# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.84586818
_cell_length_b   63.11273360
_cell_length_c   36.74370000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.99484335
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti756 Nb252'
_cell_volume   43643.3805273
_cell_formula_units_Z   252
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  0.296351  0.878104  0.469815  1
  Ti  Ti2  1  -0.037257  0.711615  0.469238  1
  Ti  Ti3  1  0.936617  0.883744  0.470350  1
  Ti  Ti4  1  0.294665  0.378487  0.468779  1
  Ti  Ti5  1  0.268157  0.550647  0.469818  1
  Ti  Ti6  1  0.323680  0.708148  0.447899  1
  Ti  Ti7  1  0.631447  0.544112  0.470806  1
  Ti  Ti8  1  0.600336  0.717627  0.469720  1
  Ti  Ti9  1  0.655511  0.874843  0.447369  1
  Ti  Ti10  1  -0.031716  0.209572  0.472274  1
  Ti  Ti11  1  0.935212  0.383843  0.470130  1
  Ti  Ti12  1  -0.010216  0.541403  0.447133  1
  Ti  Ti13  1  0.268966  0.050470  0.469826  1
  Ti  Ti14  1  0.324232  0.207722  0.448787  1
  Ti  Ti15  1  0.629413  0.045018  0.468826  1
  Ti  Ti16  1  0.602810  0.217503  0.470338  1
  Ti  Ti17  1  0.655075  0.374822  0.446464  1
  Ti  Ti18  1  -0.011460  0.041446  0.447439  1
  Ti  Ti19  1  0.149078  0.878297  0.469160  1
  Ti  Ti20  1  0.815388  0.711300  0.469505  1
  Ti  Ti21  1  0.818423  0.881197  0.506604  1
  Ti  Ti22  1  0.148388  0.378052  0.469339  1
  Ti  Ti23  1  0.151162  0.547803  0.506653  1
  Ti  Ti24  1  0.199549  0.720358  0.465302  1
  Ti  Ti25  1  0.483330  0.544717  0.469525  1
  Ti  Ti26  1  0.484013  0.714515  0.506788  1
  Ti  Ti27  1  0.531724  0.886703  0.465236  1
  Ti  Ti28  1  0.818516  0.211662  0.469266  1
  Ti  Ti29  1  0.818174  0.381328  0.507172  1
  Ti  Ti30  1  0.865326  0.553324  0.464499  1
  Ti  Ti31  1  0.152332  0.048032  0.506142  1
  Ti  Ti32  1  0.199046  0.219691  0.464284  1
  Ti  Ti33  1  0.482857  0.044552  0.469207  1
  Ti  Ti34  1  0.482320  0.213834  0.505329  1
  Ti  Ti35  1  0.531655  0.386630  0.464986  1
  Ti  Ti36  1  0.865734  0.053795  0.465791  1
  Ti  Ti37  1  0.063207  0.840945  0.468103  1
  Ti  Ti38  1  0.731283  0.673663  0.468559  1
  Ti  Ti39  1  0.791493  0.866331  0.441107  1
  Ti  Ti40  1  0.063415  0.340637  0.468759  1
  Ti  Ti41  1  0.126189  0.533231  0.440801  1
  Ti  Ti42  1  0.066208  0.685670  0.452415  1
  Ti  Ti43  1  0.397342  0.507458  0.468488  1
  Ti  Ti44  1  0.460309  0.700050  0.440851  1
  Ti  Ti45  1  0.398922  0.852209  0.452749  1
  Ti  Ti46  1  0.730545  0.175781  0.468350  1
  Ti  Ti47  1  0.792361  0.366748  0.441358  1
  Ti  Ti48  1  0.736082  0.519785  0.452057  1
  Ti  Ti49  1  0.124680  0.032891  0.440592  1
  Ti  Ti50  1  0.075195  0.186931  0.451263  1
  Ti  Ti51  1  0.397005  0.007522  0.468225  1
  Ti  Ti52  1  0.457147  0.198258  0.440091  1
  Ti  Ti53  1  0.397727  0.352489  0.451993  1
  Ti  Ti54  1  0.731023  0.018383  0.452813  1
  Ti  Ti55  1  0.137707  0.797989  0.459118  1
  Ti  Ti56  1  0.805925  0.631121  0.459463  1
  Ti  Ti57  1  0.742792  0.807655  0.481242  1
  Ti  Ti58  1  0.139275  0.297859  0.460117  1
  Ti  Ti59  1  0.077727  0.473967  0.480810  1
  Ti  Ti60  1  0.141580  0.624017  0.501225  1
  Ti  Ti61  1  0.471424  0.464539  0.459025  1
  Ti  Ti62  1  0.412261  0.640604  0.480513  1
  Ti  Ti63  1  0.474557  0.790673  0.501550  1
  Ti  Ti64  1  0.802009  0.131852  0.458602  1
  Ti  Ti65  1  0.740810  0.308443  0.481810  1
  Ti  Ti66  1  0.809865  0.457002  0.501149  1
  Ti  Ti67  1  0.076073  -0.025323  0.481120  1
  Ti  Ti68  1  0.144128  0.123788  0.500099  1
  Ti  Ti69  1  0.472856  -0.035616  0.459505  1
  Ti  Ti70  1  0.415022  0.139439  0.479119  1
  Ti  Ti71  1  0.473205  0.290750  0.500669  1
  Ti  Ti72  1  0.806867  -0.042580  0.501265  1
  Ti  Ti73  1  0.365930  0.804099  0.466107  1
  Ti  Ti74  1  0.032907  0.637293  0.465881  1
  Ti  Ti75  1  -0.052412  0.787839  0.465037  1
  Ti  Ti76  1  0.364176  0.303731  0.465031  1
  Ti  Ti77  1  0.280999  0.454916  0.466096  1
  Ti  Ti78  1  0.301573  0.627375  0.515683  1
  Ti  Ti79  1  0.700500  0.470810  0.467184  1
  Ti  Ti80  1  0.610100  0.621217  0.466551  1
  Ti  Ti81  1  0.633179  0.793753  0.516168  1
  Ti  Ti82  1  0.032802  0.137175  0.467685  1
  Ti  Ti83  1  0.939687  0.287418  0.466964  1
  Ti  Ti84  1  -0.032909  0.460532  0.516039  1
  Ti  Ti85  1  0.276721  0.954523  0.466532  1
  Ti  Ti86  1  0.299066  0.127165  0.515141  1
  Ti  Ti87  1  0.699438  -0.029150  0.465236  1
  Ti  Ti88  1  0.614239  0.121361  0.465936  1
  Ti  Ti89  1  0.631768  0.293812  0.516313  1
  Ti  Ti90  1  -0.032893  -0.039220  0.516222  1
  Ti  Ti91  1  0.228321  0.765183  0.454608  1
  Ti  Ti92  1  0.894796  0.597848  0.454071  1
  Ti  Ti93  1  0.885774  0.751847  0.477278  1
  Ti  Ti94  1  0.227777  0.264472  0.454423  1
  Ti  Ti95  1  0.218330  0.418904  0.477781  1
  Ti  Ti96  1  0.237517  0.612349  0.454206  1
  Ti  Ti97  1  0.561738  0.431309  0.453390  1
  Ti  Ti98  1  0.552234  0.584649  0.478126  1
  Ti  Ti99  1  0.570655  0.778968  0.454340  1
  Ti  Ti100  1  0.894068  0.098892  0.454895  1
  Ti  Ti101  1  0.886562  0.250421  0.478428  1
  Ti  Ti102  1  0.904971  0.445422  0.453974  1
  Ti  Ti103  1  0.218520  0.918366  0.478254  1
  Ti  Ti104  1  0.238431  0.111342  0.453053  1
  Ti  Ti105  1  0.561785  0.931306  0.454052  1
  Ti  Ti106  1  0.552341  0.085097  0.476890  1
  Ti  Ti107  1  0.570506  0.278952  0.454255  1
  Ti  Ti108  1  0.903789  0.945848  0.454520  1
  Ti  Ti109  1  0.232886  0.884465  0.527462  1
  Ti  Ti110  1  0.900441  0.717751  0.527089  1
  Ti  Ti111  1  0.920929  0.879236  0.544348  1
  Ti  Ti112  1  0.233258  0.384449  0.527035  1
  Ti  Ti113  1  0.254148  0.546003  0.544080  1
  Ti  Ti114  1  0.281629  0.710208  0.519229  1
  Ti  Ti115  1  0.566445  0.551087  0.527904  1
  Ti  Ti116  1  0.586848  0.712831  0.544132  1
  Ti  Ti117  1  0.615003  0.876834  0.519097  1
  Ti  Ti118  1  0.899315  0.217657  0.528282  1
  Ti  Ti119  1  0.920948  0.379268  0.544475  1
  Ti  Ti120  1  -0.051764  0.543498  0.518458  1
  Ti  Ti121  1  0.254278  0.046069  0.544442  1
  Ti  Ti122  1  0.282177  0.209754  0.519355  1
