# generated using pymatgen
data_Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.02423687
_cell_length_b   10.19272218
_cell_length_c   54.36394801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb
_chemical_formula_sum   Nb216
_cell_volume   8283.44884492
_cell_formula_units_Z   216
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  0.055954  0.633005  0.235413  1
  Nb  Nb2  1  0.389287  0.299672  0.235413  1
  Nb  Nb3  1  0.390462  0.590710  0.256676  1
  Nb  Nb4  1  0.722621  0.966338  0.235413  1
  Nb  Nb5  1  0.723795  0.257376  0.256676  1
  Nb  Nb6  1  0.687067  0.545025  0.282614  1
  Nb  Nb7  1  0.057128  0.924043  0.256676  1
  Nb  Nb8  1  0.020400  0.211692  0.282614  1
  Nb  Nb9  1  0.353734  0.878359  0.282614  1
  Nb  Nb10  1  0.915580  0.871140  0.236141  1
  Nb  Nb11  1  0.248913  0.537807  0.236141  1
  Nb  Nb12  1  0.213519  0.781800  0.255858  1
  Nb  Nb13  1  0.582247  0.204473  0.236141  1
  Nb  Nb14  1  0.546852  0.448467  0.255858  1
  Nb  Nb15  1  0.523053  0.728698  0.282282  1
  Nb  Nb16  1  0.880185  1.115133  0.255858  1
  Nb  Nb17  1  0.856387  0.395364  0.282282  1
  Nb  Nb18  1  0.189720  1.062031  0.282282  1
  Nb  Nb19  1  0.020400  0.711692  0.282614  1
  Nb  Nb20  1  0.353734  0.378359  0.282614  1
  Nb  Nb21  1  0.389287  0.799672  0.235413  1
  Nb  Nb22  1  0.687067  1.045025  0.282614  1
  Nb  Nb23  1  0.722621  0.466338  0.235413  1
  Nb  Nb24  1  0.723795  0.757376  0.256676  1
  Nb  Nb25  1  0.055954  1.133005  0.235413  1
  Nb  Nb26  1  0.057128  0.424043  0.256676  1
  Nb  Nb27  1  0.390462  1.090710  0.256676  1
  Nb  Nb28  1  0.880185  0.615133  0.255858  1
  Nb  Nb29  1  0.213519  0.281800  0.255858  1
  Nb  Nb30  1  0.189720  0.562031  0.282282  1
  Nb  Nb31  1  0.546852  0.948467  0.255858  1
  Nb  Nb32  1  0.523053  0.228698  0.282282  1
  Nb  Nb33  1  0.582247  0.704473  0.236141  1
  Nb  Nb34  1  0.856387  0.895364  0.282282  1
  Nb  Nb35  1  0.915580  0.371140  0.236141  1
  Nb  Nb36  1  0.248913  1.037807  0.236141  1
  Nb  Nb37  1  -0.007160  0.498358  0.306843  1
  Nb  Nb38  1  0.326173  0.165025  0.306843  1
  Nb  Nb39  1  0.297778  0.447499  0.333627  1
  Nb  Nb40  1  0.659507  0.831692  0.306843  1
  Nb  Nb41  1  0.631111  1.114165  0.333627  1
  Nb  Nb42  1  0.602854  0.396863  0.359036  1
  Nb  Nb43  1  -0.035556  0.780832  0.333627  1
  Nb  Nb44  1  -0.063812  1.063530  0.359036  1
  Nb  Nb45  1  0.269521  0.730197  0.359036  1
  Nb  Nb46  1  0.826688  0.672319  0.308321  1
  Nb  Nb47  1  0.160021  0.338985  0.308321  1
  Nb  Nb48  1  0.131612  0.619992  0.333674  1
  Nb  Nb49  1  0.493354  1.005652  0.308321  1
