# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.03389859
_cell_length_b   29.43494034
_cell_length_c   44.99410964
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.11316772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti378 Nb126'
_cell_volume   23758.1213373
_cell_formula_units_Z   126
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  -0.034891  0.759542  0.393790  1
  Ti  Ti2  1  0.285283  0.429898  0.394851  1
  Ti  Ti3  1  0.271719  0.733936  0.376646  1
  Ti  Ti4  1  0.612826  0.749837  0.421623  1
  Ti  Ti5  1  0.938786  0.414671  0.417272  1
  Ti  Ti6  1  0.287781  0.082461  0.422301  1
  Ti  Ti7  1  0.617978  0.094475  0.392342  1
  Ti  Ti8  1  0.607807  0.405204  0.379105  1
  Ti  Ti9  1  0.934927  0.077362  0.385394  1
  Ti  Ti10  1  0.789078  0.761141  0.431698  1
  Ti  Ti11  1  0.141028  0.428037  0.429967  1
  Ti  Ti12  1  0.125225  0.757209  0.383526  1
  Ti  Ti13  1  0.525823  0.780199  0.380097  1
  Ti  Ti14  1  0.854866  0.447837  0.378020  1
  Ti  Ti15  1  0.192872  0.114459  0.381999  1
  Ti  Ti16  1  0.452711  0.091847  0.426199  1
  Ti  Ti17  1  0.460156  0.422642  0.383312  1
  Ti  Ti18  1  0.783751  0.087496  0.383428  1
  Ti  Ti19  1  0.673651  0.711651  0.371868  1
  Ti  Ti20  1  0.011327  0.378347  0.369426  1
  Ti  Ti21  1  0.049598  0.676286  0.395367  1
  Ti  Ti22  1  0.424238  0.716634  0.378343  1
  Ti  Ti23  1  0.755635  0.383562  0.379653  1
  Ti  Ti24  1  0.087757  0.056372  0.377552  1
  Ti  Ti25  1  0.338731  0.043456  0.371623  1
  Ti  Ti26  1  0.380158  0.347388  0.393661  1
  Ti  Ti27  1  0.712558  0.010395  0.391159  1
  Ti  Ti28  1  0.722804  0.614766  0.380511  1
  Ti  Ti29  1  0.053573  0.283381  0.379288  1
  Ti  Ti30  1  0.106649  0.588127  0.380858  1
  Ti  Ti31  1  0.389402  0.616403  0.390831  1
  Ti  Ti32  1  0.717101  0.285859  0.390929  1
  Ti  Ti33  1  0.082079  0.933353  0.396954  1
  Ti  Ti34  1  0.382421  0.945905  0.378545  1
  Ti  Ti35  1  0.435504  0.260777  0.375473  1
  Ti  Ti36  1  0.767822  0.924465  0.375960  1
  Ti  Ti37  1  -0.039646  0.601904  0.370222  1
  Ti  Ti38  1  0.291989  0.268817  0.369054  1
  Ti  Ti39  1  0.241177  0.578624  0.392767  1
  Ti  Ti40  1  0.531286  0.579962  0.383834  1
  Ti  Ti41  1  0.855390  0.243690  0.382962  1
  Ti  Ti42  1  0.230278  0.919071  0.384331  1
  Ti  Ti43  1  0.623933  0.933784  0.368801  1
  Ti  Ti44  1  0.558766  0.239127  0.395519  1
  Ti  Ti45  1  0.893499  0.903460  0.391469  1
  Ti  Ti46  1  0.846080  0.546568  0.365258  1
  Ti  Ti47  1  0.178594  0.216822  0.363070  1
  Ti  Ti48  1  0.204376  0.502045  0.366521  1
  Ti  Ti49  1  0.505338  0.499877  0.400449  1
  Ti  Ti50  1  0.838950  0.163056  0.400071  1
  Ti  Ti51  1  0.168137  0.839256  0.397716  1
  Ti  Ti52  1  0.510779  0.879453  0.362389  1
