# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.44614983
_cell_length_b   33.31015984
_cell_length_c   32.10517592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.83534660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti648 Nb216'
_cell_volume   38917.1140553
_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  0.697492  0.721765  0.557184  1
  Ti  Ti2  1  0.197401  0.722217  0.558098  1
  Ti  Ti3  1  0.408630  0.697973  0.563407  1
  Ti  Ti4  1  0.530848  0.388790  0.558246  1
  Ti  Ti5  1  0.548229  0.715653  0.557707  1
  Ti  Ti6  1  0.741803  0.364476  0.564272  1
  Ti  Ti7  1  0.908125  0.698257  0.563198  1
  Ti  Ti8  1  0.030648  0.388963  0.558022  1
  Ti  Ti9  1  0.047436  0.716190  0.556727  1
  Ti  Ti10  1  0.241381  0.364702  0.564378  1
  Ti  Ti11  1  0.364481  0.055332  0.558207  1
  Ti  Ti12  1  0.379916  0.383028  0.556094  1
  Ti  Ti13  1  0.575555  0.030654  0.565014  1
  Ti  Ti14  1  0.712759  0.049509  0.555920  1
  Ti  Ti15  1  0.863985  0.055510  0.557556  1
  Ti  Ti16  1  0.879684  0.383220  0.556068  1
  Ti  Ti17  1  0.074659  0.031548  0.564801  1
  Ti  Ti18  1  0.214488  0.049296  0.557221  1
  Ti  Ti19  1  0.661448  0.705352  0.618298  1
  Ti  Ti20  1  0.161125  0.705421  0.618958  1
  Ti  Ti21  1  0.345572  0.727488  0.566717  1
  Ti  Ti22  1  0.494037  0.371513  0.618680  1
  Ti  Ti23  1  0.485253  0.700428  0.585013  1
  Ti  Ti24  1  0.679076  0.394436  0.567269  1
  Ti  Ti25  1  0.845049  0.727291  0.567215  1
  Ti  Ti26  1  -0.006423  0.371227  0.618431  1
  Ti  Ti27  1  -0.015411  0.700507  0.584474  1
  Ti  Ti28  1  0.178591  0.394456  0.566613  1
  Ti  Ti29  1  0.328167  0.038689  0.618613  1
  Ti  Ti30  1  0.317476  0.366850  0.584954  1
  Ti  Ti31  1  0.512576  0.060962  0.567871  1
  Ti  Ti32  1  0.650130  0.032554  0.585353  1
  Ti  Ti33  1  0.827322  0.038355  0.618290  1
  Ti  Ti34  1  0.817870  0.366982  0.585313  1
  Ti  Ti35  1  0.011744  0.060549  0.566662  1
  Ti  Ti36  1  0.151779  0.033888  0.585463  1
  Ti  Ti37  1  0.623091  0.685697  0.540959  1
  Ti  Ti38  1  0.122244  0.685557  0.541738  1
  Ti  Ti39  1  0.267059  0.677842  0.559533  1
  Ti  Ti40  1  0.454396  0.351755  0.541774  1
  Ti  Ti41  1  0.444441  0.636646  0.547208  1
  Ti  Ti42  1  0.600236  0.344356  0.559687  1
  Ti  Ti43  1  0.767145  0.677629  0.559783  1
  Ti  Ti44  1  -0.046112  0.351795  0.541878  1
  Ti  Ti45  1  -0.055677  0.637300  0.547220  1
  Ti  Ti46  1  0.100037  0.344796  0.559034  1
  Ti  Ti47  1  0.289779  0.019254  0.541206  1
  Ti  Ti48  1  0.277273  0.304033  0.547002  1
  Ti  Ti49  1  0.434231  0.011281  0.560661  1
  Ti  Ti50  1  0.610908  -0.029996  0.547709  1
  Ti  Ti51  1  0.787577  0.018525  0.541441  1
  Ti  Ti52  1  0.777403  0.303720  0.547293  1
  Ti  Ti53  1  -0.066325  0.011201  0.559118  1
  Ti  Ti54  1  0.111166  -0.028454  0.546859  1
  Ti  Ti55  1  0.613709  0.559959  0.572295  1
  Ti  Ti56  1  0.113577  0.560452  0.572293  1
  Ti  Ti57  1  0.326386  0.528044  0.561007  1
  Ti  Ti58  1  0.446763  0.226655  0.572739  1
  Ti  Ti59  1  0.458901  0.555011  0.549123  1
  Ti  Ti60  1  0.660054  0.194405  0.561491  1
  Ti  Ti61  1  0.826578  0.527986  0.560776  1
  Ti  Ti62  1  -0.053188  0.227171  0.572351  1
  Ti  Ti63  1  -0.041260  0.555627  0.548579  1
  Ti  Ti64  1  0.159409  0.194375  0.559982  1
  Ti  Ti65  1  0.280395  0.893564  0.572074  1
  Ti  Ti66  1  0.292601  0.221725  0.548864  1
  Ti  Ti67  1  0.493551  0.861028  0.561467  1
  Ti  Ti68  1  0.625744  0.888006  0.547511  1
  Ti  Ti69  1  0.780227  0.893408  0.571852  1
  Ti  Ti70  1  0.791938  0.221782  0.548476  1
  Ti  Ti71  1  -0.007307  0.861209  0.560481  1
  Ti  Ti72  1  0.125783  0.888980  0.548505  1
  Ti  Ti73  1  0.764936  0.561889  0.566975  1
  Ti  Ti74  1  0.264842  0.561945  0.567263  1
  Ti  Ti75  1  0.400346  0.531265  0.578821  1
  Ti  Ti76  1  0.598193  0.228291  0.567494  1
  Ti  Ti77  1  0.562669  0.529870  0.619884  1
  Ti  Ti78  1  0.733945  0.197894  0.578963  1
  Ti  Ti79  1  0.901005  0.531313  0.578976  1
  Ti  Ti80  1  0.097906  0.228323  0.566855  1
  Ti  Ti81  1  0.062620  0.529978  0.619897  1
  Ti  Ti82  1  0.233418  0.197924  0.577054  1
  Ti  Ti83  1  0.432064  0.895384  0.567558  1
  Ti  Ti84  1  0.396389  0.196482  0.621286  1
  Ti  Ti85  1  0.567414  0.864619  0.577949  1
  Ti  Ti86  1  0.729648  0.862737  0.619325  1
  Ti  Ti87  1  -0.068775  0.895301  0.566985  1
  Ti  Ti88  1  0.896342  0.196504  0.620082  1
  Ti  Ti89  1  0.066838  0.864428  0.577053  1
  Ti  Ti90  1  0.229891  0.863461  0.620576  1
  Ti  Ti91  1  0.682337  0.509795  0.561203  1
  Ti  Ti92  1  0.182014  0.509967  0.561216  1
  Ti  Ti93  1  0.358892  0.462653  0.549912  1
  Ti  Ti94  1  0.515654  0.176458  0.562100  1
  Ti  Ti95  1  0.522802  0.513355  0.553416  1
  Ti  Ti96  1  0.692343  0.129305  0.549769  1
  Ti  Ti97  1  0.859026  0.462705  0.550370  1
  Ti  Ti98  1  0.015503  0.176441  0.561398  1
  Ti  Ti99  1  0.022526  0.513690  0.553592  1
  Ti  Ti100  1  0.192243  0.128534  0.550530  1
  Ti  Ti101  1  0.348852  0.842837  0.560744  1
  Ti  Ti102  1  0.356728  0.180326  0.554664  1
  Ti  Ti103  1  0.525684  0.795191  0.550570  1
  Ti  Ti104  1  0.689848  0.846262  0.552976  1
