb  Nb128  1  0.193114  0.860541  0.628717  1
  Nb  Nb129  1  0.117894  0.114726  0.660466  1
  Nb  Nb130  1  0.489260  0.154673  0.644720  1
  Nb  Nb131  1  0.822052  0.821837  0.644812  1
  Nb  Nb132  1  0.159168  0.492478  0.647192  1
  Nb  Nb133  1  0.528014  0.528230  0.627868  1
  Nb  Nb134  1  0.449505  0.782110  0.662391  1
  Nb  Nb135  1  0.781731  0.449332  0.660253  1
  Nb  Nb136  1  0.012238  0.342482  0.636710  1
  Nb  Nb137  1  0.342028  0.008800  0.636233  1
  Nb  Nb138  1  0.265343  0.261172  0.672839  1
  Nb  Nb139  1  0.635765  0.302426  0.653028  1
  Nb  Nb140  1  0.966273  0.972345  0.653071  1
  Nb  Nb141  1  0.302312  0.635150  0.652362  1
  Nb  Nb142  1  0.676982  0.673380  0.635942  1
  Nb  Nb143  1  0.597423  0.924628  0.668409  1
  Nb  Nb144  1  0.930773  0.589420  0.672388  1
  Nb  Nb145  1  0.605768  0.926356  0.724625  1
  Nb  Nb146  1  0.063640  0.754662  0.680328  1
  Nb  Nb147  1  0.004012  0.008423  0.712116  1
  Nb  Nb148  1  0.367325  0.039804  0.693296  1
  Nb  Nb149  1  0.707255  0.697195  0.693437  1
  Nb  Nb150  1  0.035728  0.367686  0.693083  1
  Nb  Nb151  1  0.419753  0.404897  0.678336  1
  Nb  Nb152  1  0.312949  0.644527  0.708352  1
  Nb  Nb153  1  0.671984  0.340024  0.712367  1
  Nb  Nb154  1  0.892094  0.226598  0.684963  1
  Nb  Nb155  1  0.228328  0.888456  0.686091  1
  Nb  Nb156  1  0.128110  0.129381  0.718368  1
  Nb  Nb157  1  0.532357  0.171733  0.700953  1
  Nb  Nb158  1  0.862026  0.839413  0.700781  1
  Nb  Nb159  1  0.190462  0.517878  0.703878  1
  Nb  Nb160  1  0.554789  0.561123  0.685888  1
  Nb  Nb161  1  0.476639  0.810008  0.719676  1
  Nb  Nb162  1  0.797558  0.459334  0.718577  1