  Ti  Ti53  1  0.534363  0.164811  0.366646  1
  Ti  Ti54  1  0.872590  0.824839  0.365702  1
  Ti  Ti55  1  0.924024  0.754132  0.455585  1
  Ti  Ti56  1  0.258815  0.419455  0.457091  1
  Ti  Ti57  1  0.220525  0.758933  0.430653  1
  Ti  Ti58  1  0.558691  0.753174  0.473699  1
  Ti  Ti59  1  0.897366  0.419644  0.470614  1
  Ti  Ti60  1  0.233155  0.085542  0.474401  1
  Ti  Ti61  1  0.578422  0.084666  0.455992  1
  Ti  Ti62  1  0.556555  0.424740  0.433216  1
  Ti  Ti63  1  0.867497  0.089858  0.435864  1
  Ti  Ti64  1  0.707280  0.738074  0.469656  1
  Ti  Ti65  1  0.045096  0.404128  0.465778  1
  Ti  Ti66  1  0.069775  0.745287  0.436609  1
  Ti  Ti67  1  0.456451  0.749093  0.433616  1
  Ti  Ti68  1  0.789075  0.417260  0.434357  1
  Ti  Ti69  1  0.118323  0.081746  0.434578  1
  Ti  Ti70  1  0.383135  0.071260  0.468572  1
  Ti  Ti71  1  0.399925  0.411115  0.435199  1
  Ti  Ti72  1  0.718191  0.069678  0.434926  1
  Ti  Ti73  1  0.703290  0.685319  0.423696  1
  Ti  Ti74  1  0.040741  0.356278  0.421499  1
  Ti  Ti75  1  0.013658  0.680568  0.459172  1
  Ti  Ti76  1  0.348049  0.691193  0.419569  1
  Ti  Ti77  1  0.683211  0.359746  0.422800  1
  Ti  Ti78  1  0.023394  0.014785  0.415679  1
  Ti  Ti79  1  0.370918  0.013703  0.423096  1
  Ti  Ti80  1  0.346723  0.347413  0.459041  1
  Ti  Ti81  1  0.674982  0.011309  0.466870  1
  Ti  Ti82  1  0.712921  0.597618  0.433989  1
  Ti  Ti83  1  0.039908  0.266671  0.433709  1
  Ti  Ti84  1  0.012691  0.606615  0.426243  1
  Ti  Ti85  1  0.375946  0.613079  0.449019  1
  Ti  Ti86  1  0.708366  0.277053  0.448871  1
  Ti  Ti87  1  0.042357  0.947452  0.454783  1
  Ti  Ti88  1  0.372471  0.929445  0.433172  1
  Ti  Ti89  1  0.364249  0.276403  0.425218  1
  Ti  Ti90  1  0.691512  0.945614  0.426026  1
  Ti  Ti91  1  0.852004  0.571296  0.412176  1
  Ti  Ti92  1  0.169597  0.232274  0.411813  1
  Ti  Ti93  1  0.141883  0.567198  0.442093  1
  Ti  Ti94  1  0.517625  0.559319  0.442063  1
  Ti  Ti95  1  0.850159  0.226929  0.440603  1
  Ti  Ti96  1  0.184917  0.895302  0.439632  1
  Ti  Ti97  1  0.505552  0.899799  0.410375  1
  Ti  Ti98  1  0.483163  0.228683  0.445941  1
  Ti  Ti99  1  0.813609  0.896174  0.442687  1
  Ti  Ti100  1  0.842750  0.490522  0.431617  1
  Ti  Ti101  1  0.176950  0.150982  0.435591  1
  Ti  Ti102  1  0.193605  0.498043  0.420742  1
  Ti  Ti103  1  0.487624  0.475332  0.462960  1
  Ti  Ti104  1  0.822810  0.149123  0.463968  1
  Ti  Ti105  1  0.154265  0.813846  0.459812  1
  Ti  Ti106  1  0.507428  0.821107  0.433789  1
  Ti  Ti107  1  0.522497  0.157235  0.421763  1
  Ti  Ti108  1  0.858540  0.823530  0.419952  1
  Ti  Ti109  1  0.828852  0.753669  0.500077  1
  Ti  Ti110  1  0.157989  0.419058  0.498341  1
  Ti  Ti111  1  0.198091  0.747953  0.493368  1
