# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.53399337
_cell_length_b   58.01532897
_cell_length_c   46.77149702
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.74782998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti648 Nb216'
_cell_volume   39164.2777131
_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
  Ti  Ti1  1  0.247140  0.935630  0.318003  1
  Ti  Ti2  1  0.878969  0.916684  0.291420  1
  Ti  Ti3  1  0.914488  0.604852  0.317593  1
  Ti  Ti4  1  0.998427  0.764035  0.357419  1
  Ti  Ti5  1  0.547044  0.585445  0.289768  1
  Ti  Ti6  1  0.590850  0.767165  0.318686  1
  Ti  Ti7  1  0.663771  0.931817  0.352986  1
  Ti  Ti8  1  0.603007  0.261959  0.321224  1
  Ti  Ti9  1  0.672161  0.432902  0.352577  1
  Ti  Ti10  1  0.224984  0.751707  0.289120  1
  Ti  Ti11  1  0.200490  0.252586  0.291799  1
  Ti  Ti12  1  0.257630  0.434441  0.318478  1
  Ti  Ti13  1  0.326130  0.598808  0.353711  1
  Ti  Ti14  1  0.326501  0.097888  0.354746  1
  Ti  Ti15  1  0.886130  0.416240  0.290452  1
  Ti  Ti16  1  0.936697  0.093428  0.321417  1
  Ti  Ti17  1  0.991345  0.264898  0.354908  1
  Ti  Ti18  1  0.570213  0.085142  0.291627  1
  Ti  Ti19  1  0.475876  0.912240  0.346781  1
  Ti  Ti20  1  0.053939  0.920360  0.316324  1
  Ti  Ti21  1  0.122447  0.577121  0.340091  1
  Ti  Ti22  1  0.074641  0.766481  0.307400  1
  Ti  Ti23  1  0.717682  0.586572  0.316765  1
  Ti  Ti24  1  0.798730  0.745407  0.346906  1
  Ti  Ti25  1  0.736281  0.935873  0.305380  1
  Ti  Ti26  1  0.797591  0.247063  0.348381  1
  Ti  Ti27  1  0.746028  0.436819  0.303390  1
  Ti  Ti28  1  0.400914  0.757048  0.313531  1
  Ti  Ti29  1  0.369215  0.252421  0.316819  1
  Ti  Ti30  1  0.469261  0.412957  0.343680  1
  Ti  Ti31  1  0.407767  0.603616  0.306635  1
  Ti  Ti32  1  0.413178  0.100523  0.305998  1
  Ti  Ti33  1  0.059236  0.420890  0.317910  1
  Ti  Ti34  1  0.105812  0.077911  0.344867  1
  Ti  Ti35  1  0.052776  0.267429  0.304019  1
  Ti  Ti36  1  0.742594  0.091305  0.314695  1
  Ti  Ti37  1  0.345985  0.879677  0.340585  1
  Ti  Ti38  1  0.926752  0.879040  0.301064  1
  Ti  Ti39  1  0.010703  0.539001  0.342158  1
  Ti  Ti40  1  0.746324  0.725553  0.300289  1
  Ti  Ti41  1  0.594353  0.547176  0.297287  1
  Ti  Ti42  1  0.663090  0.711601  0.342261  1
  Ti  Ti43  1  0.429753  0.892519  0.299236  1
  Ti  Ti44  1  0.668743  0.212469  0.345055  1
  Ti  Ti45  1  0.422742  0.391024  0.300297  1
  Ti  Ti46  1  0.246769  0.713789  0.301677  1
  Ti  Ti47  1  0.246032  0.212900  0.298229  1
  Ti  Ti48  1  0.349876  0.374791  0.343408  1
  Ti  Ti49  1  0.084612  0.554633  0.297340  1
  Ti  Ti50  1  0.070578  0.054698  0.299669  1
  Ti  Ti51  1  0.934036  0.378994  0.298205  1
  Ti  Ti52  1  0.986367  0.043216  0.344371  1
  Ti  Ti53  1  0.755847  0.226084  0.302467  1
  Ti  Ti54  1  0.563474  0.046956  0.304596  1
  Ti  Ti55  1  0.434003  0.847316  0.322325  1
  Ti  Ti56  1  0.985634  0.835226  0.311215  1
  Ti  Ti57  1  0.112736  0.511384  0.321219  1
  Ti  Ti58  1  0.211867  0.682669  0.345194  1
  Ti  Ti59  1  0.645841  0.503668  0.308358  1
  Ti  Ti60  1  0.763748  0.681814  0.323847  1
  Ti  Ti61  1  0.860452  0.851509  0.346751  1
  Ti  Ti62  1  0.769285  0.181655  0.328728  1
  Ti  Ti63  1  0.881206  0.352432  0.343271  1
  Ti  Ti64  1  0.315559  0.667620  0.303832  1
  Ti  Ti65  1  0.325849  0.168174  0.299640  1
  Ti  Ti66  1  0.450647  0.346195  0.323355  1
  Ti  Ti67  1  0.524714  0.519708  0.344881  1
  Ti  Ti68  1  0.545912  0.011721  0.341364  1
  Ti  Ti69  1  0.997424  0.335128  0.308271  1
  Ti  Ti70  1  0.093659  0.013308  0.326105  1
  Ti  Ti71  1  0.222135  0.180754  0.338905  1
  Ti  Ti72  1  0.645407  0.000711  0.298867  1
  Ti  Ti73  1  0.243641  0.839289  0.319393  1
  Ti  Ti74  1  0.804854  0.844781  0.294652  1
  Ti  Ti75  1  0.913995  0.505537  0.314798  1
  Ti  Ti76  1  0.042342  0.670529  0.352437  1
  Ti  Ti77  1  0.460081  0.512331  0.296050  1
  Ti  Ti78  1  0.575604  0.673089  0.315360  1
  Ti  Ti79  1  0.680270  0.832562  0.337955  1
  Ti  Ti80  1  0.582013  0.173922  0.318105  1
  Ti  Ti81  1  0.629915  0.330717  0.344985  1
  Ti  Ti82  1  0.126804  0.678594  0.299021  1
  Ti  Ti83  1  0.102296  0.180126  0.302219  1
  Ti  Ti84  1  0.252920  0.339681  0.316681  1
  Ti  Ti85  1  0.341284  0.500330  0.343674  1
  Ti  Ti86  1  0.366101  0.004597  0.345019  1
  Ti  Ti87  1  0.786874  0.346565  0.300842  1
  Ti  Ti88  1  0.904610  0.005814  0.316233  1
  Ti  Ti89  1  0.958631  0.164888  0.342818  1
  Ti  Ti90  1  0.456450  0.011986  0.294142  1
  Ti  Ti91  1  0.121929  0.811510  0.286082  1
  Ti  Ti92  1  0.058356  0.804699  0.333794  1
  Ti  Ti93  1  0.788356  0.480538  0.282875  1
  Ti  Ti94  1  0.950123  0.653495  0.304164  1
  Ti  Ti95  1  0.728853  0.474142  0.330847  1
  Ti  Ti96  1  0.463930  0.645179  0.281976  1
  Ti  Ti97  1  0.600099  0.811785  0.297580  1
  Ti  Ti98  1  0.467797  0.144533  0.284778  1
  Ti  Ti99  1  0.614239  0.318531  0.296962  1
  Ti  Ti100  1  0.401797  0.642486  0.331300  1
  Ti  Ti101  1  0.390016  0.139967  0.331689  1
  Ti  Ti102  1  0.133002  0.311018  0.284031  1
  Ti  Ti103  1  0.276274  0.482804  0.297487  1
  Ti  Ti104  1  0.280131  0.983946  0.300053  1