  Ti  Ti123  1  0.567955  0.050938  0.526978  1
  Ti  Ti124  1  0.586149  0.212945  0.543145  1
  Ti  Ti125  1  0.615399  0.376868  0.518620  1
  Ti  Ti126  1  -0.051268  0.043360  0.519631  1
  Ti  Ti127  1  0.054363  0.868884  0.518846  1
  Ti  Ti128  1  0.720444  0.701944  0.519175  1
  Ti  Ti129  1  0.728654  0.868780  0.553484  1
  Ti  Ti130  1  0.054237  0.368650  0.519436  1
  Ti  Ti131  1  0.061392  0.535413  0.553148  1
  Ti  Ti132  1  0.090844  0.703854  0.512083  1
  Ti  Ti133  1  0.388088  0.535452  0.519317  1
  Ti  Ti134  1  0.395135  0.702046  0.553283  1
  Ti  Ti135  1  0.423891  0.870420  0.512318  1
  Ti  Ti136  1  0.723648  0.202873  0.519814  1
  Ti  Ti137  1  0.728339  0.368801  0.553940  1
  Ti  Ti138  1  0.759749  0.537453  0.512901  1
  Ti  Ti139  1  0.063767  0.035689  0.553214  1
  Ti  Ti140  1  0.096638  0.204222  0.513394  1
  Ti  Ti141  1  0.387714  0.035517  0.519308  1
  Ti  Ti142  1  0.395440  0.202607  0.554024  1
  Ti  Ti143  1  0.422540  0.370366  0.511679  1
  Ti  Ti144  1  0.756109  0.036980  0.511834  1
  Ti  Ti145  1  0.027179  0.833755  0.540267  1
  Ti  Ti146  1  0.694546  0.666722  0.540850  1
  Ti  Ti147  1  0.719740  0.850083  0.492641  1
  Ti  Ti148  1  0.027325  0.333400  0.540900  1
  Ti  Ti149  1  0.053916  0.516524  0.492114  1
  Ti  Ti150  1  0.047354  0.663912  0.513933  1
  Ti  Ti151  1  0.360721  0.500442  0.540720  1
  Ti  Ti152  1  0.387614  0.683131  0.492119  1
  Ti  Ti153  1  0.377662  0.830549  0.515044  1
  Ti  Ti154  1  0.694752  0.167607  0.539794  1
  Ti  Ti155  1  0.719446  0.350527  0.492501  1
  Ti  Ti156  1  0.711056  0.497859  0.514035  1
  Ti  Ti157  1  0.053457  0.016924  0.492354  1
  Ti  Ti158  1  0.046334  0.165507  0.512789  1
  Ti  Ti159  1  0.361182  0.000413  0.540153  1
  Ti  Ti160  1  0.388066  0.182064  0.493345  1
  Ti  Ti161  1  0.379030  0.330278  0.513602  1
  Ti  Ti162  1  0.711257  -0.003274  0.515362  1
  Ti  Ti163  1  0.062448  0.800599  0.510339  1
  Ti  Ti164  1  0.728861  0.633633  0.510486  1
  Ti  Ti165  1  0.769220  0.792768  0.543653  1
  Ti  Ti166  1  0.060116  0.300268  0.510360  1
  Ti  Ti167  1  0.101638  0.459663  0.543536  1
  Ti  Ti168  1  0.045802  0.628562  0.549978  1
  Ti  Ti169  1  0.396510  0.467121  0.510638  1
  Ti  Ti170  1  0.435614  0.626341  0.543437  1
  Ti  Ti171  1  0.378795  0.795199  0.550279  1
  Ti  Ti172  1  0.730251  0.134108  0.510383  1
  Ti  Ti173  1  0.768357  0.293013  0.543814  1
  Ti  Ti174  1  0.712056  0.462237  0.548832  1
  Ti  Ti175  1  0.102619  -0.040356  0.543439  1
  Ti  Ti176  1  0.046260  0.128997  0.548101  1
  Ti  Ti177  1  0.394878  -0.032661  0.510019  1
  Ti  Ti178  1  0.426930  0.128290  0.542878  1
  Ti  Ti179  1  0.379687  0.295114  0.550136  1
  Ti  Ti180  1  0.712724  -0.038380  0.550938  1
  Ti  Ti181  1  0.253883  0.786893  0.509190  1
  Ti  Ti182  1  0.921106  0.619924  0.508513  1
  Ti  Ti183  1  0.903473  0.785602  0.528317  1
  Ti  Ti184  1  0.254932  0.286579  0.508662  1
  Ti  Ti185  1  0.235659  0.452115  0.528765  1
  Ti  Ti186  1  0.207038  0.615658  0.557778  1
  Ti  Ti187  1  0.586800  0.453326  0.508111  1
  Ti  Ti188  1  0.569633  0.618777  0.529284  1
  Ti  Ti189  1  0.539685  0.782412  0.558612  1
  Ti  Ti190  1  0.918768  0.120074  0.509291  1
  Ti  Ti191  1  0.903256  0.285373  0.529972  1
  Ti  Ti192  1  0.872801  0.448840  0.558250  1
  Ti  Ti193  1  0.236928  0.952238  0.529823  1
  Ti  Ti194  1  0.204654  0.115463  0.558083  1
  Ti  Ti195  1  0.588683  0.953433  0.508696  1
  Ti  Ti196  1  0.564876  0.118853  0.527764  1
  Ti  Ti197  1  0.537769  0.282129  0.557960  1
  Ti  Ti198  1  0.873010  0.948815  0.557624  1
  Ti  Ti199  1  0.206887  0.747261  0.519566  1
  Ti  Ti200  1  0.873516  0.580128  0.518913  1
  Ti  Ti201  1  0.851891  0.754093  0.547186  1
  Ti  Ti202  1  0.207255  0.246195  0.518673  1
  Ti  Ti203  1  0.184753  0.420470  0.548239  1
  Ti  Ti204  1  0.217115  0.585958  0.503784  1
  Ti  Ti205  1  0.540431  0.413782  0.518284  1
  Ti  Ti206  1  0.517876  0.587331  0.548418  1
  Ti  Ti207  1  0.550248  0.752796  0.504189  1
  Ti  Ti208  1  0.873516  0.080488  0.519738  1
  Ti  Ti209  1  0.851566  0.253943  0.548695  1
  Ti  Ti210  1  0.884115  0.419216  0.504106  1
  Ti  Ti211  1  0.184695  0.920703  0.548605  1
  Ti  Ti212  1  0.217801  0.085940  0.504181  1
  Ti  Ti213  1  0.540315  0.913810  0.518914  1
  Ti  Ti214  1  0.518531  0.087179  0.546892  1
  Ti  Ti215  1  0.549922  0.252595  0.504075  1
  Ti  Ti216  1  0.883924  0.919282  0.503806  1
  Ti  Ti217  1  0.158069  0.880423  0.577868  1
  Ti  Ti218  1  0.823733  0.713568  0.576663  1
  Ti  Ti219  1  0.829128  0.878536  0.600663  1
  Ti  Ti220  1  0.158867  0.380233  0.578130  1
  Ti  Ti221  1  0.161988  0.545283  0.600194  1
  Ti  Ti222  1  0.187205  0.713937  0.564150  1
  Ti  Ti223  1  0.490227  0.546922  0.577536  1
  Ti  Ti224  1  0.495499  0.712090  0.600285  1
  Ti  Ti225  1  0.521476  0.880441  0.564142  1
  Ti  Ti226  1  0.824558  0.213578  0.578288  1
  Ti  Ti227  1  0.829241  0.378657  0.600704  1
  Ti  Ti228  1  0.856826  0.546785  0.565031  1
  Ti  Ti229  1  0.163050  0.045414  0.600799  1
  Ti  Ti230  1  0.192749  0.212952  0.566588  1
  Ti  Ti231  1  0.490896  0.046911  0.576673  1
  Ti  Ti232  1  0.496695  0.211631  0.600772  1
  Ti  Ti233  1  0.520710  0.380220  0.563001  1
  Ti  Ti234  1  0.852951  0.047286  0.563714  1
  Ti  Ti235  1  0.018317  0.865744  0.589573  1
  Ti  Ti236  1  0.684395  0.699122  0.589880  1
  Ti  Ti237  1  0.647688  0.862742  0.600824  1
  Ti  Ti238  1  0.017900  0.365769  0.589748  1
  Ti  Ti239  1  -0.017204  0.529545  0.601762  1
  Ti  Ti240  1  0.014146  0.697134  0.562335  1
  Ti  Ti241  1  0.351293  0.532443  0.589985  1
  Ti  Ti242  1  0.314428  0.696305  0.600805  1
  Ti  Ti243  1  0.346840  0.863889  0.562250  1
  Ti  Ti244  1  0.683415  0.199254  0.589123  1
  Ti  Ti245  1  0.645236  0.362634  0.600563  1
  Ti  Ti246  1  0.680441  0.530682  0.562441  1
  Ti  Ti247  1  -0.019265  0.029650  0.599814  1
  Ti  Ti248  1  0.013891  0.197214  0.561479  1
