# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38501040
_cell_length_b   10.38868535
_cell_length_c   48.13667506
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb126
_cell_volume   5167.27071404
_cell_formula_units_Z   126
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  0.831141  0.165094  0.342357  1
  Nb  Nb2  1  0.246545  0.911302  0.281040  1
  Nb  Nb3  1  0.237932  0.211629  0.303561  1
  Nb  Nb4  1  0.577311  0.580513  0.281037  1
  Nb  Nb5  1  0.569674  0.903650  0.297624  1
  Nb  Nb6  1  0.532886  0.201374  0.321669  1
  Nb  Nb7  1  0.877686  0.571923  0.303557  1
  Nb  Nb8  1  0.867396  0.866882  0.321678  1
  Nb  Nb9  1  0.193459  0.527475  0.321109  1
  Nb  Nb10  1  0.014502  0.348485  0.330754  1
  Nb  Nb11  1  0.342576  0.024932  0.330846  1
  Nb  Nb12  1  0.424735  0.429955  0.289797  1
  Nb  Nb13  1  0.690976  0.676564  0.330841  1
  Nb  Nb14  1  0.723678  0.057638  0.291157  1
  Nb  Nb15  1  0.713538  0.369396  0.311917  1
  Nb  Nb16  1  0.095969  0.758751  0.289795  1
  Nb  Nb17  1  0.035391  0.047516  0.311926  1
  Nb  Nb18  1  0.381343  0.715322  0.313442  1
  Nb  Nb19  1  0.740568  0.074507  0.405096  1
  Nb  Nb20  1  0.165414  0.835484  0.343304  1
  Nb  Nb21  1  0.130209  0.137856  0.363252  1
  Nb  Nb22  1  0.501496  0.499378  0.343299  1
  Nb  Nb23  1  0.470401  0.804353  0.362241  1
  Nb  Nb24  1  0.436902  0.106583  0.384146  1
  Nb  Nb25  1  0.803911  0.464168  0.363238  1
  Nb  Nb26  1  0.772660  0.770879  0.384149  1
  Nb  Nb27  1  0.104240  0.438176  0.383504  1
  Nb  Nb28  1  0.922421  0.256357  0.394684  1
  Nb  Nb29  1  0.257321  0.925245  0.394313  1
  Nb  Nb30  1  0.316537  0.321941  0.351658  1
  Nb  Nb31  1  0.591339  0.591286  0.394303  1
  Nb  Nb32  1  0.647946  0.981924  0.352740  1
  Nb  Nb33  1  0.618674  0.285063  0.374030  1
  Nb  Nb34  1  0.988000  0.650531  0.351660  1
  Nb  Nb35  1  0.951114  0.952634  0.374046  1
  Nb  Nb36  1  0.286136  0.620075  0.373572  1
  Nb  Nb37  1  0.651533  0.985411  0.467747  1
  Nb  Nb38  1  0.075430  0.741637  0.405116  1
  Nb  Nb39  1  0.045146  0.045058  0.425977  1
  Nb  Nb40  1  0.407690  0.409335  0.405106  1
  Nb  Nb41  1  0.378941  0.712847  0.425423  1
  Nb  Nb42  1  0.348183  0.015585  0.446841  1
  Nb  Nb43  1  0.711177  0.379112  0.425942  1
  Nb  Nb44  1  0.681755  0.682190  0.446835  1
  Nb  Nb45  1  0.015080  0.348965  0.446600  1
  Nb  Nb46  1  0.833165  0.167068  0.457233  1
  Nb  Nb47  1  0.167102  0.833771  0.457157  1
  Nb  Nb48  1  0.226675  0.227936  0.415108  1
  Nb  Nb49  1  0.499898  0.501024  0.457118  1
  Nb  Nb50  1  0.559905  0.893836  0.415413  1
  Nb  Nb51  1  0.529506  0.197086  0.436501  1
  Nb  Nb52  1  0.894072  0.560654  0.415089  1
  Nb  Nb53  1  0.863203  0.863445  0.436530  1
  Nb  Nb54  1  0.196593  0.530496  0.436165  1
  Nb  Nb55  1  0.561986  0.895669  0.530382  1
  Nb  Nb56  1  0.985025  0.652142  0.467652  1
  Nb  Nb57  1  0.955152  0.955444  0.488664  1
  Nb  Nb58  1  0.318174  0.318847  0.467642  1
  Nb  Nb59  1  0.288462  0.622361  0.488369  1
  Nb  Nb60  1  0.258237  0.925395  0.509651  1
