# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.53433097
_cell_length_b   30.25940145
_cell_length_c   49.21333371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.01831348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti324 Nb108'
_cell_volume   21087.7393783
_cell_formula_units_Z   108
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  0.863574  0.780981  0.319517  1
  Ti  Ti2  1  0.776525  0.772877  0.366163  1
  Ti  Ti3  1  0.519335  0.444118  0.318333  1
  Ti  Ti4  1  0.336758  0.778717  0.308102  1
  Ti  Ti5  1  0.435003  0.425454  0.364973  1
  Ti  Ti6  1  0.189376  0.115026  0.319848  1
  Ti  Ti7  1  0.014896  0.452197  0.304460  1
  Ti  Ti8  1  0.100489  0.099616  0.364802  1
  Ti  Ti9  1  0.679224  0.118585  0.303966  1
  Ti  Ti10  1  0.041535  0.769282  0.331181  1
  Ti  Ti11  1  0.919409  0.742920  0.368098  1
  Ti  Ti12  1  0.701971  0.439191  0.316847  1
  Ti  Ti13  1  0.359249  0.739204  0.350454  1
  Ti  Ti14  1  0.608439  0.420929  0.361128  1
  Ti  Ti15  1  0.371788  0.110187  0.323691  1
  Ti  Ti16  1  0.992216  0.408233  0.347657  1
  Ti  Ti17  1  0.268153  0.088530  0.364770  1
  Ti  Ti18  1  0.664097  0.078308  0.347200  1
  Ti  Ti19  1  0.899012  0.696869  0.320834  1
  Ti  Ti20  1  0.407922  0.709275  0.304195  1
  Ti  Ti21  1  0.549387  0.358155  0.319998  1
  Ti  Ti22  1  0.337366  0.657064  0.342935  1
  Ti  Ti23  1  0.062652  0.372537  0.307294  1
  Ti  Ti24  1  0.220387  0.029340  0.321874  1
  Ti  Ti25  1  0.985515  0.324959  0.348832  1
  Ti  Ti26  1  0.733315  0.040587  0.306476  1
  Ti  Ti27  1  0.657059  0.995778  0.347437  1
  Ti  Ti28  1  0.312807  0.581684  0.365974  1
  Ti  Ti29  1  0.925186  0.614290  0.336683  1
  Ti  Ti30  1  0.969778  0.249961  0.372627  1
  Ti  Ti31  1  0.435026  0.594020  0.323700  1
  Ti  Ti32  1  0.580133  0.280137  0.332923  1
  Ti  Ti33  1  0.634877  0.920021  0.369655  1
  Ti  Ti34  1  0.089529  0.261994  0.328980  1
  Ti  Ti35  1  0.248013  0.947908  0.337086  1
  Ti  Ti36  1  0.757415  0.930379  0.327058  1
  Ti  Ti37  1  0.143484  0.593948  0.362489  1
  Ti  Ti38  1  0.623346  0.609593  0.336648  1
  Ti  Ti39  1  0.804334  0.263439  0.359758  1
  Ti  Ti40  1  0.235494  0.588123  0.316080  1
  Ti  Ti41  1  0.273901  0.280480  0.339516  1
  Ti  Ti42  1  0.457593  0.930001  0.360064  1
  Ti  Ti43  1  0.904806  0.261050  0.316706  1
  Ti  Ti44  1  0.943738  0.944364  0.336742  1
  Ti  Ti45  1  0.571781  0.932455  0.316539  1
  Ti  Ti46  1  0.040221  0.553953  0.322450  1
  Ti  Ti47  1  0.542659  0.536554  0.303762  1
  Ti  Ti48  1  0.702549  0.224614  0.320299  1
  Ti  Ti49  1  0.464280  0.507477  0.346291  1