  Ti  Ti249  1  0.351454  0.032707  0.590011  1
  Ti  Ti250  1  0.318108  0.196615  0.604608  1
  Ti  Ti251  1  0.347520  0.363864  0.561990  1
  Ti  Ti252  1  0.681156  0.030449  0.562393  1
  Ti  Ti253  1  -0.026259  0.828242  0.604604  1
  Ti  Ti254  1  0.640079  0.661654  0.604972  1
  Ti  Ti255  1  0.686026  0.827814  0.551705  1
  Ti  Ti256  1  -0.027401  0.328513  0.605080  1
  Ti  Ti257  1  0.019583  0.494541  0.551623  1
  Ti  Ti258  1  -0.007869  0.658347  0.582944  1
  Ti  Ti259  1  0.307197  0.495038  0.604927  1
  Ti  Ti260  1  0.353276  0.661135  0.551455  1
  Ti  Ti261  1  0.324955  0.825049  0.583263  1
  Ti  Ti262  1  0.641304  0.161675  0.604239  1
  Ti  Ti263  1  0.685463  0.327974  0.551424  1
  Ti  Ti264  1  0.658955  0.491765  0.582804  1
  Ti  Ti265  1  0.019339  -0.004749  0.551668  1
  Ti  Ti266  1  -0.007058  0.158223  0.582003  1
  Ti  Ti267  1  0.307432  -0.004913  0.604571  1
  Ti  Ti268  1  0.349262  0.163527  0.555087  1
  Ti  Ti269  1  0.326055  0.325036  0.582432  1
  Ti  Ti270  1  0.658541  -0.008400  0.583583  1
  Ti  Ti271  1  0.013388  0.795509  0.572923  1
  Ti  Ti272  1  0.679800  0.628783  0.573161  1
  Ti  Ti273  1  0.669077  0.795051  0.591830  1
  Ti  Ti274  1  0.013792  0.295483  0.573511  1
  Ti  Ti275  1  0.001664  0.461897  0.591662  1
  Ti  Ti276  1  -0.047572  0.625504  0.607321  1
  Ti  Ti277  1  0.346211  0.462188  0.572906  1
  Ti  Ti278  1  0.335696  0.628445  0.591491  1
  Ti  Ti279  1  0.285590  0.792198  0.607357  1
  Ti  Ti280  1  0.678282  0.129028  0.571305  1
  Ti  Ti281  1  0.667139  0.295294  0.591548  1
  Ti  Ti282  1  0.620156  0.458821  0.607032  1
  Ti  Ti283  1  0.002697  -0.038180  0.591349  1
  Ti  Ti284  1  -0.045872  0.125423  0.606744  1
  Ti  Ti285  1  0.348105  -0.037749  0.572798  1
  Ti  Ti286  1  0.330582  0.129502  0.591937  1
  Ti  Ti287  1  0.285826  0.292245  0.607130  1
  Ti  Ti288  1  0.617716  -0.041194  0.607278  1
  Ti  Ti289  1  0.171188  0.783683  0.558921  1
  Ti  Ti290  1  0.838801  0.616842  0.558200  1
  Ti  Ti291  1  0.853541  0.783854  0.599231  1
  Ti  Ti292  1  0.171579  0.283507  0.557383  1
  Ti  Ti293  1  0.185613  0.450344  0.599468  1
  Ti  Ti294  1  0.137309  0.614196  0.611193  1
  Ti  Ti295  1  0.505632  0.450136  0.558391  1
  Ti  Ti296  1  0.518512  0.617080  0.600008  1
  Ti  Ti297  1  0.469197  0.781049  0.611967  1
  Ti  Ti298  1  0.837641  0.116978  0.559542  1
  Ti  Ti299  1  0.850931  0.283870  0.600173  1
  Ti  Ti300  1  0.802218  0.447577  0.611306  1
  Ti  Ti301  1  0.184079  0.950301  0.599985  1
  Ti  Ti302  1  0.134500  0.114479  0.611829  1
  Ti  Ti303  1  0.504471  0.950403  0.557937  1
  Ti  Ti304  1  0.515226  0.116607  0.597892  1
  Ti  Ti305  1  0.470343  0.280712  0.611920  1
  Ti  Ti306  1  0.805694  0.947283  0.611575  1
  Ti  Ti307  1  0.153862  0.749807  0.588124  1
  Ti  Ti308  1  0.821204  0.582744  0.586630  1
  Ti  Ti309  1  0.802908  0.747185  0.612925  1
  Ti  Ti310  1  0.155517  0.249193  0.585824  1
  Ti  Ti311  1  0.134848  0.414186  0.614295  1
  Ti  Ti312  1  0.168185  0.577905  0.565859  1
  Ti  Ti313  1  0.488863  0.415593  0.585658  1
  Ti  Ti314  1  0.468293  0.580559  0.614316  1
  Ti  Ti315  1  0.501226  0.744774  0.566171  1
  Ti  Ti316  1  0.820760  0.083117  0.588318  1
  Ti  Ti317  1  0.801075  0.247594  0.614321  1
  Ti  Ti318  1  0.834274  0.411126  0.566254  1
  Ti  Ti319  1  0.134512  0.914235  0.614559  1
  Ti  Ti320  1  0.167716  0.077746  0.566219  1
  Ti  Ti321  1  0.487940  0.916404  0.586672  1
  Ti  Ti322  1  0.469788  0.079980  0.613406  1
  Ti  Ti323  1  0.500643  0.243995  0.565939  1
  Ti  Ti324  1  0.834674  0.910983  0.565985  1
  Ti  Ti325  1  0.118768  0.876628  0.643351  1
  Ti  Ti326  1  0.787574  0.709272  0.643049  1
  Ti  Ti327  1  0.766355  0.873795  0.660366  1
  Ti  Ti328  1  0.116424  0.376794  0.643248  1
  Ti  Ti329  1  0.099780  0.540470  0.660024  1
  Ti  Ti330  1  0.115081  0.711266  0.617312  1
  Ti  Ti331  1  0.453473  0.542789  0.643557  1
  Ti  Ti332  1  0.432491  0.707118  0.659649  1
  Ti  Ti333  1  0.448363  0.878033  0.616822  1
  Ti  Ti334  1  0.782784  0.209998  0.642668  1
  Ti  Ti335  1  0.766274  0.374026  0.660029  1
  Ti  Ti336  1  0.780879  0.544546  0.616800  1
  Ti  Ti337  1  0.098702  0.040548  0.659472  1
  Ti  Ti338  1  0.112388  0.211102  0.616332  1
  Ti  Ti339  1  0.452956  0.042417  0.643179  1
  Ti  Ti340  1  0.433687  0.206803  0.660241  1
  Ti  Ti341  1  0.449049  0.377705  0.616687  1
  Ti  Ti342  1  0.782121  0.044588  0.617248  1
  Ti  Ti343  1  0.938850  0.863295  0.641992  1
  Ti  Ti344  1  0.604495  0.696711  0.642038  1
  Ti  Ti345  1  0.568387  0.859991  0.654714  1
  Ti  Ti346  1  0.938632  0.363397  0.642490  1
  Ti  Ti347  1  0.900792  0.526844  0.654459  1
  Ti  Ti348  1  0.944356  0.695546  0.620893  1
  Ti  Ti349  1  0.271075  0.530022  0.642053  1
  Ti  Ti350  1  0.235206  0.693523  0.654360  1
  Ti  Ti351  1  0.280850  0.862167  0.620575  1
  Ti  Ti352  1  0.606405  0.196623  0.642205  1
  Ti  Ti353  1  0.568079  0.359766  0.656270  1
  Ti  Ti354  1  0.612564  0.528831  0.620439  1
  Ti  Ti355  1  0.902637  0.026759  0.654183  1
  Ti  Ti356  1  -0.051135  0.195426  0.619845  1
  Ti  Ti357  1  0.271977  0.030061  0.641952  1
  Ti  Ti358  1  0.229932  0.193709  0.657030  1
  Ti  Ti359  1  0.281792  0.362013  0.620307  1
  Ti  Ti360  1  0.614340  0.028568  0.620535  1
  Ti  Ti361  1  0.915009  0.827417  0.668053  1
  Ti  Ti362  1  0.581277  0.660603  0.668179  1
  Ti  Ti363  1  0.619839  0.826436  0.623994  1
  Ti  Ti364  1  0.913898  0.327444  0.668357  1
  Ti  Ti365  1  -0.046749  0.493339  0.623930  1
  Ti  Ti366  1  0.934573  0.658310  0.649294  1
  Ti  Ti367  1  0.248079  0.494105  0.668144  1
  Ti  Ti368  1  0.286855  0.659968  0.623479  1
  Ti  Ti369  1  0.268107  0.825085  0.649420  1
  Ti  Ti370  1  0.582424  0.160579  0.667410  1
  Ti  Ti371  1  0.619151  0.326386  0.624710  1
  Ti  Ti372  1  0.601653  0.491637  0.649081  1
  Ti  Ti373  1  -0.045912  -0.006665  0.623374  1
  Ti  Ti374  1  0.935660  0.158109  0.648263  1
  Ti  Ti375  1  0.248487  -0.006129  0.667770  1