  Ti  Ti105  1  0.848612  0.843333  0.561178  1
  Ti  Ti106  1  0.856148  0.180257  0.553406  1
  Ti  Ti107  1  0.025532  0.795617  0.549885  1
  Ti  Ti108  1  0.189644  0.846984  0.553949  1
  Ti  Ti109  1  0.728659  0.694776  0.629933  1
  Ti  Ti110  1  0.228756  0.694946  0.629922  1
  Ti  Ti111  1  0.373223  0.706820  0.640071  1
  Ti  Ti112  1  0.561825  0.361356  0.630134  1
  Ti  Ti113  1  0.552867  0.694856  0.638047  1
  Ti  Ti114  1  0.706098  0.373584  0.640488  1
  Ti  Ti115  1  0.872777  0.707374  0.639907  1
  Ti  Ti116  1  0.061621  0.361844  0.629528  1
  Ti  Ti117  1  0.053864  0.695049  0.637051  1
  Ti  Ti118  1  0.205777  0.373869  0.640319  1
  Ti  Ti119  1  0.395633  0.027781  0.630667  1
  Ti  Ti120  1  0.387451  0.361735  0.636247  1
  Ti  Ti121  1  0.539650  0.040644  0.640716  1
  Ti  Ti122  1  0.721141  0.028112  0.635837  1
  Ti  Ti123  1  0.895062  0.028527  0.629330  1
  Ti  Ti124  1  0.887783  0.361335  0.635671  1
  Ti  Ti125  1  0.039428  0.040086  0.640726  1
  Ti  Ti126  1  0.220028  0.028153  0.637144  1
  Ti  Ti127  1  0.620504  0.674228  0.672120  1
  Ti  Ti128  1  0.120874  0.674474  0.673735  1
  Ti  Ti129  1  0.305305  0.694752  0.626130  1
  Ti  Ti130  1  0.454048  0.340756  0.674071  1
  Ti  Ti131  1  0.436038  0.665385  0.626920  1
  Ti  Ti132  1  0.638499  0.361233  0.625996  1
  Ti  Ti133  1  0.805102  0.694140  0.626697  1
  Ti  Ti134  1  -0.046227  0.340050  0.673439  1
  Ti  Ti135  1  -0.064785  0.665756  0.627409  1
  Ti  Ti136  1  0.138134  0.361371  0.625562  1
  Ti  Ti137  1  0.286838  0.007392  0.671682  1
  Ti  Ti138  1  0.268259  0.331662  0.628175  1
  Ti  Ti139  1  0.472374  0.027724  0.628022  1
  Ti  Ti140  1  0.601481  -0.001755  0.631019  1
  Ti  Ti141  1  0.787602  0.007492  0.673877  1
  Ti  Ti142  1  0.768875  0.332108  0.628268  1
  Ti  Ti143  1  -0.028264  0.028031  0.625796  1
  Ti  Ti144  1  0.102481  -0.001468  0.627778  1
  Ti  Ti145  1  0.602661  0.656621  0.600307  1
  Ti  Ti146  1  0.103256  0.655845  0.601225  1
  Ti  Ti147  1  0.268536  0.626101  0.619711  1
  Ti  Ti148  1  0.436688  0.321790  0.601578  1
  Ti  Ti149  1  0.436642  0.588485  0.617507  1
  Ti  Ti150  1  0.601877  0.292366  0.619677  1
  Ti  Ti151  1  0.768586  0.625649  0.619756  1
  Ti  Ti152  1  -0.063354  0.320371  0.600986  1
  Ti  Ti153  1  -0.063048  0.589009  0.617390  1
  Ti  Ti154  1  0.101637  0.292715  0.619168  1
  Ti  Ti155  1  0.269747  -0.010916  0.599819  1
  Ti  Ti156  1  0.269937  0.255061  0.616157  1
  Ti  Ti157  1  0.435623  -0.040706  0.620290  1
  Ti  Ti158  1  0.604021  0.922049  0.616117  1
  Ti  Ti159  1  0.770115  -0.011787  0.601088  1
  Ti  Ti160  1  0.770075  0.255434  0.617090  1
  Ti  Ti161  1  -0.064958  -0.040510  0.619166  1
  Ti  Ti162  1  0.103223  0.922244  0.616150  1
  Ti  Ti163  1  0.644234  0.523823  0.632008  1
  Ti  Ti164  1  0.143626  0.524189  0.632230  1
  Ti  Ti165  1  0.287823  0.541513  0.637349  1
  Ti  Ti166  1  0.477153  0.190641  0.632763  1
  Ti  Ti167  1  0.481507  0.523126  0.626660  1
  Ti  Ti168  1  0.621781  0.207671  0.637540  1
  Ti  Ti169  1  0.788123  0.541411  0.637268  1
  Ti  Ti170  1  -0.022908  0.190525  0.632008  1
  Ti  Ti171  1  -0.018825  0.523222  0.626041  1
  Ti  Ti172  1  0.121334  0.208069  0.636907  1
  Ti  Ti173  1  0.310824  0.857072  0.631553  1
  Ti  Ti174  1  0.315341  0.189363  0.627013  1
  Ti  Ti175  1  0.454832  0.874886  0.637593  1
  Ti  Ti176  1  0.648329  0.856278  0.624832  1
  Ti  Ti177  1  0.810109  0.857386  0.632179  1
  Ti  Ti178  1  0.814848  0.189707  0.625897  1
  Ti  Ti179  1  -0.045511  0.874758  0.636971  1
  Ti  Ti180  1  0.148009  0.856844  0.626396  1
  Ti  Ti181  1  0.720417  0.527406  0.625768  1
  Ti  Ti182  1  0.219968  0.527222  0.625709  1
  Ti  Ti183  1  0.354308  0.503469  0.628043  1
  Ti  Ti184  1  0.553833  0.193965  0.626519  1
  Ti  Ti185  1  0.530779  0.500630  0.679772  1
  Ti  Ti186  1  0.688279  0.169766  0.628553  1
  Ti  Ti187  1  0.854769  0.503698  0.627851  1
  Ti  Ti188  1  0.053583  0.193666  0.625507  1
  Ti  Ti189  1  0.030101  0.500181  0.679294  1
  Ti  Ti190  1  0.187673  0.170597  0.627360  1
  Ti  Ti191  1  0.386457  0.860180  0.625172  1
  Ti  Ti192  1  0.364191  0.166903  0.680682  1
  Ti  Ti193  1  0.521762  0.837038  0.628291  1
  Ti  Ti194  1  0.696862  0.833663  0.678653  1
  Ti  Ti195  1  0.886638  0.860643  0.625754  1
  Ti  Ti196  1  0.864225  0.167113  0.679453  1
  Ti  Ti197  1  0.021023  0.837042  0.627542  1
  Ti  Ti198  1  0.197624  0.834388  0.680068  1
  Ti  Ti199  1  0.685302  0.455750  0.619798  1
  Ti  Ti200  1  0.185044  0.455678  0.619553  1
  Ti  Ti201  1  0.351071  0.426160  0.622995  1
  Ti  Ti202  1  0.518657  0.122445  0.620488  1
  Ti  Ti203  1  0.521091  0.459343  0.607976  1
  Ti  Ti204  1  0.684402  0.092474  0.622650  1
  Ti  Ti205  1  0.851096  0.426283  0.624009  1
  Ti  Ti206  1  0.018447  0.121511  0.619505  1
  Ti  Ti207  1  0.020921  0.459166  0.607945  1
  Ti  Ti208  1  0.184472  0.093169  0.624507  1
  Ti  Ti209  1  0.351886  0.788188  0.619401  1
  Ti  Ti210  1  0.354621  0.125430  0.608700  1
  Ti  Ti211  1  0.517760  0.759632  0.624326  1
  Ti  Ti212  1  0.687920  0.791582  0.607641  1
  Ti  Ti213  1  0.851791  0.789300  0.619522  1