  Nb  Nb50  1  0.464946  0.286659  0.333674  1
  Nb  Nb51  1  0.435406  0.568900  0.359001  1
  Nb  Nb52  1  0.798279  0.953326  0.333674  1
  Nb  Nb53  1  0.768739  0.235566  0.359001  1
  Nb  Nb54  1  0.102072  0.902233  0.359001  1
  Nb  Nb55  1  -0.063812  0.563530  0.359036  1
  Nb  Nb56  1  0.269521  0.230197  0.359036  1
  Nb  Nb57  1  0.326173  0.665025  0.306843  1
  Nb  Nb58  1  0.602854  0.896863  0.359036  1
  Nb  Nb59  1  0.659507  0.331692  0.306843  1
  Nb  Nb60  1  0.631111  0.614165  0.333627  1
  Nb  Nb61  1  -0.007160  0.998358  0.306843  1
  Nb  Nb62  1  -0.035556  0.280832  0.333627  1
  Nb  Nb63  1  0.297778  0.947499  0.333627  1
  Nb  Nb64  1  0.798279  0.453326  0.333674  1
  Nb  Nb65  1  0.131612  1.119992  0.333674  1
  Nb  Nb66  1  0.102072  0.402233  0.359001  1
  Nb  Nb67  1  0.464946  0.786659  0.333674  1
  Nb  Nb68  1  0.435406  1.068900  0.359001  1
  Nb  Nb69  1  0.493354  0.505652  0.308321  1
  Nb  Nb70  1  0.768739  0.735566  0.359001  1
  Nb  Nb71  1  0.826688  0.172319  0.308321  1
  Nb  Nb72  1  0.160021  0.838985  0.308321  1
  Nb  Nb73  1  0.907287  0.345764  0.384793  1
  Nb  Nb74  1  0.240621  1.012431  0.384793  1
  Nb  Nb75  1  0.212103  0.295437  0.410300  1
  Nb  Nb76  1  0.573954  0.679097  0.384793  1
  Nb  Nb77  1  0.545436  0.962103  0.410300  1
  Nb  Nb78  1  0.517017  0.244620  0.436013  1
  Nb  Nb79  1  0.878770  0.628770  0.410300  1
  Nb  Nb80  1  0.850351  0.911287  0.436013  1
  Nb  Nb81  1  0.183684  0.577954  0.436013  1
  Nb  Nb82  1  0.740948  0.516878  0.384779  1
  Nb  Nb83  1  0.074281  0.183545  0.384779  1
  Nb  Nb84  1  0.045398  0.464787  0.410334  1
  Nb  Nb85  1  0.407614  0.850211  0.384779  1
  Nb  Nb86  1  0.378731  1.131454  0.410334  1
  Nb  Nb87  1  0.350416  0.412255  0.436002  1
  Nb  Nb88  1  0.712065  0.798120  0.410334  1
  Nb  Nb89  1  0.683749  1.078921  0.436002  1
  Nb  Nb90  1  0.017083  0.745588  0.436002  1
  Nb  Nb91  1  0.850351  0.411287  0.436013  1
  Nb  Nb92  1  0.183684  1.077954  0.436013  1
  Nb  Nb93  1  0.240621  0.512431  0.384793  1
  Nb  Nb94  1  0.517017  0.744620  0.436013  1
  Nb  Nb95  1  0.573954  0.179097  0.384793  1
  Nb  Nb96  1  0.545436  0.462103  0.410300  1
  Nb  Nb97  1  0.907287  0.845764  0.384793  1
  Nb  Nb98  1  0.878770  1.128770  0.410300  1
  Nb  Nb99  1  0.212103  0.795437  0.410300  1
  Nb  Nb100  1  0.712065  0.298120  0.410334  1
  Nb  Nb101  1  0.045398  0.964787  0.410334  1
  Nb  Nb102  1  0.017083  0.245588  0.436002  1
  Nb  Nb103  1  0.378731  0.631454  0.410334  1
  Nb  Nb104  1  0.350416  0.912255  0.436002  1
  Nb  Nb105  1  0.407614  0.350211  0.384779  1
  Nb  Nb106  1  0.683749  0.578921  0.436002  1