  Ti  Ti50  1  0.197454  0.205569  0.303436  1
  Ti  Ti51  1  0.368803  0.895189  0.319249  1
  Ti  Ti52  1  0.134270  0.181481  0.347437  1
  Ti  Ti53  1  0.857325  0.868166  0.301043  1
  Ti  Ti54  1  0.800665  0.849704  0.344616  1
  Ti  Ti55  1  0.161989  0.786597  0.376618  1
  Ti  Ti56  1  0.055949  0.775733  0.424093  1
  Ti  Ti57  1  0.836893  0.450114  0.380172  1
  Ti  Ti58  1  0.636152  0.767094  0.402109  1
  Ti  Ti59  1  0.721696  0.443350  0.425438  1
  Ti  Ti60  1  0.499963  0.124757  0.378438  1
  Ti  Ti61  1  0.319705  0.426077  0.404117  1
  Ti  Ti62  1  0.395220  0.116133  0.425969  1
  Ti  Ti63  1  0.975278  0.083950  0.407634  1
  Ti  Ti64  1  0.319005  0.719040  0.394596  1
  Ti  Ti65  1  0.229279  0.761123  0.426661  1
  Ti  Ti66  1  0.965822  0.393877  0.394802  1
  Ti  Ti67  1  0.768533  0.718724  0.406534  1
  Ti  Ti68  1  0.899086  0.428230  0.432632  1
  Ti  Ti69  1  0.652758  0.060403  0.392836  1
  Ti  Ti70  1  0.508747  0.406288  0.407483  1
  Ti  Ti71  1  0.568776  0.090297  0.427422  1
  Ti  Ti72  1  0.140899  0.062021  0.405142  1
  Ti  Ti73  1  0.249362  0.632791  0.400720  1
  Ti  Ti74  1  0.796258  0.659950  0.356044  1
  Ti  Ti75  1  0.881778  0.313371  0.395624  1
  Ti  Ti76  1  0.705226  0.632975  0.442014  1
  Ti  Ti77  1  0.438347  0.338250  0.357555  1
  Ti  Ti78  1  0.548780  0.978624  0.393939  1
  Ti  Ti79  1  0.362597  0.357852  0.422134  1
  Ti  Ti80  1  0.113989  0.001250  0.358445  1
  Ti  Ti81  1  0.013646  0.010671  0.430887  1
  Ti  Ti82  1  0.558888  0.589785  0.450823  1
  Ti  Ti83  1  0.098466  0.579412  0.417868  1
  Ti  Ti84  1  0.311323  0.274124  0.447425  1
  Ti  Ti85  1  0.675868  0.628604  0.391594  1
  Ti  Ti86  1  0.773124  0.253919  0.416687  1
  Ti  Ti87  1  0.962654  0.930645  0.447725  1
  Ti  Ti88  1  0.309326  0.292790  0.393488  1
  Ti  Ti89  1  0.436116  0.919591  0.416323  1
  Ti  Ti90  1  0.990900  0.955613  0.393065  1
  Ti  Ti91  1  0.287134  0.553075  0.418860  1
  Ti  Ti92  1  0.959516  0.565561  0.373849  1
  Ti  Ti93  1  0.967682  0.217356  0.421744  1
  Ti  Ti94  1  0.493285  0.576352  0.371457  1
  Ti  Ti95  1  0.622479  0.230809  0.370542  1
  Ti  Ti96  1  0.616357  0.882641  0.420688  1
  Ti  Ti97  1  0.144636  0.244557  0.379173  1
  Ti  Ti98  1  0.280774  0.898362  0.374225  1
  Ti  Ti99  1  0.819879  0.911680  0.376610  1
  Ti  Ti100  1  0.356942  0.506937  0.388005  1
  Ti  Ti101  1  0.904938  0.480221  0.336124  1
  Ti  Ti102  1  0.018312  0.166543  0.388941  1
  Ti  Ti103  1  0.862480  0.514060  0.417295  1
  Ti  Ti104  1  0.572437  0.150722  0.335111  1