  Nb  Nb61  1  0.621615  0.289068  0.488570  1
  Nb  Nb62  1  0.591558  0.592266  0.509566  1
  Nb  Nb63  1  0.925111  0.258886  0.509391  1
  Nb  Nb64  1  0.743340  0.077139  0.519926  1
  Nb  Nb65  1  0.076694  0.743849  0.519928  1
  Nb  Nb66  1  0.136587  0.137159  0.478095  1
  Nb  Nb67  1  0.409943  0.410600  0.519837  1
  Nb  Nb68  1  0.469952  0.803856  0.478099  1
  Nb  Nb69  1  0.439860  0.107082  0.499044  1
  Nb  Nb70  1  0.803441  0.470641  0.478020  1
  Nb  Nb71  1  0.773348  0.773849  0.499109  1
  Nb  Nb72  1  0.106720  0.440598  0.498830  1
  Nb  Nb73  1  0.471669  0.805574  0.592635  1
  Nb  Nb74  1  0.895125  0.562534  0.530304  1
  Nb  Nb75  1  0.865113  0.865647  0.551434  1
  Nb  Nb76  1  0.228446  0.228853  0.530313  1
  Nb  Nb77  1  0.197907  0.532084  0.551115  1
  Nb  Nb78  1  0.167186  0.834840  0.572590  1
  Nb  Nb79  1  0.531794  0.198675  0.551187  1
  Nb  Nb80  1  0.500691  0.501576  0.572294  1
  Nb  Nb81  1  0.835275  0.168471  0.572033  1
  Nb  Nb82  1  0.654175  0.987466  0.582970  1
  Nb  Nb83  1  0.986411  0.654706  0.582809  1
  Nb  Nb84  1  0.046647  0.046713  0.541047  1
  Nb  Nb85  1  0.320498  0.320476  0.582581  1
  Nb  Nb86  1  0.379671  0.713889  0.540770  1
  Nb  Nb87  1  0.350679  0.017433  0.561733  1
  Nb  Nb88  1  0.713420  0.380764  0.540751  1
  Nb  Nb89  1  0.683697  0.684410  0.561749  1
  Nb  Nb90  1  0.017200  0.350961  0.561428  1
  Nb  Nb91  1  0.377663  0.711857  0.654639  1
  Nb  Nb92  1  0.805319  0.473174  0.592801  1
  Nb  Nb93  1  0.774866  0.777937  0.614245  1
  Nb  Nb94  1  0.139318  0.138188  0.592903  1
  Nb  Nb95  1  0.108042  0.441827  0.614069  1
  Nb  Nb96  1  0.075050  0.744996  0.636424  1
  Nb  Nb97  1  0.445439  0.109407  0.614214  1
  Nb  Nb98  1  0.412100  0.408849  0.636171  1
  Nb  Nb99  1  0.747551  0.083302  0.635518  1
  Nb  Nb100  1  0.561722  0.894399  0.645651  1
  Nb  Nb101  1  0.892864  0.568452  0.644883  1
  Nb  Nb102  1  0.955677  0.956392  0.604503  1
  Nb  Nb103  1  0.233998  0.226864  0.644502  1
  Nb  Nb104  1  0.288502  0.622761  0.603230  1
  Nb  Nb105  1  0.261901  0.926344  0.623989  1
  Nb  Nb106  1  0.623844  0.290940  0.603326  1
  Nb  Nb107  1  0.592329  0.594013  0.623829  1
  Nb  Nb108  1  0.927772  0.260654  0.623488  1
  Nb  Nb109  1  0.294287  0.629859  0.714695  1
  Nb  Nb110  1  0.712772  0.383576  0.655243  1
  Nb  Nb111  1  0.677720  0.680970  0.676072  1
  Nb  Nb112  1  0.055437  0.044130  0.656044  1
  Nb  Nb113  1  0.009316  0.341103  0.675986  1
  Nb  Nb114  1  0.977987  0.630787  0.699346  1
  Nb  Nb115  1  0.360474  0.014840  0.676103  1
  Nb  Nb116  1  0.304004  0.311511  0.698435  1
  Nb  Nb117  1  0.668277  0.973285  0.694550  1
  Nb  Nb118  1  0.448325  0.781895  0.707953  1
  Nb  Nb119  1  0.813202  0.492143  0.707276  1
  Nb  Nb120  1  0.856703  0.875075  0.669915  1
  Nb  Nb121  1  0.163640  0.148177  0.707110  1
  Nb  Nb122  1  0.196250  0.530617  0.664930  1
  Nb  Nb123  1  0.162048  0.844906  0.685007  1
  Nb  Nb124  1  0.539371  0.197495  0.666648  1
  Nb  Nb125  1  0.505674  0.494374  0.685410  1
  Nb  Nb126  1  0.850660  0.183794  0.686978  1