  Ti  Ti376  1  0.284203  0.161165  0.627214  1
  Ti  Ti377  1  0.268489  0.324828  0.648835  1
  Ti  Ti378  1  0.601673  -0.008555  0.649806  1
  Ti  Ti379  1  -0.026692  0.791240  0.636910  1
  Ti  Ti380  1  0.639582  0.624631  0.637206  1
  Ti  Ti381  1  0.593635  0.791372  0.651564  1
  Ti  Ti382  1  -0.027931  0.291390  0.637093  1
  Ti  Ti383  1  0.926565  0.458010  0.651353  1
  Ti  Ti384  1  0.906717  0.622776  0.672428  1
  Ti  Ti385  1  0.306359  0.457962  0.636712  1
  Ti  Ti386  1  0.260961  0.624659  0.651355  1
  Ti  Ti387  1  0.239789  0.789572  0.672441  1
  Ti  Ti388  1  0.638088  0.124440  0.634980  1
  Ti  Ti389  1  0.593937  0.291334  0.652345  1
  Ti  Ti390  1  0.573331  0.456079  0.671823  1
  Ti  Ti391  1  0.929250  -0.042088  0.651499  1
  Ti  Ti392  1  0.907206  0.122686  0.671302  1
  Ti  Ti393  1  0.306554  -0.042043  0.636354  1
  Ti  Ti394  1  0.259114  0.125267  0.652077  1
  Ti  Ti395  1  0.241273  0.289371  0.672474  1
  Ti  Ti396  1  0.573885  0.955990  0.672758  1
  Ti  Ti397  1  0.125695  0.782268  0.626072  1
  Ti  Ti398  1  0.793239  0.615449  0.625047  1
  Ti  Ti399  1  0.762607  0.778460  0.649532  1
  Ti  Ti400  1  0.128407  0.281912  0.624498  1
  Ti  Ti401  1  0.094269  0.445687  0.650076  1
  Ti  Ti402  1  0.055784  0.612476  0.662996  1
  Ti  Ti403  1  0.459918  0.448650  0.624809  1
  Ti  Ti404  1  0.427079  0.611792  0.650385  1
  Ti  Ti405  1  0.387776  0.779054  0.663893  1
  Ti  Ti406  1  0.791164  0.115562  0.626246  1
  Ti  Ti407  1  0.758534  0.278962  0.649860  1
  Ti  Ti408  1  0.721855  0.445785  0.663514  1
  Ti  Ti409  1  0.093899  0.945665  0.650736  1
  Ti  Ti410  1  0.054803  0.112248  0.664643  1
  Ti  Ti411  1  0.460434  0.948812  0.625355  1
  Ti  Ti412  1  0.430219  0.111471  0.649789  1
  Ti  Ti413  1  0.389738  0.278849  0.663670  1
  Ti  Ti414  1  0.722580  0.945833  0.662289  1
  Ti  Ti415  1  0.096108  0.747979  0.652282  1
  Ti  Ti416  1  0.763294  0.581343  0.651217  1
  Ti  Ti417  1  0.740365  0.740735  0.680100  1
  Ti  Ti418  1  0.097149  0.247587  0.650100  1
  Ti  Ti419  1  0.071696  0.409562  0.682628  1
  Ti  Ti420  1  0.110336  0.578070  0.634714  1
  Ti  Ti421  1  0.429885  0.414466  0.650295  1
  Ti  Ti422  1  0.404761  0.574295  0.682279  1
  Ti  Ti423  1  0.443829  0.744939  0.634914  1
  Ti  Ti424  1  0.762814  0.081590  0.652525  1
  Ti  Ti425  1  0.737983  0.242269  0.682464  1
  Ti  Ti426  1  0.776620  0.411522  0.635131  1
  Ti  Ti427  1  0.071508  0.909163  0.682871  1
  Ti  Ti428  1  0.110743  0.078392  0.635068  1
  Ti  Ti429  1  0.429498  0.914872  0.651245  1
  Ti  Ti430  1  0.406930  0.073362  0.680638  1
  Ti  Ti431  1  0.443390  0.244292  0.634810  1
  Ti  Ti432  1  0.777007  0.911150  0.634767  1
  Ti  Ti433  1  0.037141  0.872513  0.696157  1
  Ti  Ti434  1  0.701394  0.705643  0.696926  1
  Ti  Ti435  1  0.670134  0.870341  0.705702  1
  Ti  Ti436  1  0.037576  0.372661  0.697084  1
  Ti  Ti437  1  0.002432  0.536875  0.705744  1
  Ti  Ti438  1  0.076898  0.708840  0.680227  1
  Ti  Ti439  1  0.368549  0.538742  0.696669  1
  Ti  Ti440  1  0.335732  0.703298  0.705948  1
  Ti  Ti441  1  0.411973  0.875517  0.679971  1
  Ti  Ti442  1  0.705013  0.205544  0.696880  1
  Ti  Ti443  1  0.671292  0.370404  0.705859  1
  Ti  Ti444  1  0.744275  0.542238  0.679791  1
  Ti  Ti445  1  0.003029  0.036720  0.706218  1
  Ti  Ti446  1  0.082642  0.208642  0.680844  1
  Ti  Ti447  1  0.367091  0.038494  0.697293  1
  Ti  Ti448  1  0.335832  0.203189  0.704964  1
  Ti  Ti449  1  0.414286  0.375408  0.680399  1
  Ti  Ti450  1  0.745550  0.042087  0.680037  1
  Ti  Ti451  1  0.881973  0.859760  0.706684  1
  Ti  Ti452  1  0.546695  0.693070  0.706400  1
  Ti  Ti453  1  0.533084  0.856362  0.717001  1
  Ti  Ti454  1  0.880608  0.359675  0.706864  1
  Ti  Ti455  1  0.864487  0.522916  0.716692  1
  Ti  Ti456  1  0.899327  0.693420  0.687696  1
  Ti  Ti457  1  0.214638  0.526380  0.706904  1
  Ti  Ti458  1  0.197195  0.689712  0.716287  1
  Ti  Ti459  1  0.230108  0.860091  0.686765  1
  Ti  Ti460  1  0.550073  0.192849  0.706449  1
  Ti  Ti461  1  0.532603  0.356389  0.719377  1
  Ti  Ti462  1  0.566459  0.526757  0.687645  1
  Ti  Ti463  1  0.865640  0.022858  0.716132  1
  Ti  Ti464  1  0.893479  0.192995  0.684276  1
  Ti  Ti465  1  0.212875  0.026295  0.705994  1
  Ti  Ti466  1  0.198731  0.189964  0.721533  1
  Ti  Ti467  1  0.226691  0.359663  0.685002  1
  Ti  Ti468  1  0.564461  0.026583  0.686948  1
  Ti  Ti469  1  0.854111  0.826739  0.734678  1
  Ti  Ti470  1  0.520534  0.660042  0.734956  1
  Ti  Ti471  1  0.559279  0.820794  0.692139  1
  Ti  Ti472  1  0.853701  0.326448  0.735229  1
  Ti  Ti473  1  0.893467  0.487487  0.691467  1
  Ti  Ti474  1  0.877252  0.658462  0.716624  1
  Ti  Ti475  1  0.187820  0.493172  0.734835  1
  Ti  Ti476  1  0.226833  0.654325  0.691171  1
  Ti  Ti477  1  0.210815  0.825263  0.716728  1
  Ti  Ti478  1  0.521318  0.159927  0.734400  1
  Ti  Ti479  1  0.558504  0.320966  0.693339  1
  Ti  Ti480  1  0.544229  0.491556  0.716266  1
  Ti  Ti481  1  0.893890  -0.012659  0.691035  1
  Ti  Ti482  1  0.878145  0.158428  0.715671  1
  Ti  Ti483  1  0.187873  -0.006627  0.734759  1
  Ti  Ti484  1  0.224094  0.154641  0.694824  1
  Ti  Ti485  1  0.210812  0.324788  0.716398  1
  Ti  Ti486  1  0.544362  -0.008235  0.716938  1
  Ti  Ti487  1  0.888308  0.790241  0.685730  1
  Ti  Ti488  1  0.553860  0.623611  0.685686  1
  Ti  Ti489  1  0.506400  0.786678  0.705064  1
  Ti  Ti490  1  0.884740  0.290394  0.684853  1
  Ti  Ti491  1  0.839193  0.453013  0.704655  1
  Ti  Ti492  1  0.861417  0.620809  0.734428  1
  Ti  Ti493  1  0.221524  0.456881  0.685598  1
  Ti  Ti494  1  0.173044  0.619810  0.704454  1
  Ti  Ti495  1  0.195182  0.787434  0.734286  1
  Ti  Ti496  1  0.557110  0.123227  0.685593  1
  Ti  Ti497  1  0.506986  0.286820  0.705591  1
  Ti  Ti498  1  0.528217  0.454011  0.733842  1
  Ti  Ti499  1  0.839396  0.953046  0.704194  1
  Ti  Ti500  1  0.861232  0.120768  0.732698  1
  Ti  Ti501  1  0.222498  -0.043078  0.685809  1
  Ti  Ti502  1  0.173822  0.120085  0.705264  1