  Ti  Ti105  1  0.692070  0.842608  0.385379  1
  Ti  Ti106  1  0.538139  0.180615  0.419817  1
  Ti  Ti107  1  0.246453  0.820693  0.336369  1
  Ti  Ti108  1  0.194559  0.844023  0.418426  1
  Ti  Ti109  1  0.364017  0.724795  0.447690  1
  Ti  Ti110  1  0.296007  0.744303  0.499190  1
  Ti  Ti111  1  0.056566  0.411493  0.453097  1
  Ti  Ti112  1  0.815949  0.712282  0.458766  1
  Ti  Ti113  1  0.949033  0.404146  0.494447  1
  Ti  Ti114  1  0.732694  0.073157  0.449867  1
  Ti  Ti115  1  0.458005  0.364091  0.465528  1
  Ti  Ti116  1  0.626967  0.078011  0.493147  1
  Ti  Ti117  1  0.144244  0.037834  0.463030  1
  Ti  Ti118  1  0.629460  0.702504  0.444358  1
  Ti  Ti119  1  0.453570  0.673461  0.471183  1
  Ti  Ti120  1  0.255492  0.361598  0.458507  1
  Ti  Ti121  1  0.979235  0.698045  0.479084  1
  Ti  Ti122  1  0.108306  0.352025  0.492925  1
  Ti  Ti123  1  0.890581  0.030225  0.455416  1
  Ti  Ti124  1  0.646053  0.359153  0.477808  1
  Ti  Ti125  1  0.753909  0.015879  0.494430  1
  Ti  Ti126  1  0.312878  0.024213  0.480230  1
  Ti  Ti127  1  0.388938  0.592930  0.459250  1
  Ti  Ti128  1  0.134016  0.743882  0.467153  1
  Ti  Ti129  1  0.138634  0.253435  0.456390  1
  Ti  Ti130  1  0.845794  0.620207  0.470672  1
  Ti  Ti131  1  0.779636  0.370130  0.447663  1
  Ti  Ti132  1  0.797880  0.935470  0.464927  1
  Ti  Ti133  1  0.499448  0.282902  0.465525  1
  Ti  Ti134  1  0.457112  0.064299  0.461560  1
  Ti  Ti135  1  0.170106  0.951838  0.465915  1
  Ti  Ti136  1  0.714090  0.571356  0.505093  1
  Ti  Ti137  1  0.329457  0.566916  0.499889  1
  Ti  Ti138  1  0.389342  0.240146  0.504864  1
  Ti  Ti139  1  0.952181  0.568567  0.446343  1
  Ti  Ti140  1  0.013315  0.227330  0.490520  1
  Ti  Ti141  1  0.052911  0.912577  0.499883  1
  Ti  Ti142  1  0.636515  0.243265  0.443310  1
  Ti  Ti143  1  0.671365  0.891770  0.489592  1
  Ti  Ti144  1  0.299786  0.901872  0.442858  1
  Ti  Ti145  1  0.594626  0.519083  0.482570  1
  Ti  Ti146  1  0.188951  0.542141  0.459792  1
  Ti  Ti147  1  0.257441  0.192048  0.481708  1
  Ti  Ti148  1  0.740203  0.547938  0.450764  1
  Ti  Ti149  1  0.847247  0.200305  0.457260  1
  Ti  Ti150  1  0.925925  0.857606  0.482720  1
  Ti  Ti151  1  0.408105  0.203513  0.452368  1
  Ti  Ti152  1  0.505905  0.868173  0.458518  1
  Ti  Ti153  1  0.079229  0.873031  0.449611  1
  Ti  Ti154  1  0.595139  0.431407  0.457535  1
  Ti  Ti155  1  0.181109  0.443957  0.423975  1
  Ti  Ti156  1  0.278775  0.103543  0.460390  1
  Ti  Ti157  1  0.029831  0.495229  0.453690  1
  Ti  Ti158  1  0.847386  0.115096  0.421471  1
  Ti  Ti159  1  0.957690  0.777839  0.460537  1