  Ti  Ti214  1  0.854375  0.125873  0.607664  1
  Ti  Ti215  1  0.017717  0.759584  0.623370  1
  Ti  Ti216  1  0.187788  0.792931  0.608483  1
  Ti  Ti217  1  0.691782  0.685017  0.699491  1
  Ti  Ti218  1  0.192207  0.685371  0.699189  1
  Ti  Ti219  1  0.336655  0.689329  0.705532  1
  Ti  Ti220  1  0.525339  0.351782  0.699528  1
  Ti  Ti221  1  0.491544  0.697457  0.669945  1
  Ti  Ti222  1  0.669656  0.356221  0.705646  1
  Ti  Ti223  1  0.836855  0.689378  0.705093  1
  Ti  Ti224  1  0.025280  0.351662  0.698992  1
  Ti  Ti225  1  -0.007623  0.696553  0.668427  1
  Ti  Ti226  1  0.169150  0.356372  0.705018  1
  Ti  Ti227  1  0.358340  0.018371  0.699358  1
  Ti  Ti228  1  0.326161  0.363309  0.668376  1
  Ti  Ti229  1  0.504803  0.022349  0.706890  1
  Ti  Ti230  1  0.659999  0.029731  0.667862  1
  Ti  Ti231  1  0.858761  0.018874  0.698673  1
  Ti  Ti232  1  0.826919  0.363686  0.668995  1
  Ti  Ti233  1  0.002518  0.022872  0.705796  1
  Ti  Ti234  1  0.158991  0.030591  0.669676  1
  Ti  Ti235  1  0.571591  0.653102  0.709840  1
  Ti  Ti236  1  0.071134  0.653273  0.709227  1
  Ti  Ti237  1  0.270308  0.666551  0.690728  1
  Ti  Ti238  1  0.403518  0.320196  0.708831  1
  Ti  Ti239  1  0.428006  0.668152  0.699086  1
  Ti  Ti240  1  0.603858  0.333111  0.690331  1
  Ti  Ti241  1  0.769693  0.666391  0.691041  1
  Ti  Ti242  1  0.903807  0.319874  0.708986  1
  Ti  Ti243  1  -0.070074  0.668197  0.700207  1
  Ti  Ti244  1  0.103010  0.332872  0.690181  1
  Ti  Ti245  1  0.237783  -0.013324  0.709538  1
  Ti  Ti246  1  0.264092  0.335426  0.701103  1
  Ti  Ti247  1  0.437085  -0.000321  0.691878  1
  Ti  Ti248  1  0.600582  0.001195  0.705931  1
  Ti  Ti249  1  0.737464  -0.013476  0.708288  1
  Ti  Ti250  1  0.764443  0.334910  0.700886  1
  Ti  Ti251  1  -0.063402  -0.000160  0.690000  1
  Ti  Ti252  1  0.096052  0.002207  0.700235  1
  Ti  Ti253  1  0.597969  0.591659  0.652122  1
  Ti  Ti254  1  0.097994  0.591369  0.652393  1
  Ti  Ti255  1  0.254007  0.593534  0.688792  1
  Ti  Ti256  1  0.431287  0.257635  0.652927  1
  Ti  Ti257  1  0.421056  0.599080  0.703373  1
  Ti  Ti258  1  0.587518  0.259706  0.688598  1
  Ti  Ti259  1  0.754206  0.593475  0.688951  1
  Ti  Ti260  1  -0.068834  0.257081  0.653114  1
  Ti  Ti261  1  0.921371  0.599601  0.703263  1
  Ti  Ti262  1  0.087596  0.259694  0.688403  1
  Ti  Ti263  1  0.264637  0.924861  0.652235  1
  Ti  Ti264  1  0.254230  0.267158  0.701299  1
  Ti  Ti265  1  0.420435  0.927016  0.688761  1
  Ti  Ti266  1  0.587672  0.933785  0.701459  1
  Ti  Ti267  1  0.764673  0.924012  0.652227  1
  Ti  Ti268  1  0.754513  0.266361  0.702664  1
  Ti  Ti269  1  0.920564  0.926444  0.688157  1
  Ti  Ti270  1  0.087297  0.933674  0.701478  1
  Ti  Ti271  1  0.601486  0.525220  0.692696  1
  Ti  Ti272  1  0.101194  0.524990  0.693196  1
  Ti  Ti273  1  0.256067  0.522869  0.705623  1
  Ti  Ti274  1  0.435939  0.190606  0.694764  1
  Ti  Ti275  1  0.417665  0.531818  0.663291  1
  Ti  Ti276  1  0.590074  0.189193  0.706087  1
  Ti  Ti277  1  0.756120  0.522938  0.705904  1
  Ti  Ti278  1  -0.064220  0.190596  0.694279  1
  Ti  Ti279  1  0.918157  0.531867  0.663523  1
  Ti  Ti280  1  0.089876  0.189502  0.705894  1
  Ti  Ti281  1  0.268648  0.857966  0.693055  1
  Ti  Ti282  1  0.250849  0.198718  0.661767  1
  Ti  Ti283  1  0.421834  0.856422  0.705250  1
  Ti  Ti284  1  0.585181  0.865813  0.662040  1
  Ti  Ti285  1  0.767992  0.857703  0.693679  1
  Ti  Ti286  1  0.751765  0.198581  0.663200  1
  Ti  Ti287  1  0.923090  0.856043  0.705817  1
  Ti  Ti288  1  0.084073  0.865691  0.661480  1
  Ti  Ti289  1  0.688322  0.499785  0.690359  1
  Ti  Ti290  1  0.188125  0.499793  0.690274  1
  Ti  Ti291  1  0.344380  0.496899  0.697879  1
  Ti  Ti292  1  0.521771  0.166378  0.690912  1
  Ti  Ti293  1  0.479384  0.486319  0.714461  1
  Ti  Ti294  1  0.677682  0.163495  0.698533  1
  Ti  Ti295  1  0.844144  0.496931  0.697473  1
  Ti  Ti296  1  0.021716  0.166266  0.689903  1
  Ti  Ti297  1  -0.020614  0.485153  0.715740  1
  Ti  Ti298  1  0.177881  0.163667  0.697414  1
  Ti  Ti299  1  0.354595  0.832815  0.689875  1
  Ti  Ti300  1  0.312306  0.152132  0.715083  1
  Ti  Ti301  1  0.510949  0.831224  0.697913  1
  Ti  Ti302  1  0.647007  0.818671  0.715833  1
  Ti  Ti303  1  0.854907  0.833197  0.690320  1
  Ti  Ti304  1  0.812588  0.153076  0.714306  1
  Ti  Ti305  1  0.011046  0.830005  0.697505  1
  Ti  Ti306  1  0.145846  0.819632  0.714287  1
  Ti  Ti307  1  0.671462  0.427368  0.690894  1
  Ti  Ti308  1  0.171613  0.427616  0.691089  1
  Ti  Ti309  1  0.337969  0.424511  0.708190  1
  Ti  Ti310  1  0.504276  0.093741  0.691073  1
  Ti  Ti311  1  0.511204  0.420787  0.672989  1
  Ti  Ti312  1  0.671073  0.091136  0.708051  1
  Ti  Ti313  1  0.837260  0.425300  0.710187  1
  Ti  Ti314  1  0.004850  0.093821  0.690999  1
  Ti  Ti315  1  0.011094  0.420629  0.673122  1
  Ti  Ti316  1  0.170479  0.091805  0.710598  1
  Ti  Ti317  1  0.338243  0.760157  0.690649  1
  Ti  Ti318  1  0.344178  0.087666  0.674104  1
  Ti  Ti319  1  0.503937  0.759416  0.710290  1
  Ti  Ti320  1  0.677919  0.754052  0.673600  1
  Ti  Ti321  1  0.838281  0.760841  0.690744  1