  Nb  Nb107  1  0.740948  1.016878  0.384779  1
  Nb  Nb108  1  0.074281  0.683545  0.384779  1
  Nb  Nb109  1  0.821748  0.194325  0.461563  1
  Nb  Nb110  1  0.155081  0.860991  0.461563  1
  Nb  Nb111  1  0.126662  1.143508  0.487275  1
  Nb  Nb112  1  0.488415  0.527658  0.461563  1
  Nb  Nb113  1  0.459995  0.810175  0.487275  1
  Nb  Nb114  1  0.431478  1.093181  0.512783  1
  Nb  Nb115  1  0.793329  0.476842  0.487275  1
  Nb  Nb116  1  0.764811  0.759848  0.512783  1
  Nb  Nb117  1  0.098144  0.426515  0.512783  1
  Nb  Nb118  1  0.655016  0.360024  0.461574  1
  Nb  Nb119  1  -0.011651  1.026690  0.461574  1
  Nb  Nb120  1  -0.039966  0.307492  0.487241  1
  Nb  Nb121  1  0.321683  0.693357  0.461574  1
  Nb  Nb122  1  0.293367  0.974158  0.487241  1
  Nb  Nb123  1  0.264484  0.255400  0.512797  1
  Nb  Nb124  1  0.626701  0.640825  0.487241  1
  Nb  Nb125  1  0.597817  0.922067  0.512797  1
  Nb  Nb126  1  -0.068849  0.588734  0.512797  1
  Nb  Nb127  1  0.764811  0.259848  0.512783  1
  Nb  Nb128  1  0.098144  0.926515  0.512783  1
  Nb  Nb129  1  0.155081  0.360991  0.461563  1
  Nb  Nb130  1  0.431478  0.593181  0.512783  1
  Nb  Nb131  1  0.488415  1.027658  0.461563  1
  Nb  Nb132  1  0.459995  0.310175  0.487275  1
  Nb  Nb133  1  0.821748  0.694325  0.461563  1
  Nb  Nb134  1  0.793329  0.976842  0.487275  1
  Nb  Nb135  1  0.126662  0.643508  0.487275  1
  Nb  Nb136  1  0.626701  1.140825  0.487241  1
  Nb  Nb137  1  -0.039966  0.807492  0.487241  1
  Nb  Nb138  1  -0.068849  1.088734  0.512797  1
  Nb  Nb139  1  0.293367  0.474158  0.487241  1
  Nb  Nb140  1  0.264484  0.755400  0.512797  1
  Nb  Nb141  1  0.321683  0.193357  0.461574  1
  Nb  Nb142  1  0.597817  0.422067  0.512797  1
  Nb  Nb143  1  0.655016  0.860024  0.461574  1
  Nb  Nb144  1  -0.011651  0.526690  0.461574  1
  Nb  Nb145  1  0.735911  1.042082  0.538540  1
  Nb  Nb146  1  0.069244  0.708749  0.538540  1
  Nb  Nb147  1  0.040987  0.991446  0.563948  1
  Nb  Nb148  1  0.402578  0.375415  0.538540  1
  Nb  Nb149  1  0.374321  0.658113  0.563948  1
  Nb  Nb150  1  0.345925  0.940587  0.590733  1
  Nb  Nb151  1  0.707654  0.324780  0.563948  1
  Nb  Nb152  1  0.679258  0.607253  0.590733  1
  Nb  Nb153  1  0.012592  0.273920  0.590733  1
  Nb  Nb154  1  0.570026  0.203379  0.538575  1
  Nb  Nb155  1  0.903359  0.870046  0.538575  1
  Nb  Nb156  1  0.873819  0.152286  0.563902  1
  Nb  Nb157  1  0.236693  0.536712  0.538575  1
  Nb  Nb158  1  0.207153  0.818953  0.563902  1
  Nb  Nb159  1  0.178744  1.099960  0.589254  1
  Nb  Nb160  1  0.540486  0.485620  0.563902  1
  Nb  Nb161  1  0.512078  0.766627  0.589254  1