  Ti  Ti112  1  0.450402  0.751968  0.505407  1
  Ti  Ti113  1  0.799264  0.417906  0.506367  1
  Ti  Ti114  1  0.109937  0.079754  0.497393  1
  Ti  Ti115  1  0.495627  0.084318  0.504909  1
  Ti  Ti116  1  0.535276  0.413273  0.495633  1
  Ti  Ti117  1  0.868238  0.079994  0.497063  1
  Ti  Ti118  1  0.642085  0.714160  0.518451  1
  Ti  Ti119  1  -0.022460  0.382216  0.516525  1
  Ti  Ti120  1  0.062874  0.743085  0.493595  1
  Ti  Ti121  1  0.347731  0.726330  0.465143  1
  Ti  Ti122  1  0.684587  0.392158  0.469032  1
  Ti  Ti123  1  0.002444  0.055824  0.460711  1
  Ti  Ti124  1  0.313423  0.049101  0.518489  1
  Ti  Ti125  1  0.400730  0.410326  0.493649  1
  Ti  Ti126  1  0.736773  0.077333  0.492682  1
  Ti  Ti127  1  0.671085  0.660269  0.478324  1
  Ti  Ti128  1  0.005262  0.329939  0.475955  1
  Ti  Ti129  1  -0.035921  0.702418  0.513706  1
  Ti  Ti130  1  0.319738  0.693288  0.506758  1
  Ti  Ti131  1  0.647771  0.360512  0.511093  1
  Ti  Ti132  1  -0.008383  0.027104  0.506205  1
  Ti  Ti133  1  0.341388  0.994400  0.478675  1
  Ti  Ti134  1  0.297166  0.370455  0.511793  1
  Ti  Ti135  1  0.634516  0.039307  0.516938  1
  Ti  Ti136  1  0.690888  0.580212  0.486550  1
  Ti  Ti137  1  0.018163  0.247641  0.486090  1
  Ti  Ti138  1  0.022770  0.597494  0.481194  1
  Ti  Ti139  1  0.339081  0.599307  0.498854  1
  Ti  Ti140  1  0.666387  0.265777  0.498215  1
  Ti  Ti141  1  -0.002133  0.933544  0.502694  1
  Ti  Ti142  1  0.357324  0.913675  0.486783  1
  Ti  Ti143  1  0.360688  0.265271  0.482626  1
  Ti  Ti144  1  0.699544  0.926929  0.482056  1
  Ti  Ti145  1  0.832313  0.562573  0.466240  1
  Ti  Ti146  1  0.154648  0.226207  0.466543  1
  Ti  Ti147  1  0.166560  0.559150  0.497349  1
  Ti  Ti148  1  0.487844  0.555384  0.493804  1
  Ti  Ti149  1  0.817023  0.223588  0.493725  1
  Ti  Ti150  1  0.149197  0.890663  0.491767  1
  Ti  Ti151  1  0.492445  0.895748  0.465932  1
  Ti  Ti152  1  0.502723  0.223577  0.498576  1
  Ti  Ti153  1  0.839868  0.892169  0.498122  1
  Ti  Ti154  1  0.806235  0.490508  0.488306  1
  Ti  Ti155  1  0.140462  0.154266  0.492761  1
  Ti  Ti156  1  0.145778  0.488926  0.474827  1
  Ti  Ti157  1  0.452604  0.484830  0.519355  1
  Ti  Ti158  1  0.785261  0.151358  0.520434  1
  Ti  Ti159  1  0.120333  0.818326  0.517783  1
  Ti  Ti160  1  0.470010  0.825002  0.490128  1
  Ti  Ti161  1  0.473045  0.147930  0.475606  1
  Ti  Ti162  1  0.809812  0.821461  0.474849  1
  Ti  Ti163  1  0.765478  0.758356  0.545388  1
  Ti  Ti164  1  0.099163  0.425879  0.544763  1
  Ti  Ti165  1  0.111971  0.748617  0.547464  1
  Ti  Ti166  1  0.442093  0.759011  0.555733  1
  Ti  Ti167  1  0.772624  0.426349  0.555162  1
  Ti  Ti168  1  0.113372  0.097787  0.547139  1
  Ti  Ti169  1  0.428503  0.095592  0.548091  1
