# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63280176
_cell_length_b   31.93685804
_cell_length_c   62.99168298
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.18442063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti270 Nb90'
_cell_volume   15314.4061806
_cell_formula_units_Z   90
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
  Ti  Ti1  1  0.500843  0.834353  0.189921  1
  Ti  Ti2  1  1.168040  0.501135  0.189574  1
  Ti  Ti3  1  0.506150  0.770683  0.239970  1
  Ti  Ti4  1  0.699977  0.774328  0.202701  1
  Ti  Ti5  1  0.834863  0.167922  0.189346  1
  Ti  Ti6  1  1.170590  0.437593  0.239946  1
  Ti  Ti7  1  0.366173  0.441447  0.202741  1
  Ti  Ti8  1  0.836515  0.103652  0.240280  1
  Ti  Ti9  1  1.033779  0.108194  0.203270  1
  Ti  Ti10  1  0.953321  0.776165  0.231143  1
  Ti  Ti11  1  0.624801  0.443078  0.230948  1
  Ti  Ti12  1  0.752851  0.768915  0.265930  1
  Ti  Ti13  1  0.292200  0.809372  0.219772  1
  Ti  Ti14  1  0.296339  0.111015  0.231969  1
  Ti  Ti15  1  0.419119  0.435384  0.265362  1
  Ti  Ti16  1  0.960948  0.476199  0.219463  1
  Ti  Ti17  1  1.083812  0.101806  0.265469  1
  Ti  Ti18  1  0.630952  0.143123  0.219490  1
  Ti  Ti19  1  0.713768  0.711611  0.227787  1
  Ti  Ti20  1  0.381592  0.379333  0.228016  1
  Ti  Ti21  1  1.041342  0.775438  0.191105  1
  Ti  Ti22  1  0.857019  0.705193  0.187806  1
  Ti  Ti23  1  1.050700  0.046519  0.228118  1
  Ti  Ti24  1  0.710117  0.442092  0.190766  1
  Ti  Ti25  1  0.524927  0.372396  0.188113  1
  Ti  Ti26  1  0.375378  0.108622  0.191527  1
  Ti  Ti27  1  1.190381  0.038975  0.188181  1
  Ti  Ti28  1  0.894338  0.610144  0.229859  1
  Ti  Ti29  1  0.562915  0.276804  0.229853  1
  Ti  Ti30  1  0.598575  0.627835  0.245626  1
  Ti  Ti31  1  1.004679  0.626675  0.191266  1
  Ti  Ti32  1  1.230075  0.943636  0.229947  1
  Ti  Ti33  1  0.265966  0.294811  0.245597  1
  Ti  Ti34  1  0.668021  0.294039  0.191191  1
  Ti  Ti35  1  0.934389  -0.039400  0.245836  1
  Ti  Ti36  1  0.335809  -0.039506  0.191355  1
  Ti  Ti37  1  0.675869  0.644805  0.204686  1
  Ti  Ti38  1  0.343500  0.311798  0.205096  1
  Ti  Ti39  1  0.356602  0.614297  0.218388  1
  Ti  Ti40  1  1.184468  0.609146  0.254421  1
  Ti  Ti41  1  1.009546  -0.021224  0.205277  1
  Ti  Ti42  1  1.023350  0.280900  0.218335  1
  Ti  Ti43  1  0.852382  0.275878  0.254368  1
  Ti  Ti44  1  0.689650  0.947665  0.218690  1
  Ti  Ti45  1  0.519402  0.942618  0.254664  1
  Ti  Ti46  1  0.930211  0.536818  0.245401  1
  Ti  Ti47  1  0.596710  0.203456  0.245250  1
  Ti  Ti48  1  0.285235  0.587710  0.180639  1
  Ti  Ti49  1  1.113017  0.561923  0.214184  1
  Ti  Ti50  1  0.265585  0.870381  0.245533  1
  Ti  Ti51  1  0.950912  0.254570  0.180572  1
  Ti  Ti52  1  0.780132  0.228795  0.213961  1
  Ti  Ti53  1  0.617544  0.921270  0.180823  1
  Ti  Ti54  1  0.446517  0.895299  0.214217  1
  Ti  Ti55  1  0.997437  0.775805  0.293234  1