  Ti  Ti503  1  0.192699  0.287290  0.733966  1
  Ti  Ti504  1  0.527869  0.954162  0.734524  1
  Ti  Ti505  1  0.071758  0.777302  0.693376  1
  Ti  Ti506  1  0.739433  0.611083  0.692307  1
  Ti  Ti507  1  0.695910  0.774973  0.709047  1
  Ti  Ti508  1  0.073489  0.277573  0.690824  1
  Ti  Ti509  1  0.024065  0.442614  0.709854  1
  Ti  Ti510  1  0.018879  0.605891  0.725243  1
  Ti  Ti511  1  0.405838  0.444199  0.691708  1
  Ti  Ti512  1  0.360339  0.608453  0.710150  1
  Ti  Ti513  1  0.357175  0.772008  0.727178  1
  Ti  Ti514  1  0.735211  0.110447  0.693235  1
  Ti  Ti515  1  0.692921  0.275325  0.710230  1
  Ti  Ti516  1  0.683549  0.439442  0.725818  1
  Ti  Ti517  1  0.025170  0.942320  0.710395  1
  Ti  Ti518  1  0.025746  0.105084  0.728565  1
  Ti  Ti519  1  0.404642  0.944136  0.692814  1
  Ti  Ti520  1  0.364431  0.107897  0.709114  1
  Ti  Ti521  1  0.355416  0.272411  0.726816  1
  Ti  Ti522  1  0.684233  0.939547  0.724612  1
  Ti  Ti523  1  0.041784  0.742703  0.719638  1
  Ti  Ti524  1  0.708461  0.576742  0.718381  1
  Ti  Ti525  1  0.678185  0.742803  0.749973  1
  Ti  Ti526  1  0.043425  0.243272  0.717184  1
  Ti  Ti527  1  0.010205  0.409800  0.752506  1
  Ti  Ti528  1  0.057479  0.572479  0.698940  1
  Ti  Ti529  1  0.376586  0.409786  0.717957  1
  Ti  Ti530  1  0.343222  0.576168  0.752642  1
  Ti  Ti531  1  0.390689  0.738745  0.698899  1
  Ti  Ti532  1  0.708834  0.075528  0.719667  1
  Ti  Ti533  1  0.676414  0.242971  0.753020  1
  Ti  Ti534  1  0.724010  0.406271  0.699646  1
  Ti  Ti535  1  0.009849  0.909566  0.752990  1
  Ti  Ti536  1  0.057496  0.072160  0.698976  1
  Ti  Ti537  1  0.375350  0.909421  0.718725  1
  Ti  Ti538  1  0.344815  0.076173  0.750716  1
  Ti  Ti539  1  0.390307  0.238863  0.698999  1
  Ti  Ti540  1  0.724117  0.906233  0.699115  1
  Ti  Ti541  1  0.001675  0.869169  0.757866  1
  Ti  Ti542  1  0.670226  0.703049  0.760861  1
  Ti  Ti543  1  0.621755  0.865463  0.772661  1
  Ti  Ti544  1  0.004223  0.369328  0.759281  1
  Ti  Ti545  1  -0.047274  0.531875  0.772790  1
  Ti  Ti546  1  0.006962  0.703432  0.736228  1
  Ti  Ti547  1  0.336412  0.535855  0.759020  1
  Ti  Ti548  1  0.284571  0.698360  0.772768  1
  Ti  Ti549  1  0.336155  0.870009  0.733512  1
  Ti  Ti550  1  0.670910  0.202280  0.758373  1
  Ti  Ti551  1  0.625290  0.365753  0.771521  1
  Ti  Ti552  1  0.675024  0.537212  0.735507  1
  Ti  Ti553  1  -0.048052  0.031624  0.772912  1
  Ti  Ti554  1  -0.005017  0.204591  0.729468  1
  Ti  Ti555  1  0.338355  0.036494  0.761674  1
  Ti  Ti556  1  0.296430  0.199250  0.772828  1
  Ti  Ti557  1  0.329271  0.370479  0.730192  1
  Ti  Ti558  1  0.671884  0.036064  0.734520  1
  Ti  Ti559  1  0.762449  0.861259  0.753649  1
  Ti  Ti560  1  0.428195  0.694565  0.754097  1
  Ti  Ti561  1  0.456566  0.855591  0.766439  1
  Ti  Ti562  1  0.763421  0.360952  0.754440  1
  Ti  Ti563  1  0.797582  0.520561  0.769253  1
  Ti  Ti564  1  0.812695  0.689456  0.744435  1
  Ti  Ti565  1  0.095389  0.528001  0.753881  1
  Ti  Ti566  1  0.131279  0.687122  0.769090  1
  Ti  Ti567  1  0.146480  0.855962  0.745149  1
  Ti  Ti568  1  0.431480  0.194460  0.752620  1
  Ti  Ti569  1  0.439458  0.358636  0.764689  1
  Ti  Ti570  1  0.480734  0.522583  0.744684  1
  Ti  Ti571  1  0.796926  0.020767  0.768092  1
  Ti  Ti572  1  0.817855  0.189062  0.745637  1
  Ti  Ti573  1  0.095315  0.027815  0.754408  1
  Ti  Ti574  1  0.099377  0.193081  0.765783  1
  Ti  Ti575  1  0.149265  0.355726  0.745318  1
  Ti  Ti576  1  0.479367  0.022791  0.744145  1
  Ti  Ti577  1  0.820562  0.814700  0.796463  1
  Ti  Ti578  1  0.487873  0.647807  0.796789  1
  Ti  Ti579  1  0.511493  0.819108  0.760982  1
  Ti  Ti580  1  0.822317  0.313988  0.796490  1
  Ti  Ti581  1  0.846161  0.483631  0.759040  1
  Ti  Ti582  1  0.826110  0.650518  0.780720  1
  Ti  Ti583  1  0.154297  0.481409  0.796520  1
  Ti  Ti584  1  0.179695  0.650116  0.758867  1
  Ti  Ti585  1  0.160152  0.816718  0.780585  1
  Ti  Ti586  1  0.486322  0.148781  0.796293  1
  Ti  Ti587  1  0.508562  0.322259  0.763135  1
  Ti  Ti588  1  0.493352  0.483475  0.780439  1
  Ti  Ti589  1  0.846505  -0.016043  0.758648  1
  Ti  Ti590  1  0.826539  0.149954  0.779885  1
  Ti  Ti591  1  0.153779  -0.018363  0.796621  1
  Ti  Ti592  1  0.173018  0.157356  0.764329  1
  Ti  Ti593  1  0.158935  0.316282  0.780485  1
  Ti  Ti594  1  0.492834  -0.015904  0.780916  1
  Ti  Ti595  1  0.825388  0.787601  0.739966  1
  Ti  Ti596  1  0.491805  0.620899  0.740011  1
  Ti  Ti597  1  0.460049  0.784578  0.772844  1
  Ti  Ti598  1  0.824129  0.287231  0.739795  1
  Ti  Ti599  1  0.786482  0.450296  0.772269  1
  Ti  Ti600  1  0.761161  0.612227  0.773750  1
  Ti  Ti601  1  0.156876  0.454109  0.739205  1
  Ti  Ti602  1  0.120815  0.617045  0.772309  1
  Ti  Ti603  1  0.094367  0.778646  0.773919  1
  Ti  Ti604  1  0.492991  0.120935  0.739649  1
  Ti  Ti605  1  0.460608  0.285561  0.772189  1
  Ti  Ti606  1  0.428439  0.445243  0.773445  1
  Ti  Ti607  1  0.786770  0.950180  0.771802  1
  Ti  Ti608  1  0.762981  0.112031  0.773220  1
  Ti  Ti609  1  0.157823  0.954284  0.739471  1
  Ti  Ti610  1  0.131531  0.119687  0.772431  1
  Ti  Ti611  1  0.091909  0.277954  0.773872  1
  Ti  Ti612  1  0.428196  0.945661  0.773792  1
  Ti  Ti613  1  -0.026877  0.772146  0.747840  1
  Ti  Ti614  1  0.640196  0.605997  0.746443  1
  Ti  Ti615  1  0.596356  0.778545  0.759002  1
  Ti  Ti616  1  -0.026984  0.273358  0.743380  1
  Ti  Ti617  1  0.927390  0.445219  0.759968  1
  Ti  Ti618  1  -0.040314  0.604749  0.783713  1
  Ti  Ti619  1  0.307311  0.438607  0.746988  1
  Ti  Ti620  1  0.262110  0.611811  0.759625  1
  Ti  Ti621  1  0.292520  0.771406  0.783591  1
  Ti  Ti622  1  0.640381  0.104561  0.749248  1
  Ti  Ti623  1  0.595129  0.278615  0.760077  1
  Ti  Ti624  1  0.624618  0.438536  0.784404  1
  Ti  Ti625  1  0.927612  0.945179  0.759833  1
  Ti  Ti626  1  -0.043287  0.104648  0.783277  1
  Ti  Ti627  1  0.307181  0.938552  0.747623  1
  Ti  Ti628  1  0.263845  0.111664  0.758814  1