  Ti  Ti322  1  0.844382  0.088002  0.672971  1
  Ti  Ti323  1  0.004146  0.757203  0.708990  1
  Ti  Ti324  1  0.177827  0.754836  0.673651  1
  Ti  Ti325  1  0.641658  0.668886  0.751480  1
  Ti  Ti326  1  0.143543  0.669162  0.752805  1
  Ti  Ti327  1  0.305577  0.667843  0.774540  1
  Ti  Ti328  1  0.476098  0.336240  0.752615  1
  Ti  Ti329  1  0.506306  0.682685  0.744255  1
  Ti  Ti330  1  0.639299  0.334710  0.774952  1
  Ti  Ti331  1  0.805106  0.667384  0.773938  1
  Ti  Ti332  1  -0.023319  0.335222  0.752010  1
  Ti  Ti333  1  0.005772  0.681872  0.743735  1
  Ti  Ti334  1  0.138724  0.334225  0.774421  1
  Ti  Ti335  1  0.308075  0.001728  0.750936  1
  Ti  Ti336  1  0.338122  0.348871  0.743966  1
  Ti  Ti337  1  0.471926  0.001387  0.774244  1
  Ti  Ti338  1  0.672740  0.014964  0.742573  1
  Ti  Ti339  1  0.811071  0.002724  0.752796  1
  Ti  Ti340  1  0.838621  0.348843  0.744036  1
  Ti  Ti341  1  -0.027642  0.001349  0.775404  1
  Ti  Ti342  1  0.172580  0.015443  0.744494  1
  Ti  Ti343  1  0.580635  0.637369  0.786283  1
  Ti  Ti344  1  0.081334  0.637830  0.785824  1
  Ti  Ti345  1  0.237553  0.642971  0.754288  1
  Ti  Ti346  1  0.414333  0.303936  0.785108  1
  Ti  Ti347  1  0.382037  0.654224  0.756500  1
  Ti  Ti348  1  0.571364  0.309549  0.754062  1
  Ti  Ti349  1  0.736866  0.642900  0.754846  1
  Ti  Ti350  1  0.914572  0.303970  0.785522  1
  Ti  Ti351  1  0.882160  0.654469  0.756162  1
  Ti  Ti352  1  0.070751  0.309622  0.754022  1
  Ti  Ti353  1  0.247013  -0.029375  0.786044  1
  Ti  Ti354  1  0.214794  0.321512  0.755195  1
  Ti  Ti355  1  0.402952  -0.023663  0.754791  1
  Ti  Ti356  1  0.551759  -0.014064  0.758513  1
  Ti  Ti357  1  0.748917  -0.028855  0.784639  1
  Ti  Ti358  1  0.715748  0.321051  0.755528  1
  Ti  Ti359  1  0.904346  -0.023427  0.753517  1
  Ti  Ti360  1  0.048700  -0.012241  0.755690  1
  Ti  Ti361  1  0.578143  0.581363  0.737920  1
  Ti  Ti362  1  0.078172  0.581873  0.738102  1
  Ti  Ti363  1  0.240988  0.570925  0.770192  1
  Ti  Ti364  1  0.411111  0.248134  0.737334  1
  Ti  Ti365  1  0.404488  0.594712  0.786873  1
  Ti  Ti366  1  0.574374  0.237482  0.770059  1
  Ti  Ti367  1  0.741278  0.570928  0.770393  1
  Ti  Ti368  1  0.911647  0.248083  0.738060  1
  Ti  Ti369  1  0.904111  0.594603  0.786707  1
  Ti  Ti370  1  0.074713  0.237735  0.770365  1
  Ti  Ti371  1  0.243922  0.914925  0.737435  1
  Ti  Ti372  1  0.237603  0.261520  0.785448  1
  Ti  Ti373  1  0.406695  0.903966  0.769985  1
  Ti  Ti374  1  0.567787  0.921660  0.783158  1
  Ti  Ti375  1  0.744507  0.915000  0.737755  1
  Ti  Ti376  1  0.737669  0.261535  0.786719  1
  Ti  Ti377  1  0.907276  0.904768  0.769762  1
  Ti  Ti378  1  0.071037  0.928329  0.785970  1
  Ti  Ti379  1  0.563892  0.509454  0.755750  1
  Ti  Ti380  1  0.063113  0.509544  0.755308  1
  Ti  Ti381  1  0.224311  0.501088  0.772123  1
  Ti  Ti382  1  0.396625  0.176412  0.756818  1
  Ti  Ti383  1  0.416282  0.525965  0.738629  1
  Ti  Ti384  1  0.557820  0.167804  0.772349  1
  Ti  Ti385  1  0.723601  0.500701  0.772118  1
  Ti  Ti386  1  0.896527  0.176386  0.755903  1
  Ti  Ti387  1  0.916141  0.525966  0.738647  1
  Ti  Ti388  1  0.057305  0.167777  0.772008  1
  Ti  Ti389  1  0.229881  0.843196  0.755736  1
  Ti  Ti390  1  0.249317  0.193754  0.736500  1
  Ti  Ti391  1  0.390120  0.834207  0.772498  1
  Ti  Ti392  1  0.583493  0.858095  0.735719  1
  Ti  Ti393  1  0.728238  0.843578  0.755491  1
  Ti  Ti394  1  0.749103  0.192756  0.738275  1
  Ti  Ti395  1  0.891668  0.834793  0.772381  1
  Ti  Ti396  1  0.082514  0.860587  0.736202  1
  Ti  Ti397  1  0.651937  0.478839  0.752485  1
  Ti  Ti398  1  0.152609  0.478399  0.753160  1
  Ti  Ti399  1  0.304072  0.484157  0.759148  1
  Ti  Ti400  1  0.486013  0.145156  0.753121  1
  Ti  Ti401  1  0.501501  0.470430  0.785343  1
  Ti  Ti402  1  0.637690  0.150384  0.759891  1
  Ti  Ti403  1  0.803651  0.484491  0.759430  1
  Ti  Ti404  1  -0.014024  0.145372  0.752441  1
  Ti  Ti405  1  0.001676  0.470167  0.785854  1
  Ti  Ti406  1  0.138035  0.151064  0.759531  1
  Ti  Ti407  1  0.319380  0.811403  0.752576  1
  Ti  Ti408  1  0.334295  0.136608  0.785312  1
  Ti  Ti409  1  0.470113  0.818364  0.759377  1
  Ti  Ti410  1  0.667974  0.804060  0.785973  1
  Ti  Ti411  1  0.820057  0.811401  0.753372  1
  Ti  Ti412  1  0.834506  0.137081  0.785037  1
  Ti  Ti413  1  -0.028063  0.817320  0.759367  1
  Ti  Ti414  1  0.167641  0.803595  0.784908  1
  Ti  Ti415  1  0.657179  0.404467  0.771659  1
  Ti  Ti416  1  0.157247  0.403698  0.771559  1
  Ti  Ti417  1  0.317614  0.417746  0.787833  1
  Ti  Ti418  1  0.489851  0.070580  0.771680  1
  Ti  Ti419  1  0.490198  0.407215  0.748332  1
  Ti  Ti420  1  0.650855  0.082827  0.786454  1
  Ti  Ti421  1  0.817636  0.417861  0.788357  1
  Ti  Ti422  1  -0.009489  0.070833  0.771844  1
  Ti  Ti423  1  -0.009514  0.406053  0.748640  1
  Ti  Ti424  1  0.150630  0.084325  0.789157  1
  Ti  Ti425  1  0.323972  0.737163  0.771623  1
  Ti  Ti426  1  0.323057  0.072046  0.749237  1
  Ti  Ti427  1  0.484118  0.751814  0.788850  1
  Ti  Ti428  1  0.656700  0.739254  0.749066  1
  Ti  Ti429  1  0.823808  0.736315  0.770899  1
  Ti  Ti430  1  0.823605  0.073769  0.748253  1