  Ti  Ti56  1  0.660258  0.443196  0.292931  1
  Ti  Ti57  1  0.706221  0.770958  0.316008  1
  Ti  Ti58  1  1.196364  0.787818  0.259491  1
  Ti  Ti59  1  0.324759  0.110055  0.292724  1
  Ti  Ti60  1  0.372300  0.437562  0.316163  1
  Ti  Ti61  1  0.862338  0.454551  0.259697  1
  Ti  Ti62  1  1.039831  0.104267  0.316141  1
  Ti  Ti63  1  0.531596  0.121073  0.259899  1
  Ti  Ti64  1  1.242888  0.745358  0.316125  1
  Ti  Ti65  1  0.907252  0.411740  0.315324  1
  Ti  Ti66  1  0.974917  0.739788  0.341799  1
  Ti  Ti67  1  0.438402  0.754293  0.283918  1
  Ti  Ti68  1  0.572607  0.078258  0.315478  1
  Ti  Ti69  1  0.643098  0.406351  0.341754  1
  Ti  Ti70  1  1.107538  0.420855  0.283939  1
  Ti  Ti71  1  0.309016  0.073190  0.341988  1
  Ti  Ti72  1  0.774588  0.086529  0.284050  1
  Ti  Ti73  1  1.065886  0.675349  0.321536  1
  Ti  Ti74  1  0.732919  0.341811  0.321537  1
  Ti  Ti75  1  0.492566  0.695470  0.258280  1
  Ti  Ti76  1  0.279231  0.681053  0.289345  1
  Ti  Ti77  1  0.399852  0.008772  0.321786  1
  Ti  Ti78  1  1.159576  0.362043  0.258359  1
  Ti  Ti79  1  0.946417  0.346969  0.289292  1
  Ti  Ti80  1  0.826130  0.027069  0.258168  1
  Ti  Ti81  1  0.613188  0.013360  0.289432  1
  Ti  Ti82  1  1.145514  0.609887  0.300691  1
  Ti  Ti83  1  0.812254  0.276118  0.300630  1
  Ti  Ti84  1  0.953584  0.599684  0.333099  1
  Ti  Ti85  1  0.443123  0.612952  0.279441  1
  Ti  Ti86  1  0.479389  0.942972  0.301003  1
  Ti  Ti87  1  0.622333  0.266119  0.333072  1
  Ti  Ti88  1  1.111132  0.279201  0.279476  1
  Ti  Ti89  1  0.288836  0.933188  0.333374  1
  Ti  Ti90  1  0.778618  0.945565  0.279720  1
  Ti  Ti91  1  0.854052  0.590579  0.271774  1
  Ti  Ti92  1  0.521076  0.257274  0.271651  1
  Ti  Ti93  1  0.679413  0.579928  0.303756  1
  Ti  Ti94  1  0.408380  0.575770  0.327028  1
  Ti  Ti95  1  1.188395  0.923766  0.271910  1
  Ti  Ti96  1  0.348004  0.246668  0.303739  1
  Ti  Ti97  1  1.074362  0.242471  0.326667  1
  Ti  Ti98  1  1.015076  0.913143  0.303875  1
  Ti  Ti99  1  0.742987  0.908900  0.326945  1
  Ti  Ti100  1  0.286966  0.502522  0.338401  1
  Ti  Ti101  1  0.952392  0.169431  0.338071  1
  Ti  Ti102  1  0.702022  0.515661  0.274534  1
  Ti  Ti103  1  0.500053  0.508776  0.306276  1
  Ti  Ti104  1  0.619649  0.835823  0.338266  1
  Ti  Ti105  1  0.367639  0.182414  0.274367  1
  Ti  Ti106  1  1.165626  0.175719  0.306254  1
  Ti  Ti107  1  1.035583  0.848364  0.274492  1
  Ti  Ti108  1  0.834318  0.841737  0.306342  1
  Ti  Ti109  1  1.252323  0.752583  0.375017  1
  Ti  Ti110  1  0.918932  0.419158  0.374999  1
  Ti  Ti111  1  1.024614  0.744598  0.404457  1
  Ti  Ti112  1  0.494690  0.761354  0.347574  1
  Ti  Ti113  1  0.586331  0.085883  0.374852  1
  Ti  Ti114  1  0.691230  0.411082  0.404309  1
  Ti  Ti115  1  1.158144  0.427884  0.347355  1
  Ti  Ti116  1  0.359320  0.077738  0.404317  1
  Ti  Ti117  1  0.825818  0.094583  0.347195  1