  Ti  Ti629  1  0.289336  0.271720  0.783475  1
  Ti  Ti630  1  0.626411  0.938207  0.783723  1
  Ti  Ti631  1  -0.004857  0.731775  0.782716  1
  Ti  Ti632  1  0.662582  0.566121  0.781872  1
  Ti  Ti633  1  0.647089  0.753227  0.816758  1
  Ti  Ti634  1  -0.002650  0.235308  0.780143  1
  Ti  Ti635  1  -0.020166  0.421301  0.818716  1
  Ti  Ti636  1  0.009168  0.566127  0.766249  1
  Ti  Ti637  1  0.334141  0.397200  0.780724  1
  Ti  Ti638  1  0.313450  0.587966  0.818731  1
  Ti  Ti639  1  0.342659  0.732428  0.766674  1
  Ti  Ti640  1  0.664220  0.062748  0.781998  1
  Ti  Ti641  1  0.647377  0.254471  0.818828  1
  Ti  Ti642  1  0.675875  0.400207  0.767416  1
  Ti  Ti643  1  -0.019540  0.921447  0.819028  1
  Ti  Ti644  1  0.009445  0.065684  0.766961  1
  Ti  Ti645  1  0.331554  0.897163  0.781520  1
  Ti  Ti646  1  0.314494  0.086799  0.817144  1
  Ti  Ti647  1  0.342484  0.233686  0.767138  1
  Ti  Ti648  1  0.676090  0.899876  0.766520  1
  Ti  Ti649  1  0.881128  0.854799  0.783385  1
  Ti  Ti650  1  0.547861  0.688184  0.783351  1
  Ti  Ti651  1  0.527495  0.853657  0.826355  1
  Ti  Ti652  1  0.882898  0.354943  0.783444  1
  Ti  Ti653  1  0.865116  0.521939  0.830543  1
  Ti  Ti654  1  0.921239  0.695849  0.786311  1
  Ti  Ti655  1  0.214651  0.521518  0.783366  1
  Ti  Ti656  1  0.195939  0.688503  0.830559  1
  Ti  Ti657  1  0.257622  0.862619  0.786363  1
  Ti  Ti658  1  0.549180  0.188302  0.783476  1
  Ti  Ti659  1  0.527496  0.352408  0.820177  1
  Ti  Ti660  1  0.592122  0.529930  0.785797  1
  Ti  Ti661  1  0.862140  0.021525  0.829755  1
  Ti  Ti662  1  0.938283  0.197745  0.786833  1
  Ti  Ti663  1  0.215556  0.021712  0.783142  1
  Ti  Ti664  1  0.195790  0.185958  0.819472  1
  Ti  Ti665  1  0.262753  0.363235  0.787208  1
  Ti  Ti666  1  0.586696  0.028508  0.786281  1
  Ti  Ti667  1  0.778343  0.850453  0.826225  1
  Ti  Ti668  1  0.446267  0.683784  0.826641  1
  Ti  Ti669  1  0.387730  0.863193  0.823284  1
  Ti  Ti670  1  0.781707  0.349845  0.826517  1
  Ti  Ti671  1  0.721784  0.530597  0.821792  1
  Ti  Ti672  1  0.785481  0.684065  0.813355  1
  Ti  Ti673  1  0.112570  0.517229  0.826466  1
  Ti  Ti674  1  0.052787  0.697456  0.820937  1
  Ti  Ti675  1  0.121400  0.850331  0.813449  1
  Ti  Ti676  1  0.444581  0.184125  0.825933  1
  Ti  Ti677  1  0.390583  0.361535  0.828365  1
  Ti  Ti678  1  0.454305  0.517387  0.812662  1
  Ti  Ti679  1  0.720707  0.029786  0.821735  1
  Ti  Ti680  1  0.787603  0.183704  0.812440  1
  Ti  Ti681  1  0.113639  0.017345  0.826788  1
  Ti  Ti682  1  0.061972  0.192348  0.832297  1
  Ti  Ti683  1  0.121258  0.350546  0.812616  1
  Ti  Ti684  1  0.451401  0.017562  0.813455  1
  Ti  Ti685  1  0.800532  0.789178  0.848347  1
  Ti  Ti686  1  0.469032  0.622337  0.848287  1
  Ti  Ti687  1  0.472997  0.816783  0.829644  1
  Ti  Ti688  1  0.807120  0.288306  0.847808  1
  Ti  Ti689  1  0.805285  0.485962  0.826803  1
  Ti  Ti690  1  0.835815  0.621063  0.828396  1
  Ti  Ti691  1  0.136066  0.455608  0.847986  1
  Ti  Ti692  1  0.138868  0.651998  0.826508  1
  Ti  Ti693  1  0.168810  0.787778  0.828551  1
  Ti  Ti694  1  0.466670  0.122670  0.848692  1
  Ti  Ti695  1  0.470122  0.316928  0.831239  1
  Ti  Ti696  1  0.503551  0.454041  0.828043  1
  Ti  Ti697  1  0.805606  -0.014972  0.826592  1
  Ti  Ti698  1  0.833832  0.120945  0.828602  1
  Ti  Ti699  1  0.135054  0.955714  0.848294  1
  Ti  Ti700  1  0.137521  0.149711  0.832430  1
  Ti  Ti701  1  0.168707  0.286992  0.828147  1
  Ti  Ti702  1  0.502888  0.954408  0.828218  1
  Ti  Ti703  1  0.736217  0.776958  0.784530  1
  Ti  Ti704  1  0.403757  0.610557  0.784829  1
  Ti  Ti705  1  0.400885  0.778695  0.834200  1
  Ti  Ti706  1  0.738411  0.276542  0.785345  1
  Ti  Ti707  1  0.732053  0.446747  0.836495  1
  Ti  Ti708  1  0.666756  0.595925  0.826872  1
  Ti  Ti709  1  0.069146  0.443629  0.784782  1
  Ti  Ti710  1  0.065893  0.613078  0.836221  1
  Ti  Ti711  1  -0.001530  0.762325  0.826146  1
  Ti  Ti712  1  0.403925  0.110210  0.784482  1
  Ti  Ti713  1  0.397628  0.278577  0.833498  1
  Ti  Ti714  1  0.332251  0.429133  0.824111  1
  Ti  Ti715  1  0.732722  0.946119  0.836256  1
  Ti  Ti716  1  0.664423  0.094894  0.823751  1
  Ti  Ti717  1  0.069485  0.943704  0.784802  1
  Ti  Ti718  1  0.066004  0.111759  0.832487  1
  Ti  Ti719  1  0.001304  0.263395  0.829504  1
  Ti  Ti720  1  0.331379  0.928662  0.824428  1
  Ti  Ti721  1  0.887496  0.778255  0.799596  1
  Ti  Ti722  1  0.556213  0.611010  0.799080  1
  Ti  Ti723  1  0.547014  0.781780  0.828940  1
  Ti  Ti724  1  0.893028  0.277174  0.797656  1
  Ti  Ti725  1  0.873307  0.449836  0.828143  1
  Ti  Ti726  1  -0.041883  0.589925  0.842348  1
  Ti  Ti727  1  0.220932  0.445166  0.798048  1
  Ti  Ti728  1  0.210177  0.615896  0.827996  1
  Ti  Ti729  1  0.290709  0.756680  0.842389  1
  Ti  Ti730  1  0.551856  0.112362  0.799654  1
  Ti  Ti731  1  0.542171  0.282511  0.829237  1
  Ti  Ti732  1  0.629043  0.421952  0.841725  1
  Ti  Ti733  1  0.874033  0.949489  0.827971  1
  Ti  Ti734  1  -0.043310  0.089835  0.842536  1
  Ti  Ti735  1  0.219940  0.945146  0.798613  1
  Ti  Ti736  1  0.213535  0.115129  0.829112  1
  Ti  Ti737  1  0.290921  0.255890  0.842130  1
  Ti  Ti738  1  0.625848  0.923133  0.842301  1
  Ti  Ti739  1  -0.041270  0.719476  0.849051  1
  Ti  Ti740  1  0.628526  0.553472  0.847998  1
  Ti  Ti741  1  0.653830  0.708638  0.823493  1
  Ti  Ti742  1  -0.028699  0.220345  0.845602  1
  Ti  Ti743  1  -0.009687  0.376214  0.821360  1
  Ti  Ti744  1  -0.010008  0.545958  0.831076  1
  Ti  Ti745  1  0.298645  0.387059  0.847480  1
  Ti  Ti746  1  0.322546  0.542835  0.821106  1
  Ti  Ti747  1  0.322516  0.712420  0.831097  1
  Ti  Ti748  1  0.626464  0.052182  0.848889  1
  Ti  Ti749  1  0.657257  0.209666  0.820344  1
  Ti  Ti750  1  0.657411  0.377737  0.831845  1
  Ti  Ti751  1  -0.009211  0.876301  0.819971  1
  Ti  Ti752  1  -0.010655  0.045731  0.831211  1
  Ti  Ti753  1  0.295704  0.886347  0.848999  1
  Ti  Ti754  1  0.320452  0.042226  0.824139  1
  Ti  Ti755  1  0.322334  0.212306  0.832920  1