  Ti  Ti105  1  0.064127  0.305096  0.331484  1
  Ti  Ti106  1  0.791746  0.977870  0.281689  1
  Ti  Ti107  1  0.941991  0.146255  0.297050  1
  Ti  Ti108  1  0.725352  0.975015  0.330477  1
  Ti  Ti109  1  0.574096  0.926736  0.396313  1
  Ti  Ti110  1  0.156054  0.934376  0.363661  1
  Ti  Ti111  1  0.248157  0.594543  0.399844  1
  Ti  Ti112  1  0.273029  0.741316  0.433349  1
  Ti  Ti113  1  0.828727  0.602021  0.362612  1
  Ti  Ti114  1  0.896717  0.761342  0.397283  1
  Ti  Ti115  1  0.921883  0.907967  0.425694  1
  Ti  Ti116  1  0.887845  0.263228  0.398527  1
  Ti  Ti117  1  0.949624  0.407833  0.432987  1
  Ti  Ti118  1  0.490373  0.766475  0.363576  1
  Ti  Ti119  1  0.488951  0.260997  0.368387  1
  Ti  Ti120  1  0.568563  0.429852  0.392955  1
  Ti  Ti121  1  0.592918  0.572495  0.428132  1
  Ti  Ti122  1  0.642182  0.077676  0.426128  1
  Ti  Ti123  1  0.161250  0.432387  0.365721  1
  Ti  Ti124  1  0.214305  0.093778  0.395253  1
  Ti  Ti125  1  0.314606  0.247309  0.426718  1
  Ti  Ti126  1  0.824447  0.093251  0.369694  1
  Ti  Ti127  1  0.779409  0.905898  0.387076  1
  Ti  Ti128  1  0.301763  0.911613  0.368335  1
  Ti  Ti129  1  0.456367  0.572344  0.387399  1
  Ti  Ti130  1  0.182620  0.736815  0.342590  1
  Ti  Ti131  1  0.964402  0.576455  0.361716  1
  Ti  Ti132  1  0.130539  0.739246  0.394753  1
  Ti  Ti133  1  0.879136  0.902433  0.344353  1
  Ti  Ti134  1  0.149280  0.231779  0.399250  1
  Ti  Ti135  1  0.884567  0.402629  0.343482  1
  Ti  Ti136  1  0.636789  0.745404  0.369865  1
  Ti  Ti137  1  0.647361  0.246347  0.376898  1
  Ti  Ti138  1  0.813524  0.401201  0.394695  1
  Ti  Ti139  1  0.542874  0.569706  0.341527  1
  Ti  Ti140  1  0.491627  0.069774  0.344050  1
  Ti  Ti141  1  0.312136  0.410778  0.367874  1
  Ti  Ti142  1  0.472469  0.067845  0.402622  1
  Ti  Ti143  1  0.186406  0.236009  0.341999  1
  Ti  Ti144  1  0.975683  0.078424  0.379222  1
  Ti  Ti145  1  0.689090  0.896065  0.424954  1
  Ti  Ti146  1  0.267813  0.881679  0.405543  1
  Ti  Ti147  1  0.349388  0.562303  0.421431  1
  Ti  Ti148  1  0.135241  0.697915  0.390098  1
  Ti  Ti149  1  0.937330  0.553124  0.405285  1
  Ti  Ti150  1  0.008028  0.734140  0.425470  1
  Ti  Ti151  1  0.813497  0.865209  0.394984  1
  Ti  Ti152  1  0.009715  0.234845  0.423612  1
  Ti  Ti153  1  0.801476  0.357636  0.386136  1
  Ti  Ti154  1  0.581189  0.712668  0.398482  1
  Ti  Ti155  1  0.567723  0.211538  0.393735  1
  Ti  Ti156  1  0.684795  0.406828  0.425548  1
  Ti  Ti157  1  0.467797  0.528090  0.394314  1
  Ti  Ti158  1  0.468192  0.026707  0.384675  1
  Ti  Ti159  1  0.263873  0.381503  0.406814  1
  Ti  Ti160  1  0.329494  0.066050  0.423738  1
  Ti  Ti161  1  0.123055  0.189527  0.376899  1
  Ti  Ti162  1  0.886845  0.041757  0.391495  1
  Ti  Ti163  1  0.680261  0.840259  0.408134  1
  Ti  Ti164  1  0.311489  0.844430  0.373410  1
  Ti  Ti165  1  0.329230  0.507576  0.412380  1
  Ti  Ti166  1  0.506646  0.678655  0.420833  1
  Ti  Ti167  1  0.981561  0.509095  0.376105  1
  Ti  Ti168  1  0.009421  0.673385  0.413010  1
  Ti  Ti169  1  0.182716  0.844192  0.420666  1
  Ti  Ti170  1  0.027471  0.184735  0.418453  1
  Ti  Ti171  1  0.185434  0.343221  0.422346  1
  Ti  Ti172  1  0.653166  0.675121  0.372974  1
  Ti  Ti173  1  0.641798  0.174587  0.375579  1
  Ti  Ti174  1  0.669668  0.344314  0.416197  1
  Ti  Ti175  1  0.852807  0.513026  0.417482  1
  Ti  Ti176  1  0.828670  0.005776  0.416148  1
  Ti  Ti177  1  0.308396  0.341515  0.375596  1
  Ti  Ti178  1  0.338933  0.011293  0.414326  1
  Ti  Ti179  1  0.489259  0.174577  0.415873  1
  Ti  Ti180  1  0.980517  0.006383  0.373973  1
  Ti  Ti181  1  0.452244  0.818027  0.392143  1
  Ti  Ti182  1  0.140253  0.834521  0.365068  1
  Ti  Ti183  1  0.135566  0.485234  0.388446  1
  Ti  Ti184  1  0.210272  0.665868  0.418041  1
  Ti  Ti185  1  0.817789  0.502130  0.361814  1
  Ti  Ti186  1  0.797323  0.649436  0.392078  1
  Ti  Ti187  1  0.880863  0.829649  0.419715  1
  Ti  Ti188  1  0.813552  0.155482  0.379871  1
  Ti  Ti189  1  0.887479  0.332610  0.422364  1
  Ti  Ti190  1  0.491246  0.672672  0.363265  1
  Ti  Ti191  1  0.477745  0.168632  0.361184  1
  Ti  Ti192  1  0.478112  0.322170  0.379617  1
  Ti  Ti193  1  0.558000  0.495676  0.419496  1
  Ti  Ti194  1  0.550783  0.996627  0.416207  1
  Ti  Ti195  1  0.146495  0.334685  0.361725  1
  Ti  Ti196  1  0.134226  0.984595  0.391038  1
  Ti  Ti197  1  0.213570  0.167592  0.419831  1
  Ti  Ti198  1  0.809896  0.003358  0.362579  1
  Ti  Ti199  1  0.526730  0.808753  0.346253  1
  Ti  Ti200  1  0.378162  0.771873  0.401174  1
  Ti  Ti201  1  0.197881  0.471895  0.343070  1
  Ti  Ti202  1  0.307773  0.655392  0.372714  1
  Ti  Ti203  1  0.051135  0.439368  0.400992  1
  Ti  Ti204  1  0.877987  0.645539  0.348900  1
  Ti  Ti205  1  0.966504  0.820880  0.374780  1
  Ti  Ti206  1  0.859237  0.126595  0.340230  1
  Ti  Ti207  1  0.971883  0.321004  0.374358  1
  Ti  Ti208  1  0.718889  0.602369  0.399867  1
  Ti  Ti209  1  0.732862  0.116389  0.400627  1
  Ti  Ti210  1  0.526794  0.294297  0.339088  1
  Ti  Ti211  1  0.639378  0.489146  0.371635  1
  Ti  Ti212  1  0.637539  0.984956  0.373375  1