  Ti  Ti118  1  0.528449  0.722095  0.401926  1
  Ti  Ti119  1  1.195698  0.389069  0.401830  1
  Ti  Ti120  1  0.282580  0.713518  0.429320  1
  Ti  Ti121  1  0.755166  0.730042  0.372263  1
  Ti  Ti122  1  0.861165  0.055677  0.402058  1
  Ti  Ti123  1  0.955075  0.380881  0.429258  1
  Ti  Ti124  1  0.421903  0.396880  0.371958  1
  Ti  Ti125  1  0.621865  0.047207  0.429608  1
  Ti  Ti126  1  1.087014  0.063816  0.372489  1
  Ti  Ti127  1  0.386302  0.646989  0.409567  1
  Ti  Ti128  1  1.052621  0.313652  0.409445  1
  Ti  Ti129  1  0.843325  0.664963  0.351611  1
  Ti  Ti130  1  0.613171  0.655524  0.380479  1
  Ti  Ti131  1  0.719506  -0.019811  0.409588  1
  Ti  Ti132  1  0.510476  0.331614  0.351589  1
  Ti  Ti133  1  0.280313  0.322555  0.380543  1
  Ti  Ti134  1  1.177537  -0.000991  0.351913  1
  Ti  Ti135  1  0.947677  -0.010834  0.380810  1
  Ti  Ti136  1  0.490992  0.580482  0.391009  1
  Ti  Ti137  1  1.158532  0.247279  0.390924  1
  Ti  Ti138  1  1.233986  0.573347  0.417245  1
  Ti  Ti139  1  0.693096  0.590655  0.358400  1
  Ti  Ti140  1  0.826597  0.913852  0.390940  1
  Ti  Ti141  1  0.900615  0.239964  0.417086  1
  Ti  Ti142  1  0.360006  0.257444  0.358299  1
  Ti  Ti143  1  0.572471  0.906142  0.417165  1
  Ti  Ti144  1  1.028647  0.924199  0.358563  1
  Ti  Ti145  1  1.206763  0.568693  0.359977  1
  Ti  Ti146  1  0.877926  0.235092  0.359680  1
  Ti  Ti147  1  0.952087  0.560818  0.385980  1
  Ti  Ti148  1  0.750471  0.550775  0.418524  1
  Ti  Ti149  1  0.545512  0.901618  0.359851  1
  Ti  Ti150  1  0.620394  0.227701  0.385827  1
  Ti  Ti151  1  0.418711  0.217462  0.418416  1
  Ti  Ti152  1  0.288206  0.894210  0.386308  1
  Ti  Ti153  1  1.082865  0.883617  0.419052  1
  Ti  Ti154  1  0.601271  0.476095  0.425217  1
  Ti  Ti155  1  0.268659  0.142700  0.425038  1
  Ti  Ti156  1  1.059769  0.494661  0.367520  1
  Ti  Ti157  1  0.831252  0.485541  0.396263  1
  Ti  Ti158  1  0.936880  0.809320  0.425523  1
  Ti  Ti159  1  0.726703  0.161379  0.367301  1
  Ti  Ti160  1  0.498763  0.152427  0.396110  1
  Ti  Ti161  1  0.393459  0.828062  0.367520  1
  Ti  Ti162  1  1.167161  0.819176  0.396601  1
  Ti  Ti163  1  0.532290  0.729544  0.460540  1
  Ti  Ti164  1  1.202547  0.396379  0.461036  1
  Ti  Ti165  1  0.338569  0.719814  0.492898  1
  Ti  Ti166  1  0.805399  0.734998  0.435199  1
  Ti  Ti167  1  0.874438  0.063030  0.461148  1
  Ti  Ti168  1  1.004323  0.387693  0.493222  1
  Ti  Ti169  1  0.471039  0.401730  0.435076  1
  Ti  Ti170  1  0.673927  0.054816  0.492739  1
  Ti  Ti171  1  1.138228  0.068264  0.434879  1
  Ti  Ti172  1  0.777212  0.699995  0.483286  1
  Ti  Ti173  1  0.450825  0.364839  0.483759  1
  Ti  Ti174  1  0.581752  0.687209  0.517590  1
  Ti  Ti175  1  1.072215  0.704358  0.461059  1
  Ti  Ti176  1  1.121529  0.031434  0.484232  1
  Ti  Ti177  1  1.250239  0.353865  0.517462  1