  Ti  Ti170  1  0.445364  0.414424  0.548167  1
  Ti  Ti171  1  0.777741  0.080397  0.548350  1
  Ti  Ti172  1  0.575519  0.704308  0.560369  1
  Ti  Ti173  1  0.910956  0.372186  0.558323  1
  Ti  Ti174  1  0.921221  0.695277  0.564108  1
  Ti  Ti175  1  0.251427  0.697836  0.548697  1
  Ti  Ti176  1  0.579955  0.359266  0.554884  1
  Ti  Ti177  1  0.921269  0.031203  0.549161  1
  Ti  Ti178  1  0.242170  0.040343  0.559786  1
  Ti  Ti179  1  0.261533  0.358627  0.560953  1
  Ti  Ti180  1  0.589705  0.026949  0.565052  1
  Ti  Ti181  1  0.628119  0.605155  0.528993  1
  Ti  Ti182  1  -0.038562  0.278860  0.527899  1
  Ti  Ti183  1  0.921859  0.589143  0.573467  1
  Ti  Ti184  1  0.286060  0.591571  0.545820  1
  Ti  Ti185  1  0.617163  0.257574  0.545726  1
  Ti  Ti186  1  0.953550  0.922565  0.550284  1
  Ti  Ti187  1  0.299296  0.938775  0.529964  1
  Ti  Ti188  1  0.259176  0.257095  0.572724  1
  Ti  Ti189  1  0.590961  0.921440  0.572656  1
  Ti  Ti190  1  0.581415  0.563861  0.565501  1
  Ti  Ti191  1  0.916187  0.231998  0.561399  1
  Ti  Ti192  1  0.956552  0.592790  0.524875  1
  Ti  Ti193  1  0.215425  0.567088  0.583558  1
  Ti  Ti194  1  0.555431  0.234287  0.585044  1
  Ti  Ti195  1  0.877689  0.898638  0.584733  1
  Ti  Ti196  1  0.251748  0.896257  0.565485  1
  Ti  Ti197  1  0.289738  0.259383  0.524424  1
  Ti  Ti198  1  0.625763  0.927745  0.523967  1
  Ti  Ti199  1  0.808761  0.553162  0.522863  1
  Ti  Ti200  1  0.137186  0.220944  0.523295  1
  Ti  Ti201  1  0.064137  0.525922  0.583276  1
  Ti  Ti202  1  0.440248  0.556256  0.544541  1
  Ti  Ti203  1  0.770929  0.222250  0.544808  1
  Ti  Ti204  1  0.111462  0.888785  0.543295  1
  Ti  Ti205  1  0.474631  0.887869  0.523741  1
  Ti  Ti206  1  0.398434  0.193565  0.582983  1
  Ti  Ti207  1  0.733556  0.860779  0.581817  1
  Ti  Ti208  1  0.739329  0.529840  0.559222  1
  Ti  Ti209  1  0.070575  0.197062  0.561124  1
  Ti  Ti210  1  0.099469  0.530901  0.534733  1
  Ti  Ti211  1  0.391571  0.511458  0.578108  1
  Ti  Ti212  1  0.728505  0.177514  0.580356  1
  Ti  Ti213  1  0.062418  0.846720  0.578925  1
  Ti  Ti214  1  0.406566  0.860858  0.561514  1
  Ti  Ti215  1  0.430660  0.197055  0.534398  1
  Ti  Ti216  1  0.765509  0.862612  0.532903  1
  Ti  Ti217  1  0.622460  0.709976  0.614338  1
  Ti  Ti218  1  -0.041312  0.375860  0.613955  1
  Ti  Ti219  1  0.049143  0.736955  0.590588  1
  Ti  Ti220  1  0.334425  0.723962  0.638093  1
  Ti  Ti221  1  0.678025  0.399903  0.642772  1
  Ti  Ti222  1  0.006323  0.064588  0.636067  1
  Ti  Ti223  1  0.290223  0.043783  0.613617  1
  Ti  Ti224  1  0.377288  0.404057  0.589898  1
  Ti  Ti225  1  0.712793  0.071649  0.590651  1
  Ti  Ti226  1  0.488217  0.705621  0.614137  1
  Ti  Ti227  1  0.822631  0.374884  0.609918  1