  Ti  Ti431  1  -0.015495  0.750894  0.788394  1
  Ti  Ti432  1  0.156714  0.739866  0.748550  1
  Ti  Ti433  1  0.650187  0.666437  0.822958  1
  Ti  Ti434  1  0.150805  0.664842  0.823605  1
  Ti  Ti435  1  0.278394  0.641304  0.840560  1
  Ti  Ti436  1  0.484819  0.331971  0.823446  1
  Ti  Ti437  1  0.454672  0.658684  0.777596  1
  Ti  Ti438  1  0.611881  0.308107  0.840696  1
  Ti  Ti439  1  0.776349  0.639897  0.839190  1
  Ti  Ti440  1  -0.016266  0.332774  0.823240  1
  Ti  Ti441  1  -0.045499  0.658336  0.778929  1
  Ti  Ti442  1  0.110998  0.307121  0.840133  1
  Ti  Ti443  1  0.317635  -0.001475  0.822099  1
  Ti  Ti444  1  0.287090  0.324020  0.779841  1
  Ti  Ti445  1  0.443031  -0.025064  0.840489  1
  Ti  Ti446  1  0.624646  -0.005224  0.785644  1
  Ti  Ti447  1  0.817611  -0.001569  0.823490  1
  Ti  Ti448  1  0.787947  0.324975  0.779756  1
  Ti  Ti449  1  -0.054298  -0.024892  0.841573  1
  Ti  Ti450  1  0.121089  -0.008081  0.778790  1
  Ti  Ti451  1  0.515783  0.641329  0.822473  1
  Ti  Ti452  1  0.016103  0.641374  0.822093  1
  Ti  Ti453  1  0.213541  0.621601  0.824887  1
  Ti  Ti454  1  0.350123  0.307508  0.821537  1
  Ti  Ti455  1  0.354025  0.641243  0.831767  1
  Ti  Ti456  1  0.547095  0.288115  0.824807  1
  Ti  Ti457  1  0.711599  0.621931  0.824909  1
  Ti  Ti458  1  0.849989  0.307948  0.822193  1
  Ti  Ti459  1  0.853063  0.641175  0.830920  1
  Ti  Ti460  1  0.045954  0.288912  0.824472  1
  Ti  Ti461  1  0.182446  -0.025720  0.822650  1
  Ti  Ti462  1  0.187155  0.307332  0.831281  1
  Ti  Ti463  1  0.379065  -0.045508  0.824952  1
  Ti  Ti464  1  0.517238  -0.024823  0.830890  1
  Ti  Ti465  1  0.686125  -0.025110  0.822067  1
  Ti  Ti466  1  0.687579  0.307988  0.831532  1
  Ti  Ti467  1  0.880665  -0.044399  0.824493  1
  Ti  Ti468  1  0.021279  -0.025699  0.831852  1
  Ti  Ti469  1  0.561557  0.573809  0.824896  1
  Ti  Ti470  1  0.061356  0.574287  0.824385  1
  Ti  Ti471  1  0.229312  0.544162  0.845372  1
  Ti  Ti472  1  0.394790  0.239790  0.824114  1
  Ti  Ti473  1  0.392950  0.538923  0.837869  1
  Ti  Ti474  1  0.562914  0.210426  0.845242  1
  Ti  Ti475  1  0.729504  0.543799  0.844535  1
  Ti  Ti476  1  0.894715  0.240057  0.824738  1
  Ti  Ti477  1  0.892848  0.538336  0.837468  1
  Ti  Ti478  1  0.062671  0.211285  0.845031  1
  Ti  Ti479  1  0.227745  0.907113  0.824520  1
  Ti  Ti480  1  0.226448  0.206644  0.838093  1
  Ti  Ti481  1  0.395593  0.877821  0.845528  1
  Ti  Ti482  1  0.558429  0.872094  0.840407  1
  Ti  Ti483  1  0.727464  0.906577  0.824088  1
  Ti  Ti484  1  0.726360  0.205912  0.838101  1
  Ti  Ti485  1  0.895996  0.879081  0.845770  1
  Ti  Ti486  1  0.059644  0.873269  0.838131  1
  Ti  Ti487  1  0.570643  0.493820  0.824092  1
  Ti  Ti488  1  0.071424  0.494377  0.823500  1
  Ti  Ti489  1  0.196609  0.475891  0.838504  1
  Ti  Ti490  1  0.403509  0.159718  0.824939  1
  Ti  Ti491  1  0.375500  0.492988  0.776613  1
  Ti  Ti492  1  0.530215  0.142994  0.838806  1
  Ti  Ti493  1  0.697187  0.475940  0.839206  1
  Ti  Ti494  1  0.903550  0.160392  0.824134  1
  Ti  Ti495  1  0.875290  0.492166  0.776087  1
  Ti  Ti496  1  0.030837  0.143032  0.838749  1
  Ti  Ti497  1  0.236616  0.827216  0.823863  1
  Ti  Ti498  1  0.210358  0.160640  0.776346  1
  Ti  Ti499  1  0.363915  0.809444  0.839396  1
  Ti  Ti500  1  0.542215  0.828236  0.776126  1
  Ti  Ti501  1  0.739276  0.826925  0.822977  1
  Ti  Ti502  1  0.709270  0.159425  0.777721  1
  Ti  Ti503  1  0.864946  0.810952  0.838960  1
  Ti  Ti504  1  0.043969  0.827722  0.776223  1
  Ti  Ti505  1  0.633381  0.454579  0.825946  1
  Ti  Ti506  1  0.133269  0.453699  0.826226  1
  Ti  Ti507  1  0.271196  0.473507  0.830208  1
  Ti  Ti508  1  0.466366  0.121208  0.826015  1
  Ti  Ti509  1  0.435165  0.476029  0.820220  1
  Ti  Ti510  1  0.604900  0.139220  0.830932  1
  Ti  Ti511  1  0.771406  0.473186  0.830388  1
  Ti  Ti512  1  -0.033162  0.121448  0.825551  1
  Ti  Ti513  1  -0.065027  0.476088  0.820053  1
  Ti  Ti514  1  0.104873  0.140484  0.829993  1
  Ti  Ti515  1  0.299769  0.787749  0.825629  1
  Ti  Ti516  1  0.268378  0.142577  0.821133  1
  Ti  Ti517  1  0.438051  0.807173  0.830270  1
  Ti  Ti518  1  0.600902  0.810096  0.820240  1
  Ti  Ti519  1  0.801949  0.786480  0.826488  1
  Ti  Ti520  1  0.768889  0.142713  0.820591  1
  Ti  Ti521  1  -0.060883  0.806767  0.830315  1
  Ti  Ti522  1  0.101835  0.809050  0.821338  1
  Ti  Ti523  1  0.645303  0.378946  0.848236  1
  Ti  Ti524  1  0.145095  0.376892  0.847959  1
  Ti  Ti525  1  0.309199  0.366941  0.842347  1
  Ti  Ti526  1  0.477959  0.045737  0.848603  1
  Ti  Ti527  1  0.476749  0.410662  0.832309  1
  Ti  Ti528  1  0.643207  0.038965  0.846392  1
  Ti  Ti529  1  0.809376  0.368271  0.843592  1
  Ti  Ti530  1  -0.021543  0.045658  0.848787  1
  Ti  Ti531  1  -0.023204  0.411371  0.832670  1
  Ti  Ti532  1  0.142470  0.034090  0.843558  1
  Ti  Ti533  1  0.311530  0.711751  0.848054  1
  Ti  Ti534  1  0.309372  0.077079  0.832935  1
  Ti  Ti535  1  0.475895  0.701205  0.842944  1
  Ti  Ti536  1  0.642982  0.745369  0.832606  1
  Ti  Ti537  1  0.811191  0.710113  0.847384  1
  Ti  Ti538  1  0.809949  0.076988  0.832411  1