  Ti  Ti178  1  0.740822  0.370542  0.460755  1
  Ti  Ti179  1  0.914692  0.020621  0.517220  1
  Ti  Ti180  1  0.407499  0.037271  0.460763  1
  Ti  Ti181  1  0.744975  0.627541  0.502701  1
  Ti  Ti182  1  0.411215  0.292664  0.502585  1
  Ti  Ti183  1  1.160805  0.639205  0.439033  1
  Ti  Ti184  1  0.945438  0.633865  0.470975  1
  Ti  Ti185  1  1.078867  -0.040545  0.502697  1
  Ti  Ti186  1  0.827300  0.305841  0.438739  1
  Ti  Ti187  1  0.612635  0.299247  0.470546  1
  Ti  Ti188  1  0.493725  -0.027800  0.438809  1
  Ti  Ti189  1  0.281093  -0.033975  0.470687  1
  Ti  Ti190  1  0.765662  0.561843  0.473444  1
  Ti  Ti191  1  0.430935  0.228231  0.473010  1
  Ti  Ti192  1  0.593613  0.551299  0.505324  1
  Ti  Ti193  1  1.037827  0.566413  0.450439  1
  Ti  Ti194  1  1.101300  0.895060  0.473486  1
  Ti  Ti195  1  0.259291  0.217721  0.505115  1
  Ti  Ti196  1  0.705204  0.232642  0.450127  1
  Ti  Ti197  1  0.926719  0.884258  0.505451  1
  Ti  Ti198  1  0.372930  0.899252  0.450124  1
  Ti  Ti199  1  0.490071  0.541649  0.443843  1
  Ti  Ti200  1  1.157127  0.208460  0.443566  1
  Ti  Ti201  1  0.301266  0.531381  0.476270  1
  Ti  Ti202  1  1.003057  0.528533  0.497559  1
  Ti  Ti203  1  0.821089  0.874571  0.444359  1
  Ti  Ti204  1  0.968081  0.198623  0.475989  1
  Ti  Ti205  1  0.668600  0.195659  0.497239  1
  Ti  Ti206  1  0.632369  0.864836  0.476827  1
  Ti  Ti207  1  0.338442  0.861537  0.498085  1
  Ti  Ti208  1  0.954157  0.447413  0.518924  1
  Ti  Ti209  1  0.620924  0.113469  0.518518  1
  Ti  Ti210  1  0.378706  0.465710  0.455303  1
  Ti  Ti211  1  1.166759  0.460418  0.487588  1
  Ti  Ti212  1  0.283444  0.777460  0.518690  1
  Ti  Ti213  1  1.046175  0.132711  0.455100  1
  Ti  Ti214  1  0.833332  0.128050  0.487311  1
  Ti  Ti215  1  0.715093  0.798827  0.455797  1
  Ti  Ti216  1  0.500549  0.792878  0.487853  1
  Ti  Ti217  1  0.826245  0.698590  0.545801  1
  Ti  Ti218  1  0.490939  0.365102  0.545960  1
  Ti  Ti219  1  0.484820  0.665916  0.557103  1
  Ti  Ti220  1  1.019853  0.704300  0.510155  1
  Ti  Ti221  1  1.150667  0.030667  0.544970  1
  Ti  Ti222  1  1.151198  0.332366  0.557180  1
  Ti  Ti223  1  0.688907  0.371562  0.510992  1
  Ti  Ti224  1  0.816042  -0.001380  0.557570  1
  Ti  Ti225  1  0.363879  0.040042  0.511429  1
  Ti  Ti226  1  0.278085  0.640444  0.587158  1
  Ti  Ti227  1  0.946384  0.307074  0.587247  1
  Ti  Ti228  1  1.080476  0.700466  0.574459  1
  Ti  Ti229  1  0.268269  0.704035  0.536724  1
  Ti  Ti230  1  0.610320  -0.026309  0.587626  1
  Ti  Ti231  1  0.748186  0.366954  0.574377  1
  Ti  Ti232  1  0.938740  0.371031  0.536576  1
  Ti  Ti233  1  0.412015  0.033413  0.573730  1
  Ti  Ti234  1  0.609735  0.037914  0.536884  1
  Ti  Ti235  1  1.160067  0.553654  0.596212  1
  Ti  Ti236  1  0.829591  0.220144  0.596091  1
  Ti  Ti237  1  0.515489  0.604553  0.531636  1
  Ti  Ti238  1  0.333400  0.579511  0.562834  1