  Ti  Ti213  1  0.394912  0.283185  0.397976  1
  Ti  Ti214  1  0.203188  0.977399  0.345048  1
  Ti  Ti215  1  0.305435  0.153934  0.376765  1
  Ti  Ti216  1  0.052841  0.939909  0.402304  1
  Ti  Ti217  1  0.802951  0.919339  0.467627  1
  Ti  Ti218  1  0.364831  0.912804  0.442964  1
  Ti  Ti219  1  0.454056  0.587843  0.458067  1
  Ti  Ti220  1  0.590455  0.748465  0.500261  1
  Ti  Ti221  1  0.053980  0.578782  0.447459  1
  Ti  Ti222  1  0.143326  0.750751  0.465254  1
  Ti  Ti223  1  0.259413  0.916449  0.505200  1
  Ti  Ti224  1  0.171396  0.249160  0.455782  1
  Ti  Ti225  1  0.243989  0.416639  0.503407  1
  Ti  Ti226  1  0.692435  0.744734  0.445641  1
  Ti  Ti227  1  0.733626  0.252332  0.438432  1
  Ti  Ti228  1  0.819495  0.420466  0.467446  1
  Ti  Ti229  1  0.898755  0.582357  0.501417  1
  Ti  Ti230  1  0.912219  0.082082  0.509345  1
  Ti  Ti231  1  0.362369  0.412273  0.440426  1
  Ti  Ti232  1  0.455905  0.087902  0.465646  1
  Ti  Ti233  1  0.558955  0.248973  0.507578  1
  Ti  Ti234  1  0.075508  0.085385  0.437919  1
  Ti  Ti235  1  0.994244  0.898111  0.470590  1
  Ti  Ti236  1  0.566507  0.909654  0.455758  1
  Ti  Ti237  1  0.662334  0.563486  0.475301  1
  Ti  Ti238  1  0.498038  0.737145  0.433019  1
  Ti  Ti239  1  0.246056  0.581432  0.459770  1
  Ti  Ti240  1  0.325171  0.730956  0.482474  1
  Ti  Ti241  1  0.165498  0.906502  0.431719  1
  Ti  Ti242  1  0.331079  0.228671  0.479802  1
  Ti  Ti243  1  0.162277  0.405056  0.436664  1
  Ti  Ti244  1  0.882324  0.740193  0.458169  1
  Ti  Ti245  1  0.906829  0.246672  0.460572  1
  Ti  Ti246  1  0.981658  0.396974  0.484012  1
  Ti  Ti247  1  0.818816  0.571246  0.433763  1
  Ti  Ti248  1  0.831041  0.074718  0.424016  1
  Ti  Ti249  1  0.550916  0.406880  0.456897  1
  Ti  Ti250  1  0.656360  0.060500  0.474047  1
  Ti  Ti251  1  0.503735  0.240952  0.427614  1
  Ti  Ti252  1  0.233832  0.075188  0.461772  1
  Ti  Ti253  1  0.899062  0.872695  0.506095  1
  Ti  Ti254  1  0.435372  0.858967  0.459527  1
  Ti  Ti255  1  0.566836  0.525677  0.498599  1
  Ti  Ti256  1  0.340383  0.697513  0.441502  1
  Ti  Ti257  1  0.113797  0.533304  0.458194  1
  Ti  Ti258  1  0.224125  0.687873  0.489413  1
  Ti  Ti259  1  0.015293  0.858177  0.440959  1
  Ti  Ti260  1  0.266445  0.189357  0.509067  1
  Ti  Ti261  1  0.009780  0.362618  0.445344  1
  Ti  Ti262  1  0.771095  0.693897  0.463664  1
  Ti  Ti263  1  0.804203  0.187485  0.471463  1
  Ti  Ti264  1  0.886212  0.348057  0.491757  1
  Ti  Ti265  1  0.683713  0.528608  0.439141  1
  Ti  Ti266  1  0.689099  0.029322  0.432863  1
  Ti  Ti267  1  0.432501  0.362607  0.460301  1
  Ti  Ti268  1  0.610687  0.025989  0.513029  1
  Ti  Ti269  1  0.352318  0.200676  0.438324  1
  Ti  Ti270  1  0.146869  0.028894  0.468761  1
  Ti  Ti271  1  0.926776  0.834179  0.478619  1
  Ti  Ti272  1  0.558339  0.833791  0.446210  1
  Ti  Ti273  1  0.632781  0.493163  0.471460  1
  Ti  Ti274  1  0.715575  0.664084  0.497761  1
  Ti  Ti275  1  0.212978  0.500465  0.448978  1
  Ti  Ti276  1  0.298579  0.654860  0.466076  1
  Ti  Ti277  1  0.362431  0.833681  0.496736  1
  Ti  Ti278  1  0.315794  0.163718  0.465478  1
  Ti  Ti279  1  0.358311  0.331981  0.491845  1
  Ti  Ti280  1  0.882850  0.665973  0.448463  1
  Ti  Ti281  1  0.893217  0.165350  0.444129  1
  Ti  Ti282  1  0.986487  0.319199  0.468829  1
  Ti  Ti283  1  0.038377  0.501124  0.486709  1
  Ti  Ti284  1  0.046462  0.998266  0.493545  1
  Ti  Ti285  1  0.539644  0.333399  0.449839  1
  Ti  Ti286  1  0.628408  0.998677  0.469025  1
  Ti  Ti287  1  0.712867  0.164852  0.501937  1
  Ti  Ti288  1  0.218795  0.998746  0.448265  1
  Ti  Ti289  1  0.750411  0.821942  0.456531  1
  Ti  Ti290  1  0.333104  0.825862  0.432022  1
  Ti  Ti291  1  0.430293  0.488198  0.457979  1
  Ti  Ti292  1  0.544084  0.650174  0.470694  1
  Ti  Ti293  1  0.014982  0.493966  0.429303  1
  Ti  Ti294  1  0.095349  0.653075  0.462141  1
  Ti  Ti295  1  0.185600  0.816249  0.476608  1
  Ti  Ti296  1  0.082775  0.152016  0.459571  1
  Ti  Ti297  1  0.180451  0.315108  0.474432  1
  Ti  Ti298  1  0.672917  0.659495  0.429934  1
  Ti  Ti299  1  0.686455  0.155224  0.426511  1
  Ti  Ti300  1  0.751539  0.318140  0.460817  1
  Ti  Ti301  1  0.863357  0.483514  0.472138  1
  Ti  Ti302  1  0.873925  0.983579  0.471568  1
  Ti  Ti303  1  0.352552  0.326317  0.427577  1
  Ti  Ti304  1  0.428561  0.988040  0.457601  1
  Ti  Ti305  1  0.567245  0.149758  0.465914  1
  Ti  Ti306  1  0.006863  0.990068  0.430881  1
  Ti  Ti307  1  0.815416  0.781373  0.431522  1
  Ti  Ti308  1  0.672128  0.784217  0.471003  1
  Ti  Ti309  1  0.505552  0.447742  0.433208  1
  Ti  Ti310  1  0.597263  0.615073  0.438742  1
  Ti  Ti311  1  0.336593  0.448723  0.469110  1
  Ti  Ti312  1  0.189080  0.619054  0.439978  1
  Ti  Ti313  1  0.256767  0.783974  0.444332  1
  Ti  Ti314  1  0.187796  0.120457  0.433793  1
  Ti  Ti315  1  0.266048  0.288467  0.440810  1
  Ti  Ti316  1  0.997875  0.612777  0.473424  1
  Ti  Ti317  1  0.000572  0.106453  0.471905  1
  Ti  Ti318  1  0.858297  0.287197  0.441405  1
  Ti  Ti319  1  0.934968  0.451338  0.442582  1
  Ti  Ti320  1  0.930696  0.949498  0.443834  1
  Ti  Ti321  1  0.657670  0.272553  0.474538  1