  Ti  Ti160  1  0.684881  0.153067  0.455375  1
  Ti  Ti161  1  0.495146  0.771591  0.423180  1
  Ti  Ti162  1  0.352734  0.813022  0.458379  1
  Ti  Ti163  1  0.691980  0.731184  0.539833  1
  Ti  Ti164  1  0.515645  0.706748  0.562019  1
  Ti  Ti165  1  0.336317  0.396497  0.532686  1
  Ti  Ti166  1  0.146258  0.711463  0.530638  1
  Ti  Ti167  1  0.183504  0.370456  0.560109  1
  Ti  Ti168  1  0.009577  0.067915  0.541771  1
  Ti  Ti169  1  0.817648  0.373229  0.530813  1
  Ti  Ti170  1  0.846502  0.033944  0.564353  1
  Ti  Ti171  1  0.487968  0.042274  0.527896  1
  Ti  Ti172  1  0.833383  0.672400  0.510104  1
  Ti  Ti173  1  0.774765  0.667063  0.558503  1
  Ti  Ti174  1  0.515124  0.329040  0.513713  1
  Ti  Ti175  1  0.319859  0.703268  0.550216  1
  Ti  Ti176  1  0.434333  0.336578  0.557280  1
  Ti  Ti177  1  0.181295  0.995231  0.514013  1
  Ti  Ti178  1  0.002038  0.367635  0.541325  1
  Ti  Ti179  1  0.105656  0.006884  0.559418  1
  Ti  Ti180  1  0.667001  0.031630  0.540520  1
  Ti  Ti181  1  0.777980  0.579767  0.552363  1
  Ti  Ti182  1  0.335607  0.657288  0.512099  1
  Ti  Ti183  1  0.461302  0.252088  0.552449  1
  Ti  Ti184  1  0.187958  0.632912  0.551236  1
  Ti  Ti185  1  0.985185  0.297544  0.515105  1
  Ti  Ti186  1  0.118824  0.919539  0.549603  1
  Ti  Ti187  1  0.856726  0.300526  0.552046  1
  Ti  Ti188  1  0.638527  0.955329  0.515595  1
  Ti  Ti189  1  0.522096  0.970494  0.552956  1
  Ti  Ti190  1  0.076058  0.522486  0.563222  1
  Ti  Ti191  1  0.615016  0.538033  0.556760  1
  Ti  Ti192  1  0.747513  0.188625  0.561139  1
  Ti  Ti193  1  0.209930  0.552596  0.531838  1
  Ti  Ti194  1  0.300071  0.206488  0.557171  1
  Ti  Ti195  1  0.414953  0.859901  0.560839  1
  Ti  Ti196  1  0.892368  0.214729  0.530070  1
  Ti  Ti197  1  0.958996  0.872896  0.557206  1
  Ti  Ti198  1  0.562694  0.873746  0.529916  1
  Ti  Ti199  1  0.826800  0.501493  0.568483  1
  Ti  Ti200  1  0.477830  0.513889  0.516001  1
  Ti  Ti201  1  0.485285  0.168426  0.571008  1
  Ti  Ti202  1  0.074261  0.504853  0.503705  1
  Ti  Ti203  1  0.147012  0.172831  0.518594  1
  Ti  Ti204  1  0.144299  0.837190  0.573289  1
  Ti  Ti205  1  0.760172  0.168681  0.505168  1
  Ti  Ti206  1  0.810026  0.847348  0.515620  1
  Ti  Ti207  1  0.426016  0.834994  0.507468  1
  Ti  Ti208  1  0.960391  0.456566  0.539721  1
  Ti  Ti209  1  0.464354  0.421396  0.499956  1
  Ti  Ti210  1  0.628651  0.120814  0.539706  1
  Ti  Ti211  1  0.367826  0.489598  0.548906  1
  Ti  Ti212  1  0.123325  0.078664  0.503157  1
  Ti  Ti213  1  0.288782  0.793800  0.542561  1
  Ti  Ti214  1  0.025432  0.155572  0.549786  1