  Ti  Ti539  1  -0.024690  0.701219  0.843372  1
  Ti  Ti540  1  0.142971  0.743567  0.832467  1
  Ti  Ti541  1  0.600052  0.635559  0.864170  1
  Ti  Ti542  1  0.100166  0.634783  0.864265  1
  Ti  Ti543  1  0.237033  0.607393  0.900584  1
  Ti  Ti544  1  0.433397  0.301772  0.863123  1
  Ti  Ti545  1  0.430187  0.634583  0.845606  1
  Ti  Ti546  1  0.569595  0.273830  0.900250  1
  Ti  Ti547  1  0.734587  0.606531  0.899507  1
  Ti  Ti548  1  -0.067070  0.302093  0.863445  1
  Ti  Ti549  1  -0.071532  0.634523  0.845872  1
  Ti  Ti550  1  0.068834  0.273858  0.899916  1
  Ti  Ti551  1  0.267296  -0.031431  0.863765  1
  Ti  Ti552  1  0.260811  0.299897  0.847068  1
  Ti  Ti553  1  0.403277  0.940885  0.901271  1
  Ti  Ti554  1  0.587005  -0.036104  0.840564  1
  Ti  Ti555  1  0.766172  -0.031442  0.862925  1
  Ti  Ti556  1  0.762693  0.301031  0.846800  1
  Ti  Ti557  1  0.904126  0.941728  0.901379  1
  Ti  Ti558  1  0.096226  -0.032500  0.846350  1
  Ti  Ti559  1  0.544298  0.609146  0.895607  1
  Ti  Ti560  1  0.043979  0.609742  0.895608  1
  Ti  Ti561  1  0.173514  0.635992  0.895520  1
  Ti  Ti562  1  0.378032  0.275431  0.895151  1
  Ti  Ti563  1  0.383334  0.604722  0.893489  1
  Ti  Ti564  1  0.506211  0.302792  0.895286  1
  Ti  Ti565  1  0.671149  0.637862  0.895877  1
  Ti  Ti566  1  0.877951  0.275615  0.895692  1
  Ti  Ti567  1  0.882626  0.604422  0.893168  1
  Ti  Ti568  1  0.005190  0.303628  0.895031  1
  Ti  Ti569  1  0.211155  -0.057368  0.895544  1
  Ti  Ti570  1  0.215910  0.271096  0.895341  1
  Ti  Ti571  1  0.339937  -0.030412  0.895144  1
  Ti  Ti572  1  0.548415  0.938386  0.895700  1
  Ti  Ti573  1  0.711724  -0.058145  0.896112  1
  Ti  Ti574  1  0.716581  0.271399  0.894271  1
  Ti  Ti575  1  0.840538  -0.030610  0.894875  1
  Ti  Ti576  1  0.050024  0.938258  0.894831  1
  Ti  Ti577  1  0.556053  0.526690  0.898387  1
  Ti  Ti578  1  0.056269  0.528261  0.898087  1
  Ti  Ti579  1  0.233029  0.487596  0.903784  1
  Ti  Ti580  1  0.389322  0.192652  0.898313  1
  Ti  Ti581  1  0.394627  0.486134  0.892941  1
  Ti  Ti582  1  0.565946  0.154702  0.904377  1
  Ti  Ti583  1  0.732704  0.488589  0.904349  1
  Ti  Ti584  1  0.889412  0.192641  0.898676  1
  Ti  Ti585  1  0.894607  0.486617  0.893455  1
  Ti  Ti586  1  0.066271  0.154987  0.904009  1
  Ti  Ti587  1  0.222425  0.860208  0.898263  1
  Ti  Ti588  1  0.227960  0.153395  0.893297  1
  Ti  Ti589  1  0.399637  0.821252  0.904200  1
  Ti  Ti590  1  0.561076  0.819300  0.894465  1
  Ti  Ti591  1  0.723520  0.859057  0.897809  1
  Ti  Ti592  1  0.727608  0.153159  0.892645  1
  Ti  Ti593  1  0.900042  0.821598  0.904261  1
  Ti  Ti594  1  0.061500  0.820043  0.893665  1
  Ti  Ti595  1  0.517638  0.468511  0.864546  1
  Ti  Ti596  1  0.018794  0.469505  0.864695  1
  Ti  Ti597  1  0.159035  0.443659  0.902576  1
  Ti  Ti598  1  0.349702  0.135176  0.864495  1
  Ti  Ti599  1  0.344972  0.466664  0.837603  1
  Ti  Ti600  1  0.494092  0.111552  0.903613  1
  Ti  Ti601  1  0.659980  0.444654  0.903391  1
  Ti  Ti602  1  0.850126  0.135444  0.864055  1
  Ti  Ti603  1  0.844943  0.466728  0.838196  1
  Ti  Ti604  1  -0.006168  0.112005  0.903150  1
  Ti  Ti605  1  0.183459  0.801864  0.864097  1
  Ti  Ti606  1  0.179460  0.133864  0.837143  1
  Ti  Ti607  1  0.325756  0.777445  0.902715  1
  Ti  Ti608  1  0.512608  0.801123  0.837288  1
  Ti  Ti609  1  0.685821  0.803186  0.863978  1
  Ti  Ti610  1  0.676677  0.132318  0.837988  1
  Ti  Ti611  1  0.829090  0.780719  0.904830  1
  Ti  Ti612  1  0.013679  0.800924  0.837004  1
  Ti  Ti613  1  0.595828  0.464915  0.896857  1
  Ti  Ti614  1  0.094895  0.465581  0.896883  1
  Ti  Ti615  1  0.301571  0.438050  0.891046  1
  Ti  Ti616  1  0.430061  0.131168  0.897352  1
  Ti  Ti617  1  0.460182  0.446327  0.899726  1
  Ti  Ti618  1  0.634543  0.107335  0.895345  1
  Ti  Ti619  1  0.801009  0.439308  0.892667  1
  Ti  Ti620  1  -0.070191  0.131345  0.896252  1
  Ti  Ti621  1  -0.039614  0.447195  0.899472  1
  Ti  Ti622  1  0.134847  0.105623  0.890855  1
  Ti  Ti623  1  0.261714  0.798419  0.896236  1
  Ti  Ti624  1  0.292984  0.112966  0.900585  1
  Ti  Ti625  1  0.468323  0.772285  0.891013  1
  Ti  Ti626  1  0.627158  0.781382  0.899373  1
  Ti  Ti627  1  0.764912  0.796785  0.895826  1
  Ti  Ti628  1  0.793409  0.112944  0.900020  1
  Ti  Ti629  1  -0.031536  0.771960  0.891083  1
  Ti  Ti630  1  0.126633  0.779247  0.900293  1
  Ti  Ti631  1  0.649305  0.320767  0.904551  1
  Ti  Ti632  1  0.148753  0.320100  0.904452  1
  Ti  Ti633  1  0.312770  0.318971  0.899441  1
  Ti  Ti634  1  0.481497  -0.012342  0.904675  1
  Ti  Ti635  1  0.470894  0.363675  0.903383  1
  Ti  Ti636  1  0.643899  -0.016982  0.892708  1
  Ti  Ti637  1  0.812886  0.319364  0.900246  1
  Ti  Ti638  1  -0.017347  -0.012563  0.905314  1
  Ti  Ti639  1  -0.029772  0.364717  0.903444  1
  Ti  Ti640  1  0.145738  -0.014476  0.901183  1
  Ti  Ti641  1  0.315318  0.653786  0.904730  1
  Ti  Ti642  1  0.303915  0.029955  0.903277  1
  Ti  Ti643  1  0.479225  0.652673  0.900660  1
  Ti  Ti644  1  0.637189  0.699553  0.903541  1
  Ti  Ti645  1  0.814399  0.652779  0.903575  1
  Ti  Ti646  1  0.803981  0.029403  0.903238  1
  Ti  Ti647  1  -0.021521  0.652736  0.900113  1