  Ti  Ti322  1  0.497268  0.948720  0.432561  1
  Ti  Ti323  1  0.592803  0.112133  0.442922  1
  Ti  Ti324  1  0.339690  0.950024  0.469767  1
  Ti  Ti325  1  0.117394  0.909364  0.541619  1
  Ti  Ti326  1  0.679917  0.916302  0.523155  1
  Ti  Ti327  1  0.774117  0.574761  0.541243  1
  Ti  Ti328  1  0.823159  0.740040  0.570698  1
  Ti  Ti329  1  0.338103  0.586845  0.523856  1
  Ti  Ti330  1  0.451287  0.741595  0.534978  1
  Ti  Ti331  1  0.515997  0.907733  0.569432  1
  Ti  Ti332  1  0.422234  0.232991  0.537311  1
  Ti  Ti333  1  0.509284  0.404454  0.572547  1
  Ti  Ti334  1  0.983411  0.747226  0.526037  1
  Ti  Ti335  1  0.971063  0.250708  0.529660  1
  Ti  Ti336  1  0.120579  0.410824  0.540566  1
  Ti  Ti337  1  0.159027  0.568900  0.576197  1
  Ti  Ti338  1  0.179210  0.073801  0.569787  1
  Ti  Ti339  1  0.692138  0.417387  0.525001  1
  Ti  Ti340  1  0.754653  0.066519  0.540296  1
  Ti  Ti341  1  0.834592  0.238158  0.574245  1
  Ti  Ti342  1  0.352830  0.085699  0.520019  1
  Ti  Ti343  1  0.290621  0.902311  0.561717  1
  Ti  Ti344  1  0.842113  0.898729  0.539095  1
  Ti  Ti345  1  0.970701  0.560881  0.551212  1
  Ti  Ti346  1  0.748710  0.728636  0.496204  1
  Ti  Ti347  1  0.530253  0.558927  0.535099  1
  Ti  Ti348  1  0.623130  0.731946  0.557879  1
  Ti  Ti349  1  0.418825  0.895657  0.488942  1
  Ti  Ti350  1  0.594826  0.226863  0.564686  1
  Ti  Ti351  1  0.390896  0.395386  0.488407  1
  Ti  Ti352  1  0.201362  0.725890  0.526890  1
  Ti  Ti353  1  0.208583  0.225067  0.535554  1
  Ti  Ti354  1  0.296913  0.401181  0.559518  1
  Ti  Ti355  1  0.062964  0.561102  0.498798  1
  Ti  Ti356  1  0.089437  0.065205  0.496448  1
  Ti  Ti357  1  0.863392  0.394331  0.528077  1
  Ti  Ti358  1  0.956888  0.066311  0.555348  1
  Ti  Ti359  1  0.779312  0.231556  0.492167  1
  Ti  Ti360  1  0.549336  0.058565  0.538875  1
  Ti  Ti361  1  0.179609  0.866139  0.573286  1
  Ti  Ti362  1  0.737036  0.862594  0.555114  1
  Ti  Ti363  1  0.841295  0.534199  0.571394  1
  Ti  Ti364  1  0.656805  0.698940  0.528857  1
  Ti  Ti365  1  0.401733  0.529700  0.554713  1
  Ti  Ti366  1  0.516322  0.695755  0.570310  1
  Ti  Ti367  1  0.327153  0.871213  0.529638  1
  Ti  Ti368  1  0.477865  0.192682  0.562172  1
  Ti  Ti369  1  0.327752  0.366674  0.530675  1
  Ti  Ti370  1  0.076854  0.698723  0.556392  1
  Ti  Ti371  1  0.066778  0.197400  0.559591  1
  Ti  Ti372  1  0.186868  0.367370  0.573154  1
  Ti  Ti373  1  0.996792  0.521272  0.532306  1
  Ti  Ti374  1  0.001223  0.032127  0.525899  1
  Ti  Ti375  1  0.749911  0.365867  0.554116  1
  Ti  Ti376  1  0.811363  0.028687  0.557893  1
  Ti  Ti377  1  0.685586  0.210932  0.528806  1
  Ti  Ti378  1  0.405959  0.031535  0.558633  1
  Ti  Ti379  1  0.246836  0.828205  0.543138  1
  Ti  Ti380  1  0.805630  0.831020  0.525696  1
  Ti  Ti381  1  0.886137  0.491495  0.548424  1
  Ti  Ti382  1  0.996961  0.656808  0.569171  1
  Ti  Ti383  1  0.463889  0.496247  0.526115  1
  Ti  Ti384  1  0.580972  0.658634  0.541337  1
  Ti  Ti385  1  0.657615  0.821689  0.568515  1
  Ti  Ti386  1  0.583127  0.161917  0.539814  1
  Ti  Ti387  1  0.649860  0.325567  0.572299  1
  Ti  Ti388  1  0.123297  0.664336  0.527108  1
  Ti  Ti389  1  0.120747  0.164581  0.529792  1
  Ti  Ti390  1  0.247994  0.327174  0.543085  1
  Ti  Ti391  1  0.329099  0.487241  0.568775  1
  Ti  Ti392  1  0.327200  0.987699  0.567355  1
  Ti  Ti393  1  0.769634  0.330534  0.531359  1
  Ti  Ti394  1  0.908306  0.993706  0.538974  1
  Ti  Ti395  1  0.992134  0.153738  0.569947  1
  Ti  Ti396  1  0.461948  0.997428  0.527208  1
  Ti  Ti397  1  0.044756  0.813438  0.523445  1
  Ti  Ti398  1  0.637276  0.816169  0.506862  1
  Ti  Ti399  1  0.704372  0.480433  0.529159  1
  Ti  Ti400  1  0.777281  0.644866  0.551583  1
  Ti  Ti401  1  0.299623  0.482620  0.502003  1
  Ti  Ti402  1  0.392287  0.640649  0.527995  1
  Ti  Ti403  1  0.457257  0.814281  0.552483  1
  Ti  Ti404  1  0.372416  0.154676  0.532705  1
  Ti  Ti405  1  0.444800  0.317682  0.553978  1
  Ti  Ti406  1  0.952647  0.649162  0.502119  1
  Ti  Ti407  1  0.952745  0.148466  0.501336  1
  Ti  Ti408  1  0.062082  0.306683  0.522200  1
  Ti  Ti409  1  0.120295  0.481217  0.554974  1
  Ti  Ti410  1  0.121748  0.981271  0.550264  1
  Ti  Ti411  1  0.620792  0.315343  0.499654  1
  Ti  Ti412  1  0.712621  0.988997  0.530056  1
  Ti  Ti413  1  0.777777  0.143496  0.552054  1
  Ti  Ti414  1  0.291001  0.982847  0.503216  1
  Ti  Ti415  1  0.089702  0.777396  0.500381  1
  Ti  Ti416  1  0.987185  0.784374  0.560797  1
  Ti  Ti417  1  0.746821  0.451943  0.490935  1
  Ti  Ti418  1  0.862133  0.619720  0.529479  1
  Ti  Ti419  1  0.646583  0.451018  0.562178  1
  Ti  Ti420  1  0.391369  0.619219  0.481520  1
  Ti  Ti421  1  0.548648  0.785685  0.530850  1
  Ti  Ti422  1  0.431938  0.127911  0.492617  1
  Ti  Ti423  1  0.521522  0.290171  0.528828  1
  Ti  Ti424  1  0.309973  0.618189  0.566479  1
  Ti  Ti425  1  0.322813  0.115160  0.561668  1
  Ti  Ti426  1  0.051203  0.273364  0.482191  1
  Ti  Ti427  1  0.229853  0.453994  0.537399  1
  Ti  Ti428  1  0.230451  0.952290  0.538362  1
  Ti  Ti429  1  0.979252  0.288654  0.566082  1
  Ti  Ti430  1  0.759075  0.954810  0.496525  1