  Ti  Ti756  1  0.655401  0.878954  0.831295  1
  Nb  Nb757  1  0.065685  0.750045  0.473224  1
  Nb  Nb758  1  0.730939  0.583635  0.472122  1
  Nb  Nb759  1  0.727476  0.752763  0.483548  1
  Nb  Nb760  1  0.063417  0.250300  0.471094  1
  Nb  Nb761  1  0.060500  0.419286  0.483779  1
  Nb  Nb762  1  0.067472  0.583826  0.459407  1
  Nb  Nb763  1  0.398627  0.416593  0.472144  1
  Nb  Nb764  1  0.394052  0.586090  0.483505  1
  Nb  Nb765  1  0.400766  0.750618  0.459302  1
  Nb  Nb766  1  0.731797  0.083577  0.473531  1
  Nb  Nb767  1  0.728136  0.253503  0.483859  1
  Nb  Nb768  1  0.734203  0.417157  0.459773  1
  Nb  Nb769  1  0.060846  0.919880  0.483675  1
  Nb  Nb770  1  0.067384  0.083650  0.459502  1
  Nb  Nb771  1  0.397900  0.917243  0.472388  1
  Nb  Nb772  1  0.394015  0.085117  0.483589  1
  Nb  Nb773  1  0.401358  0.250015  0.459860  1
  Nb  Nb774  1  0.734340  0.917096  0.459955  1
  Nb  Nb775  1  0.229054  0.834483  0.497134  1
  Nb  Nb776  1  0.896834  0.667794  0.497829  1
  Nb  Nb777  1  0.901452  0.831991  0.479016  1
  Nb  Nb778  1  0.228991  0.334534  0.498309  1
  Nb  Nb779  1  0.235726  0.498888  0.478957  1
  Nb  Nb780  1  0.227419  0.665970  0.478878  1
  Nb  Nb781  1  0.562636  0.501087  0.497697  1
  Nb  Nb782  1  0.569827  0.665808  0.479240  1
  Nb  Nb783  1  0.559385  0.832552  0.479025  1
  Nb  Nb784  1  0.896001  0.167534  0.497739  1
  Nb  Nb785  1  0.901520  0.332269  0.479447  1
  Nb  Nb786  1  0.893899  0.499078  0.478819  1
  Nb  Nb787  1  0.235190  -0.001059  0.479032  1
  Nb  Nb788  1  0.231277  0.165404  0.479186  1
  Nb  Nb789  1  0.562886  0.001053  0.497303  1
  Nb  Nb790  1  0.571163  0.165573  0.479128  1
  Nb  Nb791  1  0.557930  0.332594  0.478757  1
  Nb  Nb792  1  0.892344  -0.000590  0.479042  1
  Nb  Nb793  1  0.041221  0.750790  0.531864  1
  Nb  Nb794  1  0.708687  0.583762  0.531057  1
  Nb  Nb795  1  0.698426  0.749232  0.541866  1
  Nb  Nb796  1  0.043478  0.250099  0.530163  1
  Nb  Nb797  1  0.032013  0.415849  0.542224  1
  Nb  Nb798  1  0.039317  0.582878  0.518263  1
  Nb  Nb799  1  0.374605  0.417330  0.530988  1
  Nb  Nb800  1  0.365090  0.582595  0.541857  1
  Nb  Nb801  1  0.372962  0.749643  0.518153  1
  Nb  Nb802  1  0.709060  0.084082  0.532201  1
  Nb  Nb803  1  0.698576  0.249367  0.542108  1
  Nb  Nb804  1  0.705438  0.416241  0.518620  1
  Nb  Nb805  1  0.031841  0.915855  0.541875  1
  Nb  Nb806  1  0.039397  0.082900  0.518337  1
  Nb  Nb807  1  0.375121  0.917208  0.531060  1
  Nb  Nb808  1  0.365879  0.082951  0.542181  1
  Nb  Nb809  1  0.372299  0.249400  0.518687  1
  Nb  Nb810  1  0.705536  0.916228  0.518751  1
  Nb  Nb811  1  0.185222  0.833101  0.552969  1
  Nb  Nb812  1  0.851907  0.666136  0.553442  1
  Nb  Nb813  1  0.871168  0.834696  0.536878  1
  Nb  Nb814  1  0.184598  0.332986  0.554037  1
  Nb  Nb815  1  0.204838  0.501396  0.536749  1
  Nb  Nb816  1  0.203232  0.667169  0.538813  1
  Nb  Nb817  1  0.518456  0.499545  0.553408  1
  Nb  Nb818  1  0.538106  0.668090  0.536948  1
  Nb  Nb819  1  0.534845  0.834014  0.538891  1
  Nb  Nb820  1  0.851897  0.166210  0.553642  1
  Nb  Nb821  1  0.870948  0.334778  0.537246  1
  Nb  Nb822  1  0.868729  0.500571  0.538522  1
  Nb  Nb823  1  0.204811  0.001467  0.536893  1
  Nb  Nb824  1  0.201565  0.167126  0.538692  1
  Nb  Nb825  1  0.519004  -0.000391  0.553106  1
  Nb  Nb826  1  0.538592  0.168244  0.536785  1
  Nb  Nb827  1  0.534601  0.333960  0.538697  1
  Nb  Nb828  1  0.868110  0.000724  0.538924  1
  Nb  Nb829  1  -0.011205  0.746554  0.587060  1
  Nb  Nb830  1  0.656294  0.580824  0.586946  1
  Nb  Nb831  1  0.651489  0.747546  0.599529  1
  Nb  Nb832  1  -0.008973  0.247130  0.585816  1
  Nb  Nb833  1  -0.015979  0.414463  0.599652  1
  Nb  Nb834  1  0.001923  0.583960  0.577739  1
  Nb  Nb835  1  0.323299  0.413471  0.586561  1
  Nb  Nb836  1  0.318099  0.580917  0.599429  1
  Nb  Nb837  1  0.335108  0.750645  0.577520  1
  Nb  Nb838  1  0.655253  0.079824  0.587265  1
  Nb  Nb839  1  0.650305  0.247804  0.599552  1
  Nb  Nb840  1  0.667659  0.417266  0.578132  1
  Nb  Nb841  1  -0.015406  0.914292  0.599460  1
  Nb  Nb842  1  0.001418  0.084021  0.577672  1
  Nb  Nb843  1  0.323209  0.913483  0.586489  1
  Nb  Nb844  1  0.317967  0.081333  0.599372  1
  Nb  Nb845  1  0.334704  0.250817  0.578110  1
  Nb  Nb846  1  0.668078  0.917282  0.578202  1
  Nb  Nb847  1  0.135690  0.829687  0.610452  1
  Nb  Nb848  1  0.800497  0.662811  0.611321  1
  Nb  Nb849  1  0.821175  0.831226  0.593229  1
  Nb  Nb850  1  0.134001  0.329334  0.611517  1
  Nb  Nb851  1  0.154994  0.497627  0.592934  1
  Nb  Nb852  1  0.147069  0.662161  0.594882  1
  Nb  Nb853  1  0.469063  0.496003  0.610991  1
  Nb  Nb854  1  0.487960  0.664319  0.593098  1
  Nb  Nb855  1  0.480359  0.828746  0.594966  1
  Nb  Nb856  1  0.801502  0.162759  0.610910  1
  Nb  Nb857  1  0.820268  0.331130  0.593318  1
  Nb  Nb858  1  0.813905  0.495327  0.594549  1
  Nb  Nb859  1  0.154842  -0.002255  0.593034  1
  Nb  Nb860  1  0.147380  0.161846  0.594688  1
  Nb  Nb861  1  0.469016  -0.003573  0.610649  1
  Nb  Nb862  1  0.488833  0.164190  0.593133  1
  Nb  Nb863  1  0.480628  0.328658  0.594950  1
  Nb  Nb864  1  0.814156  -0.004909  0.595040  1
  Nb  Nb865  1  0.943426  0.742315  0.643875  1
  Nb  Nb866  1  0.610121  0.575647  0.643291  1
  Nb  Nb867  1  0.593253  0.745313  0.653352  1
  Nb  Nb868  1  0.943508  0.242280  0.642166  1
  Nb  Nb869  1  0.926363  0.411743  0.653498  1
  Nb  Nb870  1  -0.052779  0.575119  0.630567  1
  Nb  Nb871  1  0.276722  0.408769  0.643071  1
  Nb  Nb872  1  0.260095  0.578441  0.653136  1
  Nb  Nb873  1  0.281015  0.741743  0.630339  1
  Nb  Nb874  1  0.610315  0.075210  0.644057  1
  Nb  Nb875  1  0.592792  0.245006  0.653505  1
  Nb  Nb876  1  0.613907  0.407571  0.630832  1
  Nb  Nb877  1  0.926982  0.911646  0.653321  1
  Nb  Nb878  1  -0.051710  0.074105  0.629933  1
  Nb  Nb879  1  0.276923  0.908981  0.643115  1
  Nb  Nb880  1  0.261276  0.079218  0.653199  1
  Nb  Nb881  1  0.280783  0.241174  0.630418  1
  Nb  Nb882  1  0.613818  0.907864  0.630420  1