  Ti  Ti228  1  0.865881  0.699067  0.610871  1
  Ti  Ti229  1  0.227118  0.697409  0.597473  1
  Ti  Ti230  1  0.569084  0.370892  0.605250  1
  Ti  Ti231  1  0.896561  0.032530  0.598369  1
  Ti  Ti232  1  0.156543  0.039974  0.613231  1
  Ti  Ti233  1  0.192884  0.367329  0.603642  1
  Ti  Ti234  1  0.529146  0.034688  0.610724  1
  Ti  Ti235  1  0.568327  0.634844  0.590375  1
  Ti  Ti236  1  0.904432  0.303250  0.587466  1
  Ti  Ti237  1  0.876769  0.627357  0.632537  1
  Ti  Ti238  1  0.218898  0.627010  0.619874  1
  Ti  Ti239  1  0.550670  0.297842  0.618397  1
  Ti  Ti240  1  0.885743  0.961642  0.618796  1
  Ti  Ti241  1  0.237407  0.969045  0.588467  1
  Ti  Ti242  1  0.215085  0.306766  0.634090  1
  Ti  Ti243  1  0.544731  0.963992  0.632105  1
  Ti  Ti244  1  0.538283  0.562822  0.616387  1
  Ti  Ti245  1  0.872600  0.230859  0.613637  1
  Ti  Ti246  1  0.854320  0.558996  0.609748  1
  Ti  Ti247  1  0.188600  0.556368  0.640978  1
  Ti  Ti248  1  0.535079  0.225849  0.642093  1
  Ti  Ti249  1  0.859074  0.891065  0.641251  1
  Ti  Ti250  1  0.201191  0.896680  0.614648  1
  Ti  Ti251  1  0.193399  0.230897  0.610070  1
  Ti  Ti252  1  0.520743  0.893327  0.608779  1
  Ti  Ti253  1  0.691142  0.518035  0.606130  1
  Ti  Ti254  1  0.022681  0.183162  0.608872  1
  Ti  Ti255  1  -0.000282  0.522013  0.627228  1
  Ti  Ti256  1  0.330007  0.539007  0.620384  1
  Ti  Ti257  1  0.672197  0.206522  0.622625  1
  Ti  Ti258  1  -0.001643  0.873693  0.620523  1
  Ti  Ti259  1  0.354429  0.853985  0.608430  1
  Ti  Ti260  1  0.330814  0.186014  0.625972  1
  Ti  Ti261  1  0.668514  0.854539  0.625459  1
  Ti  Ti262  1  0.701596  0.422723  0.597375  1
  Ti  Ti263  1  0.048617  0.088545  0.590762  1
  Ti  Ti264  1  0.056920  0.416719  0.594804  1
  Ti  Ti265  1  0.349251  0.458376  0.629832  1
  Ti  Ti266  1  0.683550  0.124524  0.631289  1
  Ti  Ti267  1  0.017224  0.792768  0.629644  1
  Ti  Ti268  1  0.375932  0.762359  0.599471  1
  Ti  Ti269  1  0.391860  0.084556  0.597102  1
  Ti  Ti270  1  0.727713  0.748140  0.595724  1
  Ti  Ti271  1  0.617258  0.707469  0.671921  1
  Ti  Ti272  1  0.956323  0.375242  0.671427  1
  Ti  Ti273  1  -0.014022  0.716755  0.640804  1
  Ti  Ti274  1  0.235293  0.703664  0.676180  1
  Ti  Ti275  1  0.571036  0.370630  0.671547  1
  Ti  Ti276  1  0.901531  0.036129  0.673936  1
  Ti  Ti277  1  0.283773  0.040767  0.671635  1
  Ti  Ti278  1  0.307566  0.381190  0.639308  1
  Ti  Ti279  1  0.647472  0.048757  0.640561  1
  Ti  Ti280  1  0.464438  0.694378  0.675724  1
  Ti  Ti281  1  0.804612  0.364678  0.672786  1
  Ti  Ti282  1  0.759196  0.699727  0.651080  1
  Ti  Ti283  1  0.135562  0.698028  0.636862  1
  Ti  Ti284  1  0.456153  0.367221  0.634979  1
  Ti  Ti285  1  0.797229  0.032423  0.635272  1