  Ti  Ti431  1  0.895783  0.119503  0.539529  1
  Ti  Ti432  1  0.661178  0.950123  0.561279  1
  Ti  Ti433  1  0.346759  0.901773  0.627665  1
  Ti  Ti434  1  0.874262  0.909251  0.609403  1
  Ti  Ti435  1  0.031331  0.568844  0.631565  1
  Ti  Ti436  1  0.135933  0.743723  0.656699  1
  Ti  Ti437  1  0.531302  0.575738  0.602630  1
  Ti  Ti438  1  0.696536  0.733511  0.623280  1
  Ti  Ti439  1  0.804268  0.910556  0.659187  1
  Ti  Ti440  1  0.688447  0.234054  0.618237  1
  Ti  Ti441  1  0.808403  0.410605  0.657975  1
  Ti  Ti442  1  0.209115  0.744497  0.604657  1
  Ti  Ti443  1  0.204480  0.244448  0.603722  1
  Ti  Ti444  1  0.345802  0.400366  0.630333  1
  Ti  Ti445  1  0.490657  0.575082  0.657254  1
  Ti  Ti446  1  0.460593  0.074532  0.657631  1
  Ti  Ti447  1  0.884722  0.409407  0.608071  1
  Ti  Ti448  1  0.034999  0.071205  0.638321  1
  Ti  Ti449  1  0.145293  0.242967  0.657461  1
  Ti  Ti450  1  0.542197  0.071879  0.609219  1
  Ti  Ti451  1  0.504650  0.883705  0.631677  1
  Ti  Ti452  1  0.103208  0.883987  0.610467  1
  Ti  Ti453  1  0.174412  0.545935  0.637645  1
  Ti  Ti454  1  0.079095  0.740986  0.566172  1
  Ti  Ti455  1  0.756781  0.553549  0.604209  1
  Ti  Ti456  1  0.844099  0.714282  0.636687  1
  Ti  Ti457  1  0.715979  0.903083  0.574031  1
  Ti  Ti458  1  0.830867  0.217839  0.632233  1
  Ti  Ti459  1  0.730389  0.403646  0.572524  1
  Ti  Ti460  1  0.443795  0.718648  0.602160  1
  Ti  Ti461  1  0.449237  0.219890  0.602938  1
  Ti  Ti462  1  0.511087  0.383737  0.628982  1
  Ti  Ti463  1  0.384347  0.570625  0.568700  1
  Ti  Ti464  1  0.402380  0.073249  0.570222  1
  Ti  Ti465  1  0.094759  0.383551  0.607756  1
  Ti  Ti466  1  0.172686  0.045058  0.636493  1
  Ti  Ti467  1  0.064535  0.238991  0.569207  1
  Ti  Ti468  1  0.746519  0.051134  0.599419  1
  Ti  Ti469  1  0.483907  0.847997  0.658076  1
  Ti  Ti470  1  0.034350  0.827486  0.622348  1
  Ti  Ti471  1  0.125775  0.500400  0.655073  1
  Ti  Ti472  1  0.955768  0.710678  0.598401  1
  Ti  Ti473  1  0.695862  0.497691  0.628478  1
  Ti  Ti474  1  0.808159  0.673703  0.655419  1
  Ti  Ti475  1  0.612681  0.868116  0.599374  1
  Ti  Ti476  1  0.809157  0.180219  0.654630  1
  Ti  Ti477  1  0.612112  0.367762  0.594949  1
  Ti  Ti478  1  0.365905  0.662107  0.621811  1
  Ti  Ti479  1  0.363939  0.157471  0.624713  1
  Ti  Ti480  1  0.477773  0.355633  0.665845  1
  Ti  Ti481  1  0.273172  0.537771  0.596729  1
  Ti  Ti482  1  0.280976  0.041395  0.598900  1
  Ti  Ti483  1  0.035220  0.330652  0.621329  1
  Ti  Ti484  1  0.118773  0.001559  0.650734  1
  Ti  Ti485  1  0.950266  0.206854  0.601401  1
  Ti  Ti486  1  0.687045  0.991276  0.628025  1
  Ti  Ti487  1  0.530816  0.826184  0.614164  1
  Ti  Ti488  1  0.114427  0.816454  0.578386  1
  Ti  Ti489  1  0.202139  0.495158  0.608615  1
  Ti  Ti490  1  0.196477  0.644188  0.635693  1
  Ti  Ti491  1  0.770079  0.484240  0.586499  1
  Ti  Ti492  1  0.880962  0.662280  0.609924  1
  Ti  Ti493  1  0.858843  0.810215  0.633022  1
  Ti  Ti494  1  0.869688  0.159048  0.613930  1
  Ti  Ti495  1  0.868401  0.311168  0.637411  1
  Ti  Ti496  1  0.453111  0.647955  0.581642  1
  Ti  Ti497  1  0.453965  0.145518  0.579467  1
  Ti  Ti498  1  0.527164  0.328316  0.618871  1
  Ti  Ti499  1  0.527235  0.478241  0.635008  1
  Ti  Ti500  1  0.507747  0.976000  0.640551  1
  Ti  Ti501  1  0.120323  0.317247  0.580330  1
  Ti  Ti502  1  0.198201  0.995635  0.607431  1
  Ti  Ti503  1  0.191700  0.144906  0.638203  1
  Ti  Ti504  1  0.782832  0.983686  0.582328  1
  Ti  Ti505  1  0.328075  0.802254  0.584074  1
  Ti  Ti506  1  0.836207  0.804978  0.577152  1
  Ti  Ti507  1  0.994244  0.471678  0.590346  1
  Ti  Ti508  1  0.024744  0.639452  0.624375  1
  Ti  Ti509  1  0.489457  0.469355  0.581375  1
  Ti  Ti510  1  0.647908  0.633341  0.582230  1
  Ti  Ti511  1  0.689480  0.805515  0.624724  1
  Ti  Ti512  1  0.648595  0.135267  0.586430  1
  Ti  Ti513  1  0.692581  0.306070  0.624639  1
  Ti  Ti514  1  0.176180  0.641573  0.583271  1
  Ti  Ti515  1  0.168354  0.136281  0.582916  1
  Ti  Ti516  1  0.318772  0.299212  0.582149  1
  Ti  Ti517  1  0.353426  0.470299  0.626590  1
  Ti  Ti518  1  0.347988  0.971820  0.620777  1
  Ti  Ti519  1  0.839816  0.309263  0.583669  1
  Ti  Ti520  1  0.001313  0.973570  0.587219  1
  Ti  Ti521  1  0.029181  0.138686  0.619386  1
  Ti  Ti522  1  0.492210  0.967573  0.582752  1
  Ti  Ti523  1  0.332018  0.744599  0.569270  1
  Ti  Ti524  1  0.197309  0.787481  0.611517  1
  Ti  Ti525  1  0.987257  0.412232  0.571426  1
  Ti  Ti526  1  0.104119  0.603370  0.607115  1
  Ti  Ti527  1  0.859412  0.451008  0.611623  1
  Ti  Ti528  1  0.655364  0.583203  0.573686  1
  Ti  Ti529  1  0.760244  0.770188  0.602754  1
  Ti  Ti530  1  0.644988  0.085904  0.576493  1
  Ti  Ti531  1  0.775421  0.271975  0.606610  1
  Ti  Ti532  1  0.530641  0.618131  0.614586  1
  Ti  Ti533  1  0.524501  0.113895  0.610024  1
  Ti  Ti534  1  0.332603  0.248926  0.572718  1
  Ti  Ti535  1  0.409072  0.431520  0.599730  1
  Ti  Ti536  1  0.406517  0.931124  0.596966  1
  Ti  Ti537  1  0.199295  0.287498  0.614833  1
  Ti  Ti538  1  0.989180  0.910048  0.574881  1