  Ti  Ti648  1  0.137087  0.696399  0.903429  1
  Nb  Nb649  1  0.603985  0.451693  0.564992  1
  Nb  Nb650  1  0.103679  0.452164  0.564820  1
  Nb  Nb651  1  0.269564  0.449533  0.566136  1
  Nb  Nb652  1  0.437543  0.118270  0.565604  1
  Nb  Nb653  1  0.446293  0.448854  0.561641  1
  Nb  Nb654  1  0.603001  0.116321  0.566225  1
  Nb  Nb655  1  0.769640  0.449582  0.565900  1
  Nb  Nb656  1  -0.062888  0.118621  0.564829  1
  Nb  Nb657  1  -0.053718  0.448751  0.561743  1
  Nb  Nb658  1  0.103099  0.115744  0.566037  1
  Nb  Nb659  1  0.270504  0.785191  0.564958  1
  Nb  Nb660  1  0.279756  0.115723  0.562691  1
  Nb  Nb661  1  0.436538  0.782915  0.566089  1
  Nb  Nb662  1  0.612852  0.782147  0.562087  1
  Nb  Nb663  1  0.770730  0.784708  0.565059  1
  Nb  Nb664  1  0.779579  0.115478  0.561384  1
  Nb  Nb665  1  -0.063795  0.782955  0.565971  1
  Nb  Nb666  1  0.113087  0.782445  0.562204  1
  Nb  Nb667  1  0.690688  0.614628  0.564618  1
  Nb  Nb668  1  0.190880  0.614793  0.564952  1
  Nb  Nb669  1  0.353156  0.617351  0.563648  1
  Nb  Nb670  1  0.523932  0.281331  0.564483  1
  Nb  Nb671  1  0.532578  0.616117  0.560895  1
  Nb  Nb672  1  0.686284  0.283960  0.563444  1
  Nb  Nb673  1  0.853025  0.617307  0.562354  1
  Nb  Nb674  1  0.024098  0.281499  0.563819  1
  Nb  Nb675  1  0.032447  0.616638  0.560281  1
  Nb  Nb676  1  0.185754  0.284313  0.562407  1
  Nb  Nb677  1  0.358031  -0.052240  0.564928  1
  Nb  Nb678  1  0.365701  0.283267  0.559901  1
  Nb  Nb679  1  0.519746  -0.049425  0.562848  1
  Nb  Nb680  1  0.698899  -0.050274  0.559771  1
  Nb  Nb681  1  0.857313  -0.051859  0.564214  1
  Nb  Nb682  1  0.865294  0.283063  0.559908  1
  Nb  Nb683  1  0.020110  -0.049689  0.562996  1
  Nb  Nb684  1  0.199248  -0.050297  0.560763  1
  Nb  Nb685  1  0.601394  0.442850  0.632987  1
  Nb  Nb686  1  0.101397  0.443085  0.632811  1
  Nb  Nb687  1  0.270210  0.446666  0.634239  1
  Nb  Nb688  1  0.434747  0.109253  0.633483  1
  Nb  Nb689  1  0.434967  0.442983  0.628852  1
  Nb  Nb690  1  0.603934  0.113075  0.634392  1
  Nb  Nb691  1  0.770536  0.446752  0.633979  1
  Nb  Nb692  1  -0.065315  0.109559  0.632813  1
  Nb  Nb693  1  -0.065131  0.442592  0.628972  1
  Nb  Nb694  1  0.103661  0.113442  0.634173  1
  Nb  Nb695  1  0.268064  0.776116  0.632910  1
  Nb  Nb696  1  0.268093  0.109408  0.629837  1
  Nb  Nb697  1  0.437047  0.780177  0.634144  1
  Nb  Nb698  1  0.601727  0.776165  0.629433  1
  Nb  Nb699  1  0.768099  0.775903  0.633097  1
  Nb  Nb700  1  0.768297  0.109393  0.628613  1
  Nb  Nb701  1  -0.063061  0.780053  0.634067  1
  Nb  Nb702  1  0.101514  0.776308  0.629388  1
  Nb  Nb703  1  0.684715  0.611626  0.632412  1
  Nb  Nb704  1  0.184740  0.611658  0.632755  1
  Nb  Nb705  1  0.354147  0.612831  0.631411  1
  Nb  Nb706  1  0.518278  0.278006  0.632295  1
  Nb  Nb707  1  0.518718  0.610729  0.627845  1
  Nb  Nb708  1  0.687591  0.278971  0.631361  1
  Nb  Nb709  1  0.854695  0.612285  0.630213  1
  Nb  Nb710  1  0.018394  0.278138  0.631661  1
  Nb  Nb711  1  0.018733  0.611057  0.627121  1
  Nb  Nb712  1  0.187321  0.279077  0.630265  1
  Nb  Nb713  1  0.351403  -0.055180  0.632538  1
  Nb  Nb714  1  0.351885  0.277799  0.626645  1
  Nb  Nb715  1  0.522156  -0.053698  0.630902  1
  Nb  Nb716  1  0.685595  -0.056100  0.626648  1
  Nb  Nb717  1  0.851447  -0.055097  0.632032  1
  Nb  Nb718  1  0.851882  0.277508  0.626852  1
  Nb  Nb719  1  0.020544  -0.053874  0.630966  1
  Nb  Nb720  1  0.185357  -0.055817  0.627657  1
  Nb  Nb721  1  0.590051  0.430320  0.701902  1
  Nb  Nb722  1  0.090079  0.430327  0.701644  1
  Nb  Nb723  1  0.255782  0.427415  0.700203  1
  Nb  Nb724  1  0.423241  0.096772  0.702365  1
  Nb  Nb725  1  0.420468  0.429512  0.696125  1
  Nb  Nb726  1  0.589061  0.093592  0.700069  1
  Nb  Nb727  1  0.755738  0.427421  0.699725  1
  Nb  Nb728  1  0.923396  0.096956  0.701752  1
  Nb  Nb729  1  0.920379  0.429324  0.696155  1
  Nb  Nb730  1  0.089066  0.094430  0.700104  1
  Nb  Nb731  1  0.256807  0.763661  0.701862  1
  Nb  Nb732  1  0.253375  0.095678  0.697097  1
  Nb  Nb733  1  0.422459  0.761222  0.700140  1
  Nb  Nb734  1  0.587074  0.762390  0.696569  1
  Nb  Nb735  1  0.757019  0.763919  0.702132  1
  Nb  Nb736  1  0.753700  0.096234  0.695897  1
  Nb  Nb737  1  0.922532  0.760987  0.700069  1
  Nb  Nb738  1  0.086803  0.762806  0.696692  1
  Nb  Nb739  1  0.671851  0.595194  0.699478  1
  Nb  Nb740  1  0.171864  0.595299  0.699879  1
  Nb  Nb741  1  0.339160  0.592897  0.697152  1
  Nb  Nb742  1  0.505430  0.262055  0.699530  1
  Nb  Nb743  1  0.503752  0.595924  0.694261  1
  Nb  Nb744  1  0.672838  0.259697  0.697232  1
  Nb  Nb745  1  0.839759  0.593616  0.696206  1
  Nb  Nb746  1  0.005566  0.261436  0.698672  1
  Nb  Nb747  1  0.004591  0.594815  0.693492  1
  Nb  Nb748  1  0.172842  0.260405  0.696410  1
  Nb  Nb749  1  0.338257  0.928537  0.699579  1
  Nb  Nb750  1  0.337562  0.261613  0.692983  1
  Nb  Nb751  1  0.506333  0.927472  0.696393  1
  Nb  Nb752  1  0.671599  0.927173  0.693036  1
  Nb  Nb753  1  0.838631  0.928593  0.699213  1
  Nb  Nb754  1  0.838085  0.261303  0.693358  1
  Nb  Nb755  1  0.005677  0.926679  0.696686  1