  Ti  Ti215  1  0.798460  0.757080  0.498752  1
  Ti  Ti216  1  0.695290  0.816990  0.546689  1
  Ti  Ti217  1  0.895006  0.643198  0.590718  1
  Ti  Ti218  1  0.809176  0.680871  0.634772  1
  Ti  Ti219  1  0.557147  0.311821  0.589290  1
  Ti  Ti220  1  0.398541  0.700951  0.599629  1
  Ti  Ti221  1  0.473334  0.347599  0.632027  1
  Ti  Ti222  1  0.222350  0.976663  0.589480  1
  Ti  Ti223  1  0.058121  0.360057  0.597096  1
  Ti  Ti224  1  0.143660  0.013709  0.634682  1
  Ti  Ti225  1  0.715680  0.028449  0.596449  1
  Ti  Ti226  1  0.063184  0.637861  0.580618  1
  Ti  Ti227  1  0.951438  0.609918  0.635158  1
  Ti  Ti228  1  0.725014  0.301525  0.581412  1
  Ti  Ti229  1  0.510337  0.632427  0.617858  1
  Ti  Ti230  1  0.620939  0.277132  0.632356  1
  Ti  Ti231  1  0.390869  0.967698  0.582761  1
  Ti  Ti232  1  0.181739  0.299757  0.615596  1
  Ti  Ti233  1  0.285105  0.942151  0.632269  1
  Ti  Ti234  1  0.835945  0.964633  0.617427  1
  Ti  Ti235  1  0.959433  0.564211  0.581494  1
  Ti  Ti236  1  0.634008  0.635257  0.588376  1
  Ti  Ti237  1  0.621942  0.226553  0.578575  1
  Ti  Ti238  1  0.431615  0.544446  0.631061  1
  Ti  Ti239  1  0.313760  0.304596  0.590313  1
  Ti  Ti240  1  0.280599  0.894188  0.576269  1
  Ti  Ti241  1  0.102732  0.208052  0.626556  1
  Ti  Ti242  1  0.970789  0.973417  0.592031  1
  Ti  Ti243  1  0.770937  0.871600  0.625654  1
  Ti  Ti244  1  0.278400  0.501345  0.632000  1
  Ti  Ti245  1  0.901561  0.512853  0.624976  1
  Ti  Ti246  1  0.947941  0.168719  0.634240  1
  Ti  Ti247  1  0.496972  0.518643  0.592535  1
  Ti  Ti248  1  0.571541  0.179151  0.625186  1
  Ti  Ti249  1  0.615547  0.836724  0.636328  1
  Ti  Ti250  1  0.171565  0.175791  0.588474  1
  Ti  Ti251  1  0.242142  0.847427  0.624133  1
  Ti  Ti252  1  0.831014  0.836376  0.588104  1
  Ti  Ti253  1  0.085950  0.468367  0.617109  1
  Ti  Ti254  1  0.681773  0.476071  0.597274  1
  Ti  Ti255  1  0.752282  0.128693  0.614654  1
  Ti  Ti256  1  0.239566  0.494872  0.577790  1
  Ti  Ti257  1  0.337358  0.139236  0.597275  1
  Ti  Ti258  1  0.425580  0.794444  0.614853  1
  Ti  Ti259  1  0.903104  0.156785  0.581889  1
  Ti  Ti260  1  0.996854  0.805651  0.597823  1
  Ti  Ti261  1  0.582744  0.819060  0.582220  1
  Ti  Ti262  1  0.112783  0.437093  0.570072  1
  Ti  Ti263  1  0.656129  0.351090  0.552333  1
  Ti  Ti264  1  0.786688  0.104117  0.561806  1
  Ti  Ti265  1  0.597277  0.395090  0.599266  1
  Ti  Ti266  1  0.324936  0.016759  0.551758  1
  Ti  Ti267  1  0.452592  0.778375  0.561269  1
  Ti  Ti268  1  0.250648  0.060663  0.594081  1