  Ti  Ti539  1  0.067935  0.096311  0.596992  1
  Ti  Ti540  1  0.862789  0.950864  0.605437  1
  Ti  Ti541  1  0.597182  0.888855  0.683530  1
  Ti  Ti542  1  0.229947  0.903856  0.663676  1
  Ti  Ti543  1  0.266940  0.557650  0.688242  1
  Ti  Ti544  1  0.266580  0.713264  0.692042  1
  Ti  Ti545  1  0.860737  0.569505  0.652868  1
  Ti  Ti546  1  0.937932  0.724160  0.686783  1
  Ti  Ti547  1  0.912117  0.876548  0.696067  1
  Ti  Ti548  1  0.927567  0.221209  0.682858  1
  Ti  Ti549  1  0.922598  0.378022  0.696326  1
  Ti  Ti550  1  0.540490  0.734749  0.651645  1
  Ti  Ti551  1  0.553305  0.235224  0.652847  1
  Ti  Ti552  1  0.609631  0.391627  0.681591  1
  Ti  Ti553  1  0.594327  0.548004  0.694028  1
  Ti  Ti554  1  0.586934  0.045314  0.693682  1
  Ti  Ti555  1  0.188032  0.398586  0.656242  1
  Ti  Ti556  1  0.280184  0.058821  0.683839  1
  Ti  Ti557  1  0.252805  0.213776  0.692446  1
  Ti  Ti558  1  0.888739  0.071653  0.663356  1
  Ti  Ti559  1  0.766100  0.896612  0.711409  1
  Ti  Ti560  1  0.401154  0.882821  0.680463  1
  Ti  Ti561  1  0.439829  0.562030  0.710761  1
  Ti  Ti562  1  0.340019  0.714952  0.642539  1
  Ti  Ti563  1  0.082000  0.544433  0.682881  1
  Ti  Ti564  1  0.120169  0.728895  0.709556  1
  Ti  Ti565  1  0.991720  0.880256  0.647658  1
  Ti  Ti566  1  0.099461  0.230811  0.708108  1
  Ti  Ti567  1  0.993682  0.382790  0.646924  1
  Ti  Ti568  1  0.742209  0.715193  0.679572  1
  Ti  Ti569  1  0.732050  0.215812  0.677741  1
  Ti  Ti570  1  0.774889  0.396217  0.710581  1
  Ti  Ti571  1  0.661475  0.549715  0.645109  1
  Ti  Ti572  1  0.668751  0.048552  0.645150  1
  Ti  Ti573  1  0.392668  0.385917  0.684153  1
  Ti  Ti574  1  0.443988  0.061403  0.711177  1
  Ti  Ti575  1  0.344531  0.214995  0.645315  1
  Ti  Ti576  1  0.085076  0.041314  0.681783  1
  Ti  Ti577  1  0.874127  0.832401  0.714961  1
  Ti  Ti578  1  0.401037  0.842684  0.707895  1
  Ti  Ti579  1  0.539701  0.504269  0.717454  1
  Ti  Ti580  1  0.279402  0.673570  0.666582  1
  Ti  Ti581  1  0.044824  0.495628  0.698265  1
  Ti  Ti582  1  0.208699  0.669148  0.714275  1
  Ti  Ti583  1  0.943319  0.837081  0.667013  1
  Ti  Ti584  1  0.217644  0.169820  0.717025  1
  Ti  Ti585  1  0.946802  0.340990  0.666933  1
  Ti  Ti586  1  0.742455  0.673943  0.704537  1
  Ti  Ti587  1  0.738103  0.173066  0.703872  1
  Ti  Ti588  1  0.873441  0.333639  0.715407  1
  Ti  Ti589  1  0.596881  0.507855  0.668846  1
  Ti  Ti590  1  0.598155  0.007548  0.668860  1
  Ti  Ti591  1  0.388090  0.333036  0.706537  1
  Ti  Ti592  1  0.540932  0.002949  0.718896  1
  Ti  Ti593  1  0.276940  0.174394  0.668111  1
  Ti  Ti594  1  0.044381  0.993026  0.695342  1
  Ti  Ti595  1  0.753601  0.806281  0.679436  1
  Ti  Ti596  1  0.370559  0.815516  0.667207  1
  Ti  Ti597  1  0.428670  0.474863  0.681745  1
  Ti  Ti598  1  0.528091  0.634619  0.707345  1
  Ti  Ti599  1  0.952309  0.474575  0.652409  1
  Ti  Ti600  1  0.087875  0.640381  0.679390  1
  Ti  Ti601  1  0.214488  0.799925  0.701781  1
  Ti  Ti602  1  0.103793  0.142490  0.685595  1
  Ti  Ti603  1  0.236947  0.299246  0.695054  1
  Ti  Ti604  1  0.660136  0.647159  0.669253  1
  Ti  Ti605  1  0.680648  0.148768  0.664587  1
  Ti  Ti606  1  0.758087  0.306014  0.680350  1
  Ti  Ti607  1  0.866337  0.469320  0.703954  1
  Ti  Ti608  1  0.865550  0.968735  0.699379  1
  Ti  Ti609  1  0.391721  0.316419  0.659873  1
  Ti  Ti610  1  0.426566  0.974305  0.689640  1
  Ti  Ti611  1  0.535121  0.135198  0.703587  1
  Ti  Ti612  1  0.958306  0.975729  0.646173  1
  Ti  Ti613  1  0.560626  0.801983  0.669107  1
  Ti  Ti614  1  0.129244  0.796834  0.656481  1
  Ti  Ti615  1  0.237362  0.465017  0.678850  1
  Ti  Ti616  1  0.350796  0.646291  0.696369  1
  Ti  Ti617  1  0.779962  0.466214  0.656235  1
  Ti  Ti618  1  0.896564  0.635083  0.671457  1
  Ti  Ti619  1  0.021797  0.810545  0.697296  1
  Ti  Ti620  1  0.870176  0.138614  0.674386  1
  Ti  Ti621  1  0.004648  0.310859  0.696109  1
  Ti  Ti622  1  0.464167  0.633945  0.655959  1
  Ti  Ti623  1  0.475417  0.129738  0.654577  1
  Ti  Ti624  1  0.567001  0.301262  0.669648  1
  Ti  Ti625  1  0.674676  0.479634  0.695799  1
  Ti  Ti626  1  0.672615  0.978451  0.692102  1
  Ti  Ti627  1  0.120350  0.300018  0.655778  1
  Ti  Ti628  1  0.227909  0.968099  0.672346  1
  Ti  Ti629  1  0.347039  0.144182  0.691936  1
  Ti  Ti630  1  0.788837  0.962748  0.652986  1
  Ti  Ti631  1  0.664873  0.767570  0.655299  1
  Ti  Ti632  1  0.576078  0.760137  0.697624  1
  Ti  Ti633  1  0.325921  0.434324  0.659026  1
  Ti  Ti634  1  0.423552  0.599975  0.695334  1
  Ti  Ti635  1  0.251006  0.419079  0.701369  1
  Ti  Ti636  1  0.996850  0.602971  0.656084  1
  Ti  Ti637  1  0.080710  0.766292  0.700118  1
  Ti  Ti638  1  0.990195  0.112220  0.656567  1
  Ti  Ti639  1  0.090393  0.270581  0.699080  1
  Ti  Ti640  1  0.913206  0.591701  0.698440  1
  Ti  Ti641  1  0.915434  0.097993  0.702363  1
  Ti  Ti642  1  0.669570  0.268487  0.652904  1
  Ti  Ti643  1  0.746634  0.434661  0.698341  1
  Ti  Ti644  1  0.740069  0.934475  0.699930  1
  Ti  Ti645  1  0.577318  0.260563  0.697707  1
  Ti  Ti646  1  0.338613  0.941363  0.655616  1
  Ti  Ti647  1  0.410172  0.100179  0.699196  1
