# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.38374617
_cell_length_b   10.38753683
_cell_length_c   47.60564189
_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   5109.07952568
_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  0.982561  0.284987  0.295604  1
  Nb  Nb2  1  0.292285  0.932923  0.295400  1
  Nb  Nb3  1  0.234699  0.226893  0.308458  1
  Nb  Nb4  1  0.635563  0.631009  0.295588  1
  Nb  Nb5  1  0.569582  0.905181  0.309301  1
  Nb  Nb6  1  0.523056  0.191444  0.326045  1
  Nb  Nb7  1  0.899138  0.562727  0.309228  1
  Nb  Nb8  1  0.847625  0.847665  0.324986  1
  Nb  Nb9  1  0.183348  0.511630  0.324996  1
  Nb  Nb10  1  0.009573  0.341949  0.343415  1
  Nb  Nb11  1  0.343449  0.012568  0.341234  1
  Nb  Nb12  1  0.432880  0.423389  0.302626  1
  Nb  Nb13  1  0.674768  0.678193  0.343268  1
  Nb  Nb14  1  0.764686  0.094631  0.302051  1
  Nb  Nb15  1  0.717493  0.381386  0.317431  1
  Nb  Nb16  1  0.088315  0.747816  0.302410  1
  Nb  Nb17  1  0.046310  0.041538  0.317053  1
  Nb  Nb18  1  0.378516  0.712541  0.316511  1
  Nb  Nb19  1  0.826037  0.157369  0.348553  1
  Nb  Nb20  1  0.154619  0.821618  0.348583  1
  Nb  Nb21  1  0.127906  0.127772  0.369110  1
  Nb  Nb22  1  0.491368  0.494942  0.348797  1
  Nb  Nb23  1  0.458027  0.798801  0.368863  1
  Nb  Nb24  1  0.433472  0.102974  0.391507  1
  Nb  Nb25  1  0.793285  0.462724  0.370285  1
  Nb  Nb26  1  0.766105  0.769955  0.391996  1
  Nb  Nb27  1  0.101188  0.435006  0.391976  1
  Nb  Nb28  1  0.915013  0.249319  0.403004  1
  Nb  Nb29  1  0.248254  0.917348  0.402180  1
  Nb  Nb30  1  0.312577  0.312976  0.359234  1
  Nb  Nb31  1  0.580296  0.584985  0.403008  1
  Nb  Nb32  1  0.644826  0.981231  0.359170  1
  Nb  Nb33  1  0.613209  0.282769  0.379210  1
  Nb  Nb34  1  0.977301  0.644611  0.359794  1
  Nb  Nb35  1  0.945349  0.946893  0.379063  1
  Nb  Nb36  1  0.278718  0.614434  0.378753  1
  Nb  Nb37  1  0.735354  0.071443  0.412260  1
  Nb  Nb38  1  0.068677  0.737477  0.412321  1
  Nb  Nb39  1  0.038219  0.039887  0.432889  1
  Nb  Nb40  1  0.402411  0.404726  0.412219  1
  Nb  Nb41  1  0.370979  0.707590  0.432796  1
  Nb  Nb42  1  0.341472  0.010556  0.454236  1
  Nb  Nb43  1  0.704315  0.373624  0.433323  1
  Nb  Nb44  1  0.674367  0.677533  0.454542  1
  Nb  Nb45  1  0.008372  0.343602  0.454446  1
  Nb  Nb46  1  0.826035  0.161576  0.465210  1
  Nb  Nb47  1  0.159657  0.828661  0.464989  1
  Nb  Nb48  1  0.219964  0.221667  0.422479  1
  Nb  Nb49  1  0.492476  0.495378  0.465233  1
  Nb  Nb50  1  0.552494  0.889322  0.422505  1
  Nb  Nb51  1  0.523693  0.192924  0.443537  1
  Nb  Nb52  1  0.886100  0.555151  0.422963  1
  Nb  Nb53  1  0.856907  0.859617  0.443644  1
  Nb  Nb54  1  0.190820  0.526280  0.443513  1
  Nb  Nb55  1  0.644494  0.980523  0.475227  1
  Nb  Nb56  1  0.978130  0.647251  0.475242  1
  Nb  Nb57  1  0.947983  0.950138  0.496382  1
  Nb  Nb58  1  0.311571  0.313816  0.475132  1
  Nb  Nb59  1  0.281261  0.617171  0.496377  1
  Nb  Nb60  1  0.251521  0.920344  0.517470  1
  Nb  Nb61  1  0.614274  0.283573  0.496483  1