  Nb  Nb883  1  0.087133  0.826407  0.667141  1
  Nb  Nb884  1  0.753629  0.659722  0.667713  1
  Nb  Nb885  1  0.766600  0.827954  0.648505  1
  Nb  Nb886  1  0.086043  0.326202  0.668199  1
  Nb  Nb887  1  0.100158  0.494578  0.648322  1
  Nb  Nb888  1  0.091272  0.661649  0.650839  1
  Nb  Nb889  1  0.420147  0.493612  0.667813  1
  Nb  Nb890  1  0.433032  0.661292  0.648457  1
  Nb  Nb891  1  0.424999  0.828552  0.650887  1
  Nb  Nb892  1  0.753332  0.159433  0.667594  1
  Nb  Nb893  1  0.765300  0.328251  0.648751  1
  Nb  Nb894  1  0.758411  0.495006  0.650412  1
  Nb  Nb895  1  0.099972  -0.005287  0.648378  1
  Nb  Nb896  1  0.091888  0.162163  0.650640  1
  Nb  Nb897  1  0.421800  -0.007308  0.667479  1
  Nb  Nb898  1  0.433921  0.160740  0.648586  1
  Nb  Nb899  1  0.425136  0.328533  0.650929  1
  Nb  Nb900  1  0.758406  -0.005132  0.650913  1
  Nb  Nb901  1  0.886961  0.741388  0.699397  1
  Nb  Nb902  1  0.553438  0.574759  0.698844  1
  Nb  Nb903  1  0.544424  0.739186  0.709425  1
  Nb  Nb904  1  0.886962  0.241440  0.697836  1
  Nb  Nb905  1  0.878467  0.405531  0.709521  1
  Nb  Nb906  1  0.896248  0.574352  0.686989  1
  Nb  Nb907  1  0.220493  0.408170  0.698831  1
  Nb  Nb908  1  0.211722  0.572401  0.709103  1
  Nb  Nb909  1  0.230416  0.741249  0.686818  1
  Nb  Nb910  1  0.553807  0.074584  0.699619  1
  Nb  Nb911  1  0.545434  0.238774  0.709455  1
  Nb  Nb912  1  0.562380  0.407765  0.687094  1
  Nb  Nb913  1  0.878219  0.905762  0.709158  1
  Nb  Nb914  1  0.897407  0.074677  0.686946  1
  Nb  Nb915  1  0.219990  0.908302  0.698609  1
  Nb  Nb916  1  0.212434  0.071957  0.708819  1
  Nb  Nb917  1  0.229700  0.241319  0.687360  1
  Nb  Nb918  1  0.562410  0.907593  0.687300  1
  Nb  Nb919  1  0.029446  0.820089  0.719747  1
  Nb  Nb920  1  0.695049  0.654175  0.720262  1
  Nb  Nb921  1  0.711004  0.822607  0.702184  1
  Nb  Nb922  1  0.027140  0.320196  0.720430  1
  Nb  Nb923  1  0.044342  0.489756  0.702213  1
  Nb  Nb924  1  0.043779  0.657347  0.707566  1
  Nb  Nb925  1  0.361850  0.486726  0.720062  1
  Nb  Nb926  1  0.377448  0.656032  0.702295  1
  Nb  Nb927  1  0.377358  0.823611  0.707236  1
  Nb  Nb928  1  0.695058  0.153072  0.719914  1
  Nb  Nb929  1  0.710871  0.322761  0.702895  1
  Nb  Nb930  1  0.710935  0.490650  0.706975  1
  Nb  Nb931  1  0.044620  -0.010366  0.702348  1
  Nb  Nb932  1  0.044640  0.156662  0.706627  1
  Nb  Nb933  1  0.362373  -0.012518  0.720061  1
  Nb  Nb934  1  0.377817  0.155950  0.702503  1
  Nb  Nb935  1  0.377269  0.323571  0.707125  1
  Nb  Nb936  1  0.710922  -0.009354  0.707693  1
  Nb  Nb937  1  0.834411  0.735779  0.754945  1
  Nb  Nb938  1  0.500588  0.569135  0.754536  1
  Nb  Nb939  1  0.496443  0.736618  0.765914  1
  Nb  Nb940  1  0.833944  0.235550  0.753680  1
  Nb  Nb941  1  0.828670  0.403629  0.766129  1
  Nb  Nb942  1  0.849960  0.570558  0.745730  1
  Nb  Nb943  1  0.167466  0.402455  0.754384  1
  Nb  Nb944  1  0.162718  0.570308  0.765817  1
  Nb  Nb945  1  0.184666  0.737415  0.745146  1
  Nb  Nb946  1  0.501370  0.068944  0.755043  1
  Nb  Nb947  1  0.494961  0.236801  0.765749  1
  Nb  Nb948  1  0.517691  0.403947  0.746076  1
  Nb  Nb949  1  0.829079  0.903610  0.765904  1
  Nb  Nb950  1  0.851264  0.070615  0.745307  1
  Nb  Nb951  1  0.167267  0.902436  0.754211  1
  Nb  Nb952  1  0.163342  0.070034  0.765434  1
  Nb  Nb953  1  0.184129  0.237263  0.746247  1
  Nb  Nb954  1  0.516782  0.903949  0.746133  1
  Nb  Nb955  1  -0.008150  0.817395  0.778486  1
  Nb  Nb956  1  0.657754  0.650581  0.778884  1
  Nb  Nb957  1  0.665447  0.820464  0.760482  1
  Nb  Nb958  1  -0.008535  0.317142  0.779211  1
  Nb  Nb959  1  0.000063  0.487250  0.760807  1
  Nb  Nb960  1  0.001490  0.651886  0.765003  1
  Nb  Nb961  1  0.325312  0.483985  0.778898  1
  Nb  Nb962  1  0.333139  0.654056  0.760996  1
  Nb  Nb963  1  0.335687  0.818453  0.764881  1
  Nb  Nb964  1  0.658437  0.150644  0.778763  1
  Nb  Nb965  1  0.664796  0.319667  0.761034  1
  Nb  Nb966  1  0.668794  0.485396  0.764522  1
  Nb  Nb967  1  -0.000065  -0.012903  0.760887  1
  Nb  Nb968  1  0.002100  0.151563  0.764237  1
  Nb  Nb969  1  0.324769  -0.015895  0.778638  1
  Nb  Nb970  1  0.331059  0.152932  0.760512  1
  Nb  Nb971  1  0.335266  0.318551  0.764821  1
  Nb  Nb972  1  0.668704  -0.014875  0.765209  1
  Nb  Nb973  1  0.814210  0.735446  0.814823  1
  Nb  Nb974  1  0.480220  0.568960  0.814383  1
  Nb  Nb975  1  0.478713  0.734165  0.824556  1
  Nb  Nb976  1  0.818311  0.234530  0.813757  1
  Nb  Nb977  1  0.813557  0.400579  0.824756  1
  Nb  Nb978  1  0.816281  0.569438  0.803606  1
  Nb  Nb979  1  0.150990  0.401807  0.814255  1
  Nb  Nb980  1  0.145667  0.567570  0.824421  1
  Nb  Nb981  1  0.149713  0.736120  0.803187  1
  Nb  Nb982  1  0.482718  0.068803  0.814937  1
  Nb  Nb983  1  0.479580  0.234122  0.824406  1
  Nb  Nb984  1  0.484029  0.401952  0.804093  1
  Nb  Nb985  1  0.813402  0.900227  0.824750  1
  Nb  Nb986  1  0.816767  0.069197  0.803232  1
  Nb  Nb987  1  0.150845  0.901801  0.814155  1
  Nb  Nb988  1  0.145483  0.067873  0.824081  1
  Nb  Nb989  1  0.148277  0.234651  0.803898  1
  Nb  Nb990  1  0.483459  0.902654  0.804108  1
  Nb  Nb991  1  -0.023517  0.818855  0.837535  1
  Nb  Nb992  1  0.643014  0.651683  0.838100  1
  Nb  Nb993  1  0.651297  0.818471  0.820145  1
  Nb  Nb994  1  -0.022698  0.318723  0.838265  1
  Nb  Nb995  1  -0.015625  0.485268  0.820305  1
  Nb  Nb996  1  -0.032238  0.655687  0.823068  1
  Nb  Nb997  1  0.310763  0.485547  0.837982  1
  Nb  Nb998  1  0.317537  0.652096  0.820530  1
  Nb  Nb999  1  0.302385  0.822247  0.822845  1
  Nb  Nb1000  1  0.643242  0.152115  0.837775  1
  Nb  Nb1001  1  0.654000  0.317759  0.820908  1
  Nb  Nb1002  1  0.634291  0.489130  0.822489  1
  Nb  Nb1003  1  -0.015812  -0.014510  0.820449  1
  Nb  Nb1004  1  -0.035002  0.154921  0.821826  1
  Nb  Nb1005  1  0.309979  -0.014891  0.837897  1
  Nb  Nb1006  1  0.318559  0.151414  0.820418  1
  Nb  Nb1007  1  0.299639  0.321978  0.822595  1
  Nb  Nb1008  1  0.634834  -0.011148  0.823309  1