  Ti  Ti648  1  0.257801  0.931840  0.703458  1
  Nb  Nb649  1  0.262193  0.788666  0.356038  1
  Nb  Nb650  1  0.824439  0.790437  0.319372  1
  Nb  Nb651  1  0.948837  0.458296  0.348688  1
  Nb  Nb652  1  0.691795  0.634181  0.303406  1
  Nb  Nb653  1  0.487426  0.459195  0.321301  1
  Nb  Nb654  1  0.623511  0.625887  0.345789  1
  Nb  Nb655  1  0.334608  0.799257  0.314082  1
  Nb  Nb656  1  0.613696  0.121860  0.350551  1
  Nb  Nb657  1  0.356343  0.300563  0.304655  1
  Nb  Nb658  1  0.149808  0.625040  0.324880  1
  Nb  Nb659  1  0.150919  0.125858  0.325414  1
  Nb  Nb660  1  0.283795  0.291294  0.346922  1
  Nb  Nb661  1  0.012775  0.466297  0.305135  1
  Nb  Nb662  1  0.009380  0.966276  0.308197  1
  Nb  Nb663  1  0.816107  0.294286  0.325181  1
  Nb  Nb664  1  0.939260  0.957203  0.350806  1
  Nb  Nb665  1  0.683422  0.136067  0.309448  1
  Nb  Nb666  1  0.485366  0.956078  0.315887  1
  Nb  Nb667  1  0.164401  0.878271  0.301284  1
  Nb  Nb668  1  0.108966  0.878573  0.346803  1
  Nb  Nb669  1  0.832391  0.546079  0.301149  1
  Nb  Nb670  1  0.972324  0.713288  0.332617  1
  Nb  Nb671  1  0.776319  0.545414  0.346433  1
  Nb  Nb672  1  0.484686  0.712009  0.301744  1
  Nb  Nb673  1  0.653706  0.879744  0.327983  1
  Nb  Nb674  1  0.496143  0.212826  0.302395  1
  Nb  Nb675  1  0.659665  0.382312  0.329500  1
  Nb  Nb676  1  0.423745  0.713362  0.346348  1
  Nb  Nb677  1  0.428486  0.212373  0.345749  1
  Nb  Nb678  1  0.167512  0.379334  0.302475  1
  Nb  Nb679  1  0.319136  0.548022  0.326848  1
  Nb  Nb680  1  0.288186  0.045327  0.338173  1
  Nb  Nb681  1  0.115119  0.379786  0.348286  1
  Nb  Nb682  1  0.814329  0.045026  0.298286  1
  Nb  Nb683  1  0.968826  0.213686  0.340920  1
  Nb  Nb684  1  0.754554  0.045354  0.342246  1
  Nb  Nb685  1  0.652611  0.789629  0.399298  1
  Nb  Nb686  1  0.153641  0.790315  0.393943  1
  Nb  Nb687  1  0.321171  0.456511  0.402707  1
  Nb  Nb688  1  0.097868  0.626015  0.371374  1
  Nb  Nb689  1  0.846254  0.454879  0.386057  1
  Nb  Nb690  1  0.991440  0.620074  0.406466  1
  Nb  Nb691  1  0.767727  0.796569  0.363694  1
  Nb  Nb692  1  0.979223  0.126823  0.404478  1
  Nb  Nb693  1  0.756886  0.298258  0.369873  1
  Nb  Nb694  1  0.520504  0.621886  0.382437  1
  Nb  Nb695  1  0.505792  0.119567  0.385756  1
  Nb  Nb696  1  0.648149  0.292121  0.405808  1
  Nb  Nb697  1  0.430711  0.463466  0.366701  1
  Nb  Nb698  1  0.434281  0.960796  0.361298  1
  Nb  Nb699  1  0.178550  0.284385  0.382589  1
  Nb  Nb700  1  0.331811  0.957713  0.398872  1
  Nb  Nb701  1  0.084940  0.131328  0.368733  1
  Nb  Nb702  1  0.836755  0.955385  0.388486  1
  Nb  Nb703  1  0.577213  0.869590  0.368853  1
  Nb  Nb704  1  0.473418  0.876763  0.401823  1
  Nb  Nb705  1  0.241356  0.538075  0.367065  1
  Nb  Nb706  1  0.341580  0.715291  0.385044  1
  Nb  Nb707  1  0.141535  0.545749  0.400996  1
  Nb  Nb708  1  0.894942  0.704974  0.374093  1
  Nb  Nb709  1  0.027143  0.881057  0.385379  1
  Nb  Nb710  1  0.875118  0.208127  0.382930  1
  Nb  Nb711  1  0.031455  0.378923  0.386989  1
  Nb  Nb712  1  0.784910  0.709567  0.406092  1
  Nb  Nb713  1  0.760859  0.208047  0.417007  1
  Nb  Nb714  1  0.585368  0.374871  0.371110  1
  Nb  Nb715  1  0.684760  0.547201  0.383009  1
  Nb  Nb716  1  0.661822  0.049224  0.378275  1
  Nb  Nb717  1  0.470975  0.376466  0.402201  1
  Nb  Nb718  1  0.204008  0.039691  0.379688  1
  Nb  Nb719  1  0.335467  0.214747  0.382428  1
  Nb  Nb720  1  0.085546  0.040366  0.413778  1
  Nb  Nb721  1  0.896343  0.784560  0.486969  1
  Nb  Nb722  1  0.491911  0.785074  0.451963  1
  Nb  Nb723  1  0.543318  0.448151  0.493645  1
  Nb  Nb724  1  0.413617  0.631159  0.414093  1
  Nb  Nb725  1  0.151174  0.451845  0.455539  1
  Nb  Nb726  1  0.170393  0.614116  0.511526  1
  Nb  Nb727  1  0.046800  0.794315  0.431266  1
  Nb  Nb728  1  0.221334  0.120578  0.494939  1
  Nb  Nb729  1  0.079314  0.294522  0.415997  1
  Nb  Nb730  1  0.817565  0.618525  0.452843  1
  Nb  Nb731  1  0.825472  0.117597  0.456654  1
  Nb  Nb732  1  0.830710  0.285637  0.513283  1
  Nb  Nb733  1  0.743000  0.461981  0.420281  1
  Nb  Nb734  1  0.726929  0.959297  0.423603  1
  Nb  Nb735  1  0.487559  0.285474  0.452368  1
  Nb  Nb736  1  0.559023  0.952744  0.492645  1
  Nb  Nb737  1  0.401423  0.126199  0.420069  1
  Nb  Nb738  1  0.154946  0.951448  0.456031  1
  Nb  Nb739  1  0.730460  0.870357  0.474284  1
  Nb  Nb740  1  0.606674  0.865722  0.506971  1
  Nb  Nb741  1  0.412416  0.539454  0.471946  1
  Nb  Nb742  1  0.509865  0.697675  0.485008  1
  Nb  Nb743  1  0.285426  0.535689  0.501897  1
  Nb  Nb744  1  0.057045  0.704781  0.474383  1
  Nb  Nb745  1  0.180579  0.867923  0.484966  1
  Nb  Nb746  1  0.089290  0.205554  0.476824  1
  Nb  Nb747  1  0.164542  0.366026  0.490115  1
  Nb  Nb748  1  0.941184  0.699075  0.509340  1
  Nb  Nb749  1  0.967789  0.202461  0.507197  1
  Nb  Nb750  1  0.742668  0.372362  0.469833  1
  Nb  Nb751  1  0.858555  0.533055  0.481186  1
  Nb  Nb752  1  0.938720  0.041090  0.454847  1
  Nb  Nb753  1  0.620315  0.369281  0.501842  1
  Nb  Nb754  1  0.430584  0.037911  0.474225  1
  Nb  Nb755  1  0.598866  0.205409  0.459944  1