  Nb  Nb756  1  0.170333  0.928824  0.694059  1
  Nb  Nb757  1  0.570144  0.404765  0.762719  1
  Nb  Nb758  1  0.070858  0.405141  0.762843  1
  Nb  Nb759  1  0.237867  0.407103  0.765045  1
  Nb  Nb760  1  0.403118  0.071437  0.763067  1
  Nb  Nb761  1  0.406388  0.406218  0.760042  1
  Nb  Nb762  1  0.570437  0.074305  0.764779  1
  Nb  Nb763  1  0.737889  0.407270  0.764455  1
  Nb  Nb764  1  0.903505  0.072024  0.762752  1
  Nb  Nb765  1  0.906952  0.405530  0.759885  1
  Nb  Nb766  1  0.071138  0.074111  0.764734  1
  Nb  Nb767  1  0.236726  0.738462  0.762684  1
  Nb  Nb768  1  0.239396  0.072928  0.761371  1
  Nb  Nb769  1  0.404653  0.740580  0.764637  1
  Nb  Nb770  1  0.572677  0.740193  0.760927  1
  Nb  Nb771  1  0.736748  0.738337  0.762589  1
  Nb  Nb772  1  0.740263  0.072591  0.759683  1
  Nb  Nb773  1  0.904766  0.740523  0.764661  1
  Nb  Nb774  1  0.073116  0.739685  0.760759  1
  Nb  Nb775  1  0.655910  0.572242  0.763175  1
  Nb  Nb776  1  0.155554  0.571370  0.763138  1
  Nb  Nb777  1  0.322334  0.574760  0.762285  1
  Nb  Nb778  1  0.488972  0.239005  0.763226  1
  Nb  Nb779  1  0.491616  0.571433  0.757378  1
  Nb  Nb780  1  0.655723  0.241378  0.762344  1
  Nb  Nb781  1  0.822638  0.574729  0.761213  1
  Nb  Nb782  1  -0.010328  0.239301  0.762742  1
  Nb  Nb783  1  -0.008478  0.571498  0.756851  1
  Nb  Nb784  1  0.155839  0.241457  0.761469  1
  Nb  Nb785  1  0.321167  0.904362  0.762448  1
  Nb  Nb786  1  0.324326  0.238148  0.756424  1
  Nb  Nb787  1  0.487358  0.908777  0.760838  1
  Nb  Nb788  1  0.656844  0.906898  0.757051  1
  Nb  Nb789  1  0.822044  0.904817  0.762431  1
  Nb  Nb790  1  0.824626  0.238388  0.756762  1
  Nb  Nb791  1  -0.011251  0.908433  0.761898  1
  Nb  Nb792  1  0.157050  0.904906  0.757111  1
  Nb  Nb793  1  0.558870  0.384978  0.829138  1
  Nb  Nb794  1  0.058684  0.384959  0.828840  1
  Nb  Nb795  1  0.226504  0.388869  0.832145  1
  Nb  Nb796  1  0.391525  0.051612  0.829425  1
  Nb  Nb797  1  0.395039  0.386933  0.826342  1
  Nb  Nb798  1  0.559525  0.056508  0.832108  1
  Nb  Nb799  1  0.727179  0.389206  0.831696  1
  Nb  Nb800  1  0.892060  0.051653  0.828860  1
  Nb  Nb801  1  0.894562  0.387265  0.826355  1
  Nb  Nb802  1  0.060111  0.055755  0.831879  1
  Nb  Nb803  1  0.225180  0.718149  0.828790  1
  Nb  Nb804  1  0.227714  0.052883  0.827474  1
  Nb  Nb805  1  0.393566  0.722496  0.831829  1
  Nb  Nb806  1  0.561038  0.720223  0.827027  1
  Nb  Nb807  1  0.724887  0.718399  0.828804  1
  Nb  Nb808  1  0.727980  0.054421  0.826194  1
  Nb  Nb809  1  0.892979  0.723158  0.831876  1
  Nb  Nb810  1  0.060967  0.719596  0.826778  1
  Nb  Nb811  1  0.643015  0.553392  0.829704  1
  Nb  Nb812  1  0.142782  0.553655  0.829967  1
  Nb  Nb813  1  0.310654  0.556631  0.829299  1
  Nb  Nb814  1  0.476010  0.219775  0.829341  1
  Nb  Nb815  1  0.477965  0.553983  0.823903  1
  Nb  Nb816  1  0.644019  0.223211  0.829121  1
  Nb  Nb817  1  0.810914  0.556033  0.827833  1
  Nb  Nb818  1  -0.024010  0.220040  0.828846  1
  Nb  Nb819  1  -0.022227  0.554408  0.823448  1
  Nb  Nb820  1  0.144326  0.223033  0.828351  1
  Nb  Nb821  1  0.309003  0.886505  0.829421  1
  Nb  Nb822  1  0.310967  0.220906  0.823127  1
  Nb  Nb823  1  0.476920  0.890517  0.827917  1
  Nb  Nb824  1  0.643311  0.888242  0.822876  1
  Nb  Nb825  1  0.809355  0.887316  0.829208  1
  Nb  Nb826  1  0.811274  0.221277  0.823437  1
  Nb  Nb827  1  -0.022823  0.890132  0.828669  1
  Nb  Nb828  1  0.144155  0.887160  0.823770  1
  Nb  Nb829  1  0.562374  0.385074  0.897722  1
  Nb  Nb830  1  0.062013  0.384977  0.897348  1
  Nb  Nb831  1  0.226894  0.380189  0.900066  1
  Nb  Nb832  1  0.394941  0.052277  0.897990  1
  Nb  Nb833  1  0.386004  0.383073  0.893870  1
  Nb  Nb834  1  0.560748  0.046191  0.899619  1
  Nb  Nb835  1  0.726731  0.380600  0.899645  1
  Nb  Nb836  1  0.894995  0.052524  0.897393  1
  Nb  Nb837  1  0.885615  0.383719  0.893975  1
  Nb  Nb838  1  0.060065  0.047297  0.899824  1
  Nb  Nb839  1  0.228061  0.718501  0.897287  1
  Nb  Nb840  1  0.218674  0.050079  0.895154  1
  Nb  Nb841  1  0.393227  0.713525  0.899635  1
  Nb  Nb842  1  0.552216  0.716739  0.894714  1
  Nb  Nb843  1  0.728957  0.718655  0.897301  1
  Nb  Nb844  1  0.719620  0.050024  0.894039  1
  Nb  Nb845  1  0.891687  0.713433  0.899525  1
  Nb  Nb846  1  0.052299  0.716724  0.894449  1
  Nb  Nb847  1  0.645192  0.552091  0.898008  1
  Nb  Nb848  1  0.145758  0.551709  0.898330  1
  Nb  Nb849  1  0.310186  0.546283  0.896959  1
  Nb  Nb850  1  0.478640  0.218767  0.897784  1
  Nb  Nb851  1  0.469604  0.550359  0.891847  1
  Nb  Nb852  1  0.643401  0.214006  0.896971  1
  Nb  Nb853  1  0.809759  0.546937  0.895856  1
  Nb  Nb854  1  -0.021449  0.218954  0.897252  1
  Nb  Nb855  1  -0.030469  0.550761  0.891348  1
  Nb  Nb856  1  0.143359  0.213334  0.896175  1
  Nb  Nb857  1  0.311896  0.885249  0.897832  1
  Nb  Nb858  1  0.303154  0.217331  0.891173  1
  Nb  Nb859  1  0.476328  0.880330  0.895696  1
  Nb  Nb860  1  0.636062  0.884299  0.890821  1
  Nb  Nb861  1  0.811536  0.886452  0.897663  1
  Nb  Nb862  1  0.803222  0.217285  0.891425  1
  Nb  Nb863  1  -0.022877  0.879956  0.896406  1
  Nb  Nb864  1  0.136364  0.883691  0.891843  1