  Nb  Nb162  1  0.845411  0.433293  0.589254  1
  Nb  Nb163  1  0.679258  1.107253  0.590733  1
  Nb  Nb164  1  0.012592  0.773920  0.590733  1
  Nb  Nb165  1  0.069244  0.208749  0.538540  1
  Nb  Nb166  1  0.345925  0.440587  0.590733  1
  Nb  Nb167  1  0.402578  0.875415  0.538540  1
  Nb  Nb168  1  0.374321  0.158113  0.563948  1
  Nb  Nb169  1  0.735911  0.542082  0.538540  1
  Nb  Nb170  1  0.707654  0.824780  0.563948  1
  Nb  Nb171  1  0.040987  0.491446  0.563948  1
  Nb  Nb172  1  0.540486  0.985620  0.563902  1
  Nb  Nb173  1  0.873819  0.652286  0.563902  1
  Nb  Nb174  1  0.845411  0.933293  0.589254  1
  Nb  Nb175  1  0.207153  0.318953  0.563902  1
  Nb  Nb176  1  0.178744  0.599960  0.589254  1
  Nb  Nb177  1  0.236693  1.036712  0.538575  1
  Nb  Nb178  1  0.512078  0.266627  0.589254  1
  Nb  Nb179  1  0.570026  0.703379  0.538575  1
  Nb  Nb180  1  0.903359  0.370046  0.538575  1
  Nb  Nb181  1  0.651698  0.893920  0.614962  1
  Nb  Nb182  1  -0.014968  0.560586  0.614962  1
  Nb  Nb183  1  -0.051697  0.848236  0.640900  1
  Nb  Nb184  1  0.318365  0.227253  0.614962  1
  Nb  Nb185  1  0.281637  0.514902  0.640900  1
  Nb  Nb186  1  0.282811  0.805940  0.662162  1
  Nb  Nb187  1  0.614970  0.181569  0.640900  1
  Nb  Nb188  1  0.616144  0.472607  0.662162  1
  Nb  Nb189  1  -0.050522  1.139274  0.662162  1
  Nb  Nb190  1  0.482379  1.043581  0.615294  1
  Nb  Nb191  1  0.815712  0.710248  0.615294  1
  Nb  Nb192  1  0.791913  0.990478  0.641718  1
  Nb  Nb193  1  0.149045  0.376914  0.615294  1
  Nb  Nb194  1  0.125246  0.657145  0.641718  1
  Nb  Nb195  1  0.089852  0.901138  0.661434  1
  Nb  Nb196  1  0.458580  0.323812  0.641718  1
  Nb  Nb197  1  0.423185  0.567805  0.661434  1
  Nb  Nb198  1  0.756519  0.234472  0.661434  1
  Nb  Nb199  1  0.616144  0.972607  0.662162  1
  Nb  Nb200  1  -0.050522  0.639274  0.662162  1
  Nb  Nb201  1  -0.014968  1.060586  0.614962  1
  Nb  Nb202  1  0.282811  0.305940  0.662162  1
  Nb  Nb203  1  0.318365  0.727253  0.614962  1
  Nb  Nb204  1  0.281637  1.014902  0.640900  1
  Nb  Nb205  1  0.651698  0.393920  0.614962  1
  Nb  Nb206  1  0.614970  0.681569  0.640900  1
  Nb  Nb207  1  -0.051697  0.348236  0.640900  1
  Nb  Nb208  1  0.458580  0.823812  0.641718  1
  Nb  Nb209  1  0.791913  0.490478  0.641718  1
  Nb  Nb210  1  0.756519  0.734472  0.661434  1
  Nb  Nb211  1  0.125246  0.157145  0.641718  1
  Nb  Nb212  1  0.089852  0.401138  0.661434  1
  Nb  Nb213  1  0.149045  0.876914  0.615294  1
  Nb  Nb214  1  0.423185  1.067805  0.661434  1
  Nb  Nb215  1  0.482379  0.543581  0.615294  1
  Nb  Nb216  1  0.815712  0.210248  0.615294  1