  Nb  Nb62  1  0.584376  0.587277  0.517623  1
  Nb  Nb63  1  0.918147  0.253752  0.517388  1
  Nb  Nb64  1  0.736171  0.071815  0.528019  1
  Nb  Nb65  1  0.069735  0.738611  0.528027  1
  Nb  Nb66  1  0.129842  0.131879  0.485644  1
  Nb  Nb67  1  0.402679  0.405440  0.528090  1
  Nb  Nb68  1  0.462764  0.798839  0.485749  1
  Nb  Nb69  1  0.433062  0.102061  0.506824  1
  Nb  Nb70  1  0.796103  0.465394  0.485863  1
  Nb  Nb71  1  0.766191  0.768871  0.506936  1
  Nb  Nb72  1  0.099996  0.435656  0.506735  1
  Nb  Nb73  1  0.554652  0.890418  0.538259  1
  Nb  Nb74  1  0.888110  0.557518  0.538063  1
  Nb  Nb75  1  0.857245  0.859251  0.559694  1
  Nb  Nb76  1  0.221821  0.223931  0.537982  1
  Nb  Nb77  1  0.190496  0.526343  0.559690  1
  Nb  Nb78  1  0.161808  0.830081  0.580705  1
  Nb  Nb79  1  0.523678  0.192978  0.559658  1
  Nb  Nb80  1  0.494031  0.497463  0.580797  1
  Nb  Nb81  1  0.828322  0.163836  0.580286  1
  Nb  Nb82  1  0.645954  0.981284  0.590931  1
  Nb  Nb83  1  0.978780  0.647628  0.590999  1
  Nb  Nb84  1  0.039923  0.041667  0.548715  1
  Nb  Nb85  1  0.311919  0.314580  0.591006  1
  Nb  Nb86  1  0.372790  0.708617  0.548997  1
  Nb  Nb87  1  0.343485  0.011779  0.570328  1
  Nb  Nb88  1  0.705819  0.375521  0.548801  1
  Nb  Nb89  1  0.675816  0.679043  0.570487  1
  Nb  Nb90  1  0.009861  0.345640  0.569915  1
  Nb  Nb91  1  0.466068  0.801735  0.601067  1
  Nb  Nb92  1  0.798467  0.469657  0.600260  1
  Nb  Nb93  1  0.769057  0.771270  0.624475  1
  Nb  Nb94  1  0.134137  0.134949  0.600219  1
  Nb  Nb95  1  0.100676  0.436768  0.624027  1
  Nb  Nb96  1  0.070520  0.737391  0.643979  1
  Nb  Nb97  1  0.436513  0.104570  0.624210  1
  Nb  Nb98  1  0.402203  0.405100  0.644103  1
  Nb  Nb99  1  0.738890  0.072609  0.643453  1
  Nb  Nb100  1  0.561883  0.895295  0.654667  1
  Nb  Nb101  1  0.888578  0.558562  0.654435  1
  Nb  Nb102  1  0.948501  0.948803  0.611234  1
  Nb  Nb103  1  0.226103  0.223858  0.654700  1
  Nb  Nb104  1  0.280466  0.616504  0.611733  1
  Nb  Nb105  1  0.255680  0.922047  0.634107  1
  Nb  Nb106  1  0.613456  0.283804  0.611289  1
  Nb  Nb107  1  0.584646  0.591933  0.634414  1
  Nb  Nb108  1  0.920763  0.256639  0.632959  1
  Nb  Nb109  1  0.370905  0.706489  0.662010  1
  Nb  Nb110  1  0.705310  0.375134  0.659987  1
  Nb  Nb111  1  0.671081  0.671358  0.686739  1
  Nb  Nb112  1  0.041562  0.040321  0.659821  1
  Nb  Nb113  1  1.002189  0.332338  0.685812  1
  Nb  Nb114  1  0.960457  0.616820  0.700602  1
  Nb  Nb115  1  0.341991  0.003496  0.686199  1
  Nb  Nb116  1  0.289093  0.284945  0.701204  1
  Nb  Nb117  1  0.635843  0.961484  0.700836  1
  Nb  Nb118  1  0.450912  0.757303  0.707843  1
  Nb  Nb119  1  0.752686  0.414241  0.707658  1
  Nb  Nb120  1  0.871951  0.866531  0.678227  1
  Nb  Nb121  1  0.098611  0.067230  0.707636  1
  Nb  Nb122  1  0.192058  0.526842  0.677200  1
  Nb  Nb123  1  0.156719  0.815192  0.694776  1
  Nb  Nb124  1  0.535860  0.202228  0.678284  1
  Nb  Nb125  1  0.478342  0.480260  0.693960  1
  Nb  Nb126  1  0.820811  0.150708  0.694016  1