  Ti  Ti269  1  0.975258  0.681072  0.548290  1
  Ti  Ti270  1  0.911417  0.727630  0.592235  1
  Ti  Ti271  1  0.306078  0.675746  0.641808  1
  Ti  Ti272  1  0.050130  0.617651  0.684410  1
  Ti  Ti273  1  0.975258  0.341709  0.640851  1
  Ti  Ti274  1  0.644711  0.655722  0.657437  1
  Ti  Ti275  1  0.722068  0.282301  0.683248  1
  Ti  Ti276  1  0.634998  0.005358  0.640316  1
  Ti  Ti277  1  0.313268  0.322961  0.655434  1
  Ti  Ti278  1  0.394868  0.945165  0.681568  1
  Ti  Ti279  1  0.979126  0.988797  0.655248  1
  Ti  Ti280  1  0.419704  0.619872  0.657655  1
  Ti  Ti281  1  0.275533  0.619906  0.687790  1
  Ti  Ti282  1  0.085179  0.283700  0.654094  1
  Ti  Ti283  1  0.826177  0.642581  0.680702  1
  Ti  Ti284  1  0.943576  0.283659  0.684837  1
  Ti  Ti285  1  0.740496  0.944328  0.655346  1
  Ti  Ti286  1  0.483711  0.310681  0.680884  1
  Ti  Ti287  1  0.593125  0.946577  0.684671  1
  Ti  Ti288  1  0.146274  0.976202  0.682389  1
  Ti  Ti289  1  0.323727  0.539870  0.678156  1
  Ti  Ti290  1  0.875996  0.565080  0.677638  1
  Ti  Ti291  1  0.995041  0.203544  0.677090  1
  Ti  Ti292  1  0.752186  0.494452  0.699111  1
  Ti  Ti293  1  0.544408  0.236763  0.677510  1
  Ti  Ti294  1  0.653497  0.867552  0.680049  1
  Ti  Ti295  1  0.418800  0.164941  0.698732  1
  Ti  Ti296  1  0.209937  0.903073  0.676651  1
  Ti  Ti297  1  0.083649  0.831015  0.698210  1
  Ti  Ti298  1  0.578856  0.448866  0.687377  1
  Ti  Ti299  1  0.146358  0.493745  0.673240  1
  Ti  Ti300  1  0.247249  0.114646  0.689626  1
  Ti  Ti301  1  0.735577  0.475514  0.648435  1
  Ti  Ti302  1  0.811302  0.158554  0.672156  1
  Ti  Ti303  1  0.907434  0.781021  0.691152  1
  Ti  Ti304  1  0.407367  0.142888  0.649168  1
  Ti  Ti305  1  0.462471  0.831024  0.672105  1
  Ti  Ti306  1  0.084211  0.813717  0.648280  1
  Ti  Ti307  1  0.412207  0.474678  0.668730  1
  Ti  Ti308  1  0.908709  0.480525  0.672025  1
  Ti  Ti309  1  0.081901  0.138558  0.669135  1
  Ti  Ti310  1  0.542732  0.450244  0.636233  1
  Ti  Ti311  1  0.575219  0.149981  0.673093  1
  Ti  Ti312  1  0.750834  0.805211  0.669781  1
  Ti  Ti313  1  0.214331  0.111952  0.638831  1
  Ti  Ti314  1  0.249545  0.819238  0.673076  1
  Ti  Ti315  1  0.880849  0.778522  0.639180  1
  Ti  Ti316  1  0.434148  0.388408  0.676673  1
  Ti  Ti317  1  0.000474  0.425301  0.657048  1
  Ti  Ti318  1  0.095691  0.053038  0.679850  1
  Ti  Ti319  1  0.891559  0.353544  0.684293  1
  Ti  Ti320  1  0.659935  0.093008  0.656667  1
  Ti  Ti321  1  0.761516  0.716828  0.682030  1
  Ti  Ti322  1  0.557214  0.020833  0.683935  1
  Ti  Ti323  1  0.324100  0.759522  0.656252  1