  Nb  Nb756  1  0.305966  0.034663  0.506537  1
  Nb  Nb757  1  0.264810  0.777381  0.525458  1
  Nb  Nb758  1  0.791715  0.776943  0.523013  1
  Nb  Nb759  1  0.925732  0.447084  0.528360  1
  Nb  Nb760  1  0.695981  0.613098  0.490641  1
  Nb  Nb761  1  0.445281  0.439734  0.527302  1
  Nb  Nb762  1  0.571689  0.607066  0.521662  1
  Nb  Nb763  1  0.386280  0.783754  0.490408  1
  Nb  Nb764  1  0.589017  0.107632  0.523798  1
  Nb  Nb765  1  0.363625  0.280729  0.492674  1
  Nb  Nb766  1  0.062036  0.608735  0.543926  1
  Nb  Nb767  1  0.120418  0.112071  0.528027  1
  Nb  Nb768  1  0.236854  0.274598  0.522915  1
  Nb  Nb769  1  0.046961  0.451253  0.495697  1
  Nb  Nb770  1  0.048769  0.945786  0.494648  1
  Nb  Nb771  1  0.721105  0.273462  0.544306  1
  Nb  Nb772  1  0.927577  0.944254  0.527293  1
  Nb  Nb773  1  0.718182  0.111540  0.494066  1
  Nb  Nb774  1  0.456671  0.943012  0.525287  1
  Nb  Nb775  1  0.078055  0.861406  0.522052  1
  Nb  Nb776  1  0.939595  0.853485  0.573237  1
  Nb  Nb777  1  0.754501  0.527638  0.516957  1
  Nb  Nb778  1  0.837043  0.693591  0.550078  1
  Nb  Nb779  1  0.611141  0.519730  0.571840  1
  Nb  Nb780  1  0.400003  0.689494  0.520087  1
  Nb  Nb781  1  0.502682  0.862247  0.546847  1
  Nb  Nb782  1  0.497088  0.196035  0.492894  1
  Nb  Nb783  1  0.516526  0.363421  0.537691  1
  Nb  Nb784  1  0.282689  0.687486  0.568782  1
  Nb  Nb785  1  0.268610  0.186740  0.580874  1
  Nb  Nb786  1  0.054115  0.357449  0.527168  1
  Nb  Nb787  1  0.188471  0.527057  0.538828  1
  Nb  Nb788  1  0.186893  0.029057  0.543991  1
  Nb  Nb789  1  0.945403  0.354449  0.569814  1
  Nb  Nb790  1  0.830230  0.032223  0.486823  1
  Nb  Nb791  1  0.838838  0.191329  0.552072  1
  Nb  Nb792  1  0.584810  0.015627  0.582847  1
  Nb  Nb793  1  0.448816  0.773241  0.619161  1
  Nb  Nb794  1  0.985787  0.765283  0.615930  1
  Nb  Nb795  1  0.095294  0.440540  0.632211  1
  Nb  Nb796  1  0.906988  0.602795  0.586719  1
  Nb  Nb797  1  0.661666  0.432499  0.616837  1
  Nb  Nb798  1  0.790922  0.609373  0.618658  1
  Nb  Nb799  1  0.564704  0.770849  0.587758  1
  Nb  Nb800  1  0.758741  0.107723  0.629551  1
  Nb  Nb801  1  0.574848  0.273738  0.582859  1
  Nb  Nb802  1  0.326640  0.595761  0.618917  1
  Nb  Nb803  1  0.313742  0.098111  0.618963  1
  Nb  Nb804  1  0.458765  0.273246  0.616985  1
  Nb  Nb805  1  0.196307  0.437164  0.597749  1
  Nb  Nb806  1  0.190217  0.938013  0.598185  1
  Nb  Nb807  1  0.991464  0.264859  0.618939  1
  Nb  Nb808  1  0.088516  0.938607  0.632889  1
  Nb  Nb809  1  0.859962  0.098902  0.596938  1
  Nb  Nb810  1  0.653479  0.931281  0.618364  1
  Nb  Nb811  1  0.349161  0.853741  0.601961  1
  Nb  Nb812  1  0.239954  0.846715  0.637600  1
  Nb  Nb813  1  0.993044  0.521772  0.606515  1
  Nb  Nb814  1  0.174655  0.692356  0.608773  1
  Nb  Nb815  1  0.889166  0.519555  0.643081  1
  Nb  Nb816  1  0.681039  0.684676  0.602306  1
  Nb  Nb817  1  0.831535  0.857247  0.610176  1
  Nb  Nb818  1  0.670986  0.183870  0.600299  1
  Nb  Nb819  1  0.832901  0.358136  0.610874  1
  Nb  Nb820  1  0.570003  0.682785  0.637821  1
  Nb  Nb821  1  0.561061  0.181287  0.635542  1
  Nb  Nb822  1  0.336431  0.352171  0.606784  1
  Nb  Nb823  1  0.504323  0.523960  0.607392  1
  Nb  Nb824  1  0.478309  0.023713  0.616151  1
  Nb  Nb825  1  0.233395  0.347628  0.643322  1
  Nb  Nb826  1  0.009097  0.026177  0.593534  1
  Nb  Nb827  1  0.162530  0.193029  0.614148  1
  Nb  Nb828  1  0.900795  0.021088  0.628190  1
  Nb  Nb829  1  0.835265  0.767241  0.698110  1
  Nb  Nb830  1  0.358445  0.767619  0.660011  1
  Nb  Nb831  1  0.512651  0.435182  0.697053  1
  Nb  Nb832  1  0.244677  0.602212  0.656625  1
  Nb  Nb833  1  0.020993  0.433185  0.674304  1
  Nb  Nb834  1  0.173841  0.602532  0.699576  1
  Nb  Nb835  1  0.904350  0.768031  0.654744  1
  Nb  Nb836  1  0.164431  0.099281  0.700553  1
  Nb  Nb837  1  0.905152  0.267101  0.657147  1
  Nb  Nb838  1  0.698758  0.603536  0.659255  1
  Nb  Nb839  1  0.679857  0.099054  0.670163  1
  Nb  Nb840  1  0.827632  0.264120  0.699307  1
  Nb  Nb841  1  0.561579  0.433988  0.651527  1
  Nb  Nb842  1  0.556588  0.933005  0.653680  1
  Nb  Nb843  1  0.365583  0.267382  0.657793  1
  Nb  Nb844  1  0.506057  0.931908  0.699446  1
  Nb  Nb845  1  0.225434  0.100807  0.655655  1
  Nb  Nb846  1  0.017649  0.931621  0.674800  1
  Nb  Nb847  1  0.730417  0.856882  0.648402  1
  Nb  Nb848  1  0.659016  0.845651  0.691373  1
  Nb  Nb849  1  0.395635  0.525136  0.644292  1
  Nb  Nb850  1  0.513221  0.691207  0.681531  1
  Nb  Nb851  1  0.328637  0.514024  0.686436  1
  Nb  Nb852  1  0.067223  0.690247  0.646804  1
  Nb  Nb853  1  0.175819  0.855443  0.679801  1
  Nb  Nb854  1  0.054214  0.188825  0.650022  1
  Nb  Nb855  1  0.171884  0.354241  0.686510  1
  Nb  Nb856  1  0.998727  0.680748  0.689049  1
  Nb  Nb857  1  0.992182  0.178469  0.693354  1
  Nb  Nb858  1  0.729917  0.356904  0.647401  1
  Nb  Nb859  1  0.835779  0.525633  0.687046  1
  Nb  Nb860  1  0.845331  0.022014  0.673789  1
  Nb  Nb861  1  0.662470  0.345686  0.690401  1
  Nb  Nb862  1  0.375681  0.019990  0.653270  1
  Nb  Nb863  1  0.512157  0.189925  0.680309  1
  Nb  Nb864  1  0.309982  0.010828  0.695949  1