  Ti  Ti239  1  0.493738  0.886941  0.596404  1
  Ti  Ti240  1  1.181723  0.271400  0.531530  1
  Ti  Ti241  1  1.000563  0.246157  0.562858  1
  Ti  Ti242  1  0.850209  0.938132  0.531782  1
  Ti  Ti243  1  0.667031  0.912938  0.562963  1
  Ti  Ti244  1  1.089429  0.527129  0.558442  1
  Ti  Ti245  1  0.757176  0.194156  0.558289  1
  Ti  Ti246  1  0.770472  0.496277  0.572225  1
  Ti  Ti247  1  0.262915  0.532372  0.522665  1
  Ti  Ti248  1  0.423182  0.860633  0.558777  1
  Ti  Ti249  1  0.438025  0.163162  0.571632  1
  Ti  Ti250  1  0.928248  0.198992  0.522351  1
  Ti  Ti251  1  1.103709  0.829940  0.572415  1
  Ti  Ti252  1  0.597785  0.866238  0.523009  1
  Ti  Ti253  1  0.846109  0.514095  0.531353  1
  Ti  Ti254  1  0.513362  0.180378  0.531160  1
  Ti  Ti255  1  0.551387  0.531079  0.547364  1
  Ti  Ti256  1  0.442928  0.514955  0.585965  1
  Ti  Ti257  1  1.182347  0.846126  0.531577  1
  Ti  Ti258  1  1.217271  0.198090  0.546948  1
  Ti  Ti259  1  1.113922  0.180749  0.585627  1
  Ti  Ti260  1  0.886474  0.864450  0.547218  1
  Ti  Ti261  1  0.775281  0.848086  0.585783  1
  Ti  Ti262  1  0.404752  0.366084  0.586035  1
  Ti  Ti263  1  1.070949  0.033220  0.585444  1
  Ti  Ti264  1  0.732346  0.429010  0.549057  1
  Ti  Ti265  1  0.589935  0.435988  0.589017  1
  Ti  Ti266  1  0.738165  0.699629  0.585797  1
  Ti  Ti267  1  0.395947  0.095267  0.548774  1
  Ti  Ti268  1  0.256086  0.102634  0.588787  1
  Ti  Ti269  1  1.063680  0.763029  0.549421  1
  Ti  Ti270  1  0.922005  0.769458  0.589210  1
  Nb  Nb271  1  0.591034  0.533777  0.216356  1
  Nb  Nb272  1  0.258945  0.200612  0.216049  1
  Nb  Nb273  1  0.418655  0.524580  0.244895  1
  Nb  Nb274  1  0.711401  0.544699  0.185262  1
  Nb  Nb275  1  0.925004  0.867726  0.216602  1
  Nb  Nb276  1  1.086647  0.191588  0.244609  1
  Nb  Nb277  1  0.379139  0.211501  0.185017  1
  Nb  Nb278  1  0.751502  0.857557  0.244959  1
  Nb  Nb279  1  1.044242  0.878234  0.185457  1
  Nb  Nb280  1  0.339862  0.707130  0.195374  1
  Nb  Nb281  1  1.009957  0.373051  0.195669  1
  Nb  Nb282  1  1.201875  0.696415  0.225618  1
  Nb  Nb283  1  1.021622  0.691677  0.254712  1
  Nb  Nb284  1  0.674432  0.039980  0.195824  1
  Nb  Nb285  1  0.869361  0.363442  0.225877  1
  Nb  Nb286  1  0.688214  0.358189  0.254846  1
  Nb  Nb287  1  0.535082  0.030040  0.226108  1
  Nb  Nb288  1  0.353760  0.024787  0.255070  1
  Nb  Nb289  1  1.058162  0.513571  0.301418  1
  Nb  Nb290  1  0.722573  0.179063  0.300762  1
  Nb  Nb291  1  0.857203  0.504286  0.328152  1
  Nb  Nb292  1  1.237874  0.521748  0.272985  1
  Nb  Nb293  1  0.389646  0.846202  0.301338  1
  Nb  Nb294  1  0.523544  0.171464  0.327974  1
  Nb  Nb295  1  0.906217  0.188597  0.272738  1
  Nb  Nb296  1  1.188814  0.838392  0.328401  1
  Nb  Nb297  1  0.574507  0.855766  0.273404  1
  Nb  Nb298  1  0.839354  0.684878  0.284203  1
  Nb  Nb299  1  0.505894  0.351586  0.284305  1