  Ti  Ti324  1  0.216404  0.687693  0.683859  1
  Nb  Nb325  1  0.737496  0.535119  0.339110  1
  Nb  Nb326  1  0.689417  0.527711  0.381476  1
  Nb  Nb327  1  0.394930  0.209057  0.337928  1
  Nb  Nb328  1  0.261947  0.476117  0.323583  1
  Nb  Nb329  1  0.366724  0.204176  0.381858  1
  Nb  Nb330  1  0.062474  0.872107  0.337551  1
  Nb  Nb331  1  0.925844  0.145394  0.323834  1
  Nb  Nb332  1  0.017632  0.860203  0.379970  1
  Nb  Nb333  1  0.590303  0.814833  0.323326  1
  Nb  Nb334  1  0.115638  0.687168  0.360789  1
  Nb  Nb335  1  0.617313  0.724991  0.334397  1
  Nb  Nb336  1  0.757448  0.357136  0.358700  1
  Nb  Nb337  1  0.145105  0.684131  0.317252  1
  Nb  Nb338  1  0.227580  0.386758  0.352703  1
  Nb  Nb339  1  0.430775  0.026542  0.358184  1
  Nb  Nb340  1  0.801535  0.353355  0.315795  1
  Nb  Nb341  1  0.904762  0.053453  0.351604  1
  Nb  Nb342  1  0.468631  0.022862  0.315071  1
  Nb  Nb343  1  0.173838  0.482316  0.359238  1
  Nb  Nb344  1  0.071905  0.495931  0.389955  1
  Nb  Nb345  1  0.840673  0.154645  0.359015  1
  Nb  Nb346  1  0.560583  0.510768  0.409790  1
  Nb  Nb347  1  0.737534  0.167529  0.390082  1
  Nb  Nb348  1  0.503438  0.828530  0.357851  1
  Nb  Nb349  1  0.236612  0.174942  0.408618  1
  Nb  Nb350  1  0.400768  0.830975  0.390971  1
  Nb  Nb351  1  0.898032  0.835165  0.411658  1
  Nb  Nb352  1  0.463310  0.649989  0.405236  1
  Nb  Nb353  1  0.048798  0.680769  0.405182  1
  Nb  Nb354  1  0.055986  0.320036  0.427330  1
  Nb  Nb355  1  0.540710  0.690862  0.371183  1
  Nb  Nb356  1  0.662427  0.345426  0.397503  1
  Nb  Nb357  1  0.723526  0.979423  0.421971  1
  Nb  Nb358  1  0.152604  0.343354  0.389224  1
  Nb  Nb359  1  0.355108  0.021102  0.400189  1
  Nb  Nb360  1  0.829999  0.007840  0.386291  1
  Nb  Nb361  1  0.441270  0.489497  0.442901  1
  Nb  Nb362  1  0.312762  0.466760  0.472088  1
  Nb  Nb363  1  0.117447  0.150561  0.441151  1
  Nb  Nb364  1  0.841500  0.492022  0.492575  1
  Nb  Nb365  1  0.989447  0.127671  0.471614  1
  Nb  Nb366  1  0.775953  0.826565  0.441937  1
  Nb  Nb367  1  0.553186  0.182031  0.495699  1
  Nb  Nb368  1  0.643596  0.794758  0.471065  1
  Nb  Nb369  1  0.225661  0.854455  0.495171  1
  Nb  Nb370  1  0.598641  0.639801  0.508546  1
  Nb  Nb371  1  0.180832  0.647088  0.463742  1
  Nb  Nb372  1  0.264380  0.298135  0.511891  1
  Nb  Nb373  1  0.902172  0.650382  0.411241  1
  Nb  Nb374  1  0.904316  0.307922  0.462083  1
  Nb  Nb375  1  0.935690  0.975631  0.511394  1
  Nb  Nb376  1  0.525755  0.298769  0.405777  1
  Nb  Nb377  1  0.566364  0.980059  0.459775  1