  Ti  Ti286  1  0.132880  0.028741  0.674129  1
  Ti  Ti287  1  0.102248  0.366787  0.651933  1
  Ti  Ti288  1  0.430573  0.033121  0.652392  1
  Ti  Ti289  1  0.533267  0.639561  0.647377  1
  Ti  Ti290  1  0.870710  0.311000  0.643833  1
  Ti  Ti291  1  0.830244  0.622680  0.687674  1
  Ti  Ti292  1  0.181766  0.628484  0.676854  1
  Ti  Ti293  1  0.512048  0.301338  0.674492  1
  Ti  Ti294  1  0.848333  0.963624  0.675316  1
  Ti  Ti295  1  0.202807  0.974858  0.644957  1
  Ti  Ti296  1  0.165394  0.297523  0.686988  1
  Ti  Ti297  1  0.497294  0.959244  0.686999  1
  Ti  Ti298  1  0.505435  0.557844  0.668697  1
  Ti  Ti299  1  0.838896  0.227685  0.664719  1
  Ti  Ti300  1  0.881663  0.552430  0.666286  1
  Ti  Ti301  1  0.170267  0.548223  0.695404  1
  Ti  Ti302  1  0.520626  0.218707  0.696376  1
  Ti  Ti303  1  0.846529  0.883563  0.695999  1
  Ti  Ti304  1  0.173136  0.894242  0.666517  1
  Ti  Ti305  1  0.209410  0.224427  0.663297  1
  Ti  Ti306  1  0.547475  0.887961  0.663994  1
  Ti  Ti307  1  0.646962  0.506791  0.654496  1
  Ti  Ti308  1  -0.021678  0.173207  0.658843  1
  Ti  Ti309  1  0.011953  0.514671  0.681875  1
  Ti  Ti310  1  0.309597  0.524718  0.673669  1
  Ti  Ti311  1  0.650637  0.186728  0.674470  1
  Ti  Ti312  1  -0.021022  0.854235  0.673218  1
  Ti  Ti313  1  0.311560  0.840906  0.657772  1
  Ti  Ti314  1  0.328252  0.176201  0.683111  1
  Ti  Ti315  1  0.671201  0.844901  0.681921  1
  Ti  Ti316  1  0.669413  0.434751  0.690227  1
  Ti  Ti317  1  0.007133  0.090264  0.684057  1
  Ti  Ti318  1  0.007299  0.439713  0.648874  1
  Ti  Ti319  1  0.318454  0.440759  0.685430  1
  Ti  Ti320  1  0.650029  0.097088  0.685681  1
  Ti  Ti321  1  -0.015446  0.764856  0.684690  1
  Ti  Ti322  1  0.340853  0.760111  0.683167  1
  Ti  Ti323  1  0.341478  0.104427  0.650127  1
  Ti  Ti324  1  0.675200  0.772435  0.649120  1
  Ti  Ti325  1  0.556342  0.696595  0.723889  1
  Ti  Ti326  1  0.902407  0.366234  0.724132  1
  Ti  Ti327  1  0.883926  0.691410  0.673837  1
  Ti  Ti328  1  0.167057  0.674933  0.730180  1
  Ti  Ti329  1  0.497218  0.340989  0.725936  1
  Ti  Ti330  1  0.835179  0.005799  0.728731  1
  Ti  Ti331  1  0.230776  0.030613  0.724805  1
  Ti  Ti332  1  0.238840  0.360629  0.682235  1
  Ti  Ti333  1  0.556698  0.025426  0.676782  1
  Ti  Ti334  1  0.411057  0.720406  0.729532  1
  Ti  Ti335  1  0.753574  0.377878  0.726107  1
  Ti  Ti336  1  0.736168  0.690227  0.712941  1
  Ti  Ti337  1  0.085828  0.705770  0.689448  1
  Ti  Ti338  1  0.398486  0.370870  0.686215  1
  Ti  Ti339  1  0.749636  0.037188  0.688545  1
  Ti  Ti340  1  0.082596  0.049101  0.728939  1
  Ti  Ti341  1  0.059571  0.359434  0.713725  1
  Ti  Ti342  1  0.392610  0.025069  0.713633  1
  Ti  Ti343  1  0.518362  0.614637  0.709832  1