  Nb  Nb300  1  0.639885  0.676386  0.311837  1
  Nb  Nb301  1  0.433698  0.667983  0.339360  1
  Nb  Nb302  1  1.172212  0.018126  0.284549  1
  Nb  Nb303  1  0.306139  0.342986  0.311892  1
  Nb  Nb304  1  1.099837  0.334561  0.339518  1
  Nb  Nb305  1  0.972745  0.009552  0.312088  1
  Nb  Nb306  1  0.768147  0.000735  0.339753  1
  Nb  Nb307  1  0.435937  0.488654  0.382679  1
  Nb  Nb308  1  1.103824  0.155478  0.382474  1
  Nb  Nb309  1  1.221493  0.481098  0.410002  1
  Nb  Nb310  1  0.647499  0.496592  0.355394  1
  Nb  Nb311  1  0.770907  0.821941  0.382810  1
  Nb  Nb312  1  0.889746  0.147847  0.409748  1
  Nb  Nb313  1  0.315152  0.163285  0.355205  1
  Nb  Nb314  1  0.556420  0.814062  0.409985  1
  Nb  Nb315  1  0.981694  0.829909  0.355613  1
  Nb  Nb316  1  1.224185  0.660468  0.366963  1
  Nb  Nb317  1  0.889890  0.327019  0.366995  1
  Nb  Nb318  1  1.009915  0.652701  0.394160  1
  Nb  Nb319  1  0.799691  0.644930  0.421397  1
  Nb  Nb320  1  0.557159  -0.006148  0.367178  1
  Nb  Nb321  1  0.675816  0.319409  0.394263  1
  Nb  Nb322  1  0.464617  0.311757  0.421516  1
  Nb  Nb323  1  0.342614  -0.014111  0.394509  1
  Nb  Nb324  1  1.131018  -0.022087  0.421781  1
  Nb  Nb325  1  0.805405  0.465056  0.465141  1
  Nb  Nb326  1  0.473093  0.131862  0.464874  1
  Nb  Nb327  1  0.607104  0.456406  0.492773  1
  Nb  Nb328  1  1.009435  0.474976  0.437498  1
  Nb  Nb329  1  1.142675  0.799046  0.465167  1
  Nb  Nb330  1  0.273144  0.123409  0.492441  1
  Nb  Nb331  1  0.677796  0.141019  0.437179  1
  Nb  Nb332  1  0.942540  0.790103  0.492934  1
  Nb  Nb333  1  0.347276  0.806852  0.437668  1
  Nb  Nb334  1  0.592370  0.636574  0.448590  1
  Nb  Nb335  1  0.255632  0.303027  0.448654  1
  Nb  Nb336  1  0.392073  0.628658  0.475702  1
  Nb  Nb337  1  1.206332  0.618449  0.503524  1
  Nb  Nb338  1  0.921397  -0.030219  0.448837  1
  Nb  Nb339  1  1.057203  0.295877  0.475901  1
  Nb  Nb340  1  0.872567  0.285412  0.503736  1
  Nb  Nb341  1  0.724969  -0.037973  0.476223  1
  Nb  Nb342  1  0.541073  0.953902  0.504201  1
  Nb  Nb343  1  1.244930  0.444998  0.551340  1
  Nb  Nb344  1  0.911363  0.111711  0.551123  1
  Nb  Nb345  1  1.106769  0.434590  0.581589  1
  Nb  Nb346  1  0.424933  0.449832  0.522211  1
  Nb  Nb347  1  0.576799  0.778569  0.551234  1
  Nb  Nb348  1  0.769558  0.101956  0.581212  1
  Nb  Nb349  1  1.091491  0.116728  0.521981  1
  Nb  Nb350  1  0.440316  0.767788  0.581493  1
  Nb  Nb351  1  0.757301  0.782791  0.522280  1
  Nb  Nb352  1  1.030246  0.617418  0.532055  1
  Nb  Nb353  1  0.695121  0.283504  0.532171  1
  Nb  Nb354  1  0.855232  0.607075  0.560307  1
  Nb  Nb355  1  0.735089  0.597891  0.591471  1
  Nb  Nb356  1  0.360884  0.950087  0.532297  1
  Nb  Nb357  1  0.521424  0.274574  0.560558  1
  Nb  Nb358  1  0.401589  0.263349  0.591598  1
  Nb  Nb359  1  1.188450  0.940756  0.560774  1
  Nb  Nb360  1  1.066494  0.930626  0.591800  1