  Nb  Nb378  1  0.222078  0.977665  0.411314  1
  Nb  Nb379  1  0.714576  0.452637  0.513759  1
  Nb  Nb380  1  0.590257  0.437625  0.544510  1
  Nb  Nb381  1  0.418763  0.133537  0.509312  1
  Nb  Nb382  1  0.200787  0.447548  0.504585  1
  Nb  Nb383  1  0.290134  0.106816  0.534026  1
  Nb  Nb384  1  0.090652  0.809331  0.510765  1
  Nb  Nb385  1  0.877080  0.106376  0.503105  1
  Nb  Nb386  1  0.960845  0.775995  0.533635  1
  Nb  Nb387  1  0.533613  0.763829  0.501331  1
  Nb  Nb388  1  0.948641  0.575300  0.514925  1
  Nb  Nb389  1  0.491725  0.611139  0.540226  1
  Nb  Nb390  1  0.641209  0.249560  0.514039  1
  Nb  Nb391  1  0.084946  0.617550  0.498045  1
  Nb  Nb392  1  0.158041  0.271179  0.544057  1
  Nb  Nb393  1  0.316066  0.918556  0.515186  1
  Nb  Nb394  1  0.773314  0.284196  0.491907  1
  Nb  Nb395  1  0.833540  0.939539  0.542626  1
  Nb  Nb396  1  0.443231  0.952351  0.489717  1
  Nb  Nb397  1  0.881444  0.416827  0.591511  1
  Nb  Nb398  1  0.786642  0.378680  0.621885  1
  Nb  Nb399  1  0.547083  0.083546  0.591134  1
  Nb  Nb400  1  0.403582  0.419694  0.590656  1
  Nb  Nb401  1  0.446994  0.046946  0.621100  1
  Nb  Nb402  1  0.212826  0.752696  0.592530  1
  Nb  Nb403  1  0.054887  0.085013  0.599136  1
  Nb  Nb404  1  0.110999  0.711302  0.619879  1
  Nb  Nb405  1  0.707798  0.744872  0.600423  1
  Nb  Nb406  1  0.244936  0.592533  0.605608  1
  Nb  Nb407  1  0.742908  0.575411  0.616484  1
  Nb  Nb408  1  0.900666  0.256517  0.604385  1
  Nb  Nb409  1  0.367445  0.595431  0.573495  1
  Nb  Nb410  1  0.414490  0.240755  0.617888  1
  Nb  Nb411  1  0.573525  0.918446  0.601102  1
  Nb  Nb412  1  0.030713  0.258038  0.575063  1
  Nb  Nb413  1  0.075962  0.909497  0.616300  1
  Nb  Nb414  1  0.703370  0.922887  0.572099  1
  Nb  Nb415  1  0.279093  0.408863  0.620394  1
  Nb  Nb416  1  0.198639  0.395874  0.660190  1
  Nb  Nb417  1  0.927683  0.073637  0.625820  1
  Nb  Nb418  1  0.701011  0.377867  0.660015  1
  Nb  Nb419  1  0.853551  0.057423  0.665809  1
  Nb  Nb420  1  0.592617  0.739901  0.630738  1
  Nb  Nb421  1  0.365105  0.042759  0.659729  1
  Nb  Nb422  1  0.520375  0.729625  0.671658  1
  Nb  Nb423  1  0.033314  0.714711  0.658496  1
  Nb  Nb424  1  0.583370  0.565725  0.689603  1
  Nb  Nb425  1  0.128150  0.571056  0.634479  1
  Nb  Nb426  1  0.247578  0.232449  0.687971  1
  Nb  Nb427  1  0.641559  0.555264  0.649440  1
  Nb  Nb428  1  0.790122  0.234616  0.634766  1
  Nb  Nb429  1  0.912497  0.898805  0.687471  1
  Nb  Nb430  1  0.302288  0.219581  0.647770  1
  Nb  Nb431  1  0.456827  0.901040  0.630375  1
  Nb  Nb432  1  0.969563  0.885797  0.647530  1