  Ti  Ti344  1  0.853093  0.291201  0.705875  1
  Ti  Ti345  1  0.818679  0.619500  0.741861  1
  Ti  Ti346  1  0.177078  0.577066  0.741615  1
  Ti  Ti347  1  0.513585  0.235842  0.744961  1
  Ti  Ti348  1  0.846833  0.907595  0.743414  1
  Ti  Ti349  1  0.187311  0.955039  0.706961  1
  Ti  Ti350  1  0.151461  0.296183  0.741625  1
  Ti  Ti351  1  0.484214  0.961906  0.741432  1
  Ti  Ti352  1  0.462452  0.535197  0.724034  1
  Ti  Ti353  1  0.839330  0.209716  0.722261  1
  Ti  Ti354  1  0.782153  0.543872  0.715762  1
  Ti  Ti355  1  0.063205  0.521843  0.738317  1
  Ti  Ti356  1  0.401640  0.182797  0.739018  1
  Ti  Ti357  1  0.737305  0.852333  0.737820  1
  Ti  Ti358  1  0.169004  0.874920  0.725323  1
  Ti  Ti359  1  0.137631  0.217389  0.714663  1
  Ti  Ti360  1  0.465307  0.882315  0.715982  1
  Ti  Ti361  1  0.611701  0.516109  0.711583  1
  Ti  Ti362  1  -0.025692  0.163806  0.716649  1
  Ti  Ti363  1  0.917112  0.532460  0.727242  1
  Ti  Ti364  1  0.301181  0.508536  0.727904  1
  Ti  Ti365  1  0.636321  0.168636  0.728757  1
  Ti  Ti366  1  -0.030918  0.838187  0.727336  1
  Ti  Ti367  1  0.306360  0.833140  0.716490  1
  Ti  Ti368  1  0.258187  0.191357  0.734010  1
  Ti  Ti369  1  0.593235  0.858013  0.729487  1
  Ti  Ti370  1  0.602735  0.397830  0.729017  1
  Ti  Ti371  1  0.934574  0.070280  0.728202  1
  Ti  Ti372  1  -0.026059  0.445387  0.712285  1
  Ti  Ti373  1  0.346060  0.409695  0.736560  1
  Ti  Ti374  1  0.679781  0.072773  0.737395  1
  Ti  Ti375  1  0.017658  0.743898  0.737103  1
  Ti  Ti376  1  0.264265  0.742010  0.728719  1
  Ti  Ti377  1  0.307297  0.107370  0.714432  1
  Ti  Ti378  1  0.642745  0.771085  0.712289  1
  Nb  Nb379  1  0.686136  0.499457  0.393139  1
  Nb  Nb380  1  0.018147  0.167622  0.394879  1
  Nb  Nb381  1  0.030392  0.491519  0.388025  1
  Nb  Nb382  1  0.352726  0.514489  0.422650  1
  Nb  Nb383  1  0.685224  0.180218  0.421688  1
  Nb  Nb384  1  0.015030  0.849185  0.423088  1
  Nb  Nb385  1  0.350897  0.828361  0.391914  1
  Nb  Nb386  1  0.360279  0.161741  0.389518  1
  Nb  Nb387  1  0.695116  0.826615  0.388232  1
  Nb  Nb388  1  0.862153  0.686147  0.397414  1
  Nb  Nb389  1  0.199317  0.348933  0.397847  1
  Nb  Nb390  1  0.198921  0.660013  0.430081  1
  Nb  Nb391  1  0.544937  0.660304  0.423031  1
  Nb  Nb392  1  0.878248  0.324293  0.420855  1
  Nb  Nb393  1  0.208430  0.998216  0.424688  1
  Nb  Nb394  1  0.528045  0.015117  0.395812  1
  Nb  Nb395  1  0.534826  0.327678  0.429348  1
  Nb  Nb396  1  0.869713  0.989921  0.428011  1
  Nb  Nb397  1  0.672747  0.497123  0.441590  1
  Nb  Nb398  1  0.003076  0.160593  0.442985  1
  Nb  Nb399  1  0.002070  0.506199  0.435463  1
  Nb  Nb400  1  0.324061  0.506811  0.470441  1
  Nb  Nb401  1  0.659992  0.167561  0.469113  1
  Nb  Nb402  1  -0.009199  0.841530  0.470788  1
  Nb  Nb403  1  0.336217  0.829562  0.440407  1
  Nb  Nb404  1  0.328762  0.184756  0.435791  1
  Nb  Nb405  1  0.662452  0.849546  0.433971  1
  Nb  Nb406  1  0.862516  0.660863  0.445664  1
  Nb  Nb407  1  0.200648  0.319455  0.444840  1
  Nb  Nb408  1  0.177047  0.653270  0.477911  1
  Nb  Nb409  1  0.512582  0.655439  0.471504  1
  Nb  Nb410  1  0.847842  0.322872  0.469115  1
  Nb  Nb411  1  0.185347  0.987819  0.473184  1
  Nb  Nb412  1  0.532799  0.988368  0.443446  1
  Nb  Nb413  1  0.509973  0.321668  0.477000  1
  Nb  Nb414  1  0.843576  0.987472  0.475988  1
  Nb  Nb415  1  0.646592  0.490965  0.493598  1
  Nb  Nb416  1  -0.023342  0.158734  0.494313  1
  Nb  Nb417  1  -0.016381  0.496788  0.486706  1
  Nb  Nb418  1  0.289709  0.484285  0.518130  1
  Nb  Nb419  1  0.622668  0.151478  0.517715  1
  Nb  Nb420  1  -0.042070  0.817974  0.518440  1
  Nb  Nb421  1  0.308942  0.825786  0.492622  1
  Nb  Nb422  1  0.314689  0.165008  0.486158  1
  Nb  Nb423  1  0.646554  0.831905  0.484623  1
  Nb  Nb424  1  0.829235  0.654049  0.495764  1
  Nb  Nb425  1  0.163470  0.319507  0.494732  1
  Nb  Nb426  1  0.125645  0.645625  0.527872  1
  Nb  Nb427  1  0.474061  0.654004  0.521088  1
  Nb  Nb428  1  0.805082  0.320583  0.518258  1
  Nb  Nb429  1  0.143253  0.987876  0.522691  1
  Nb  Nb430  1  0.499625  0.986734  0.494038  1
  Nb  Nb431  1  0.458739  0.313069  0.527917  1
  Nb  Nb432  1  0.798321  0.979446  0.527105  1
  Nb  Nb433  1  0.611466  0.473036  0.540694  1
  Nb  Nb434  1  0.942466  0.140592  0.541519  1
  Nb  Nb435  1  0.947510  0.481943  0.535009  1
  Nb  Nb436  1  0.246238  0.468809  0.563956  1
  Nb  Nb437  1  0.582724  0.138189  0.564672  1
  Nb  Nb438  1  0.916200  0.802777  0.564111  1
  Nb  Nb439  1  0.278120  0.806730  0.540251  1
  Nb  Nb440  1  0.279183  0.149055  0.535020  1
  Nb  Nb441  1  0.615174  0.814632  0.533059  1
  Nb  Nb442  1  0.774528  0.649705  0.544177  1
  Nb  Nb443  1  0.107849  0.317327  0.542955  1
  Nb  Nb444  1  0.071342  0.637746  0.573243  1
  Nb  Nb445  1  0.410436  0.647261  0.567471  1
  Nb  Nb446  1  0.745800  0.313847  0.565752  1
  Nb  Nb447  1  0.079759  0.979280  0.566887  1
  Nb  Nb448  1  0.445044  0.985107  0.542956  1
  Nb  Nb449  1  0.410701  0.303567  0.574157  1
  Nb  Nb450  1  0.742778  0.971107  0.572282  1
  Nb  Nb451  1  0.547852  0.466085  0.586676  1
  Nb  Nb452  1  0.883556  0.132487  0.589033  1
  Nb  Nb453  1  0.896441  0.472816  0.580854  1
  Nb  Nb454  1  0.192521  0.465404  0.612772  1
  Nb  Nb455  1  0.526964  0.134462  0.612751  1
  Nb  Nb456  1  0.859562  0.798998  0.611646  1
  Nb  Nb457  1  0.218629  0.797510  0.587370  1
  Nb  Nb458  1  0.228043  0.140518  0.581353  1
  Nb  Nb459  1  0.567046  0.806680  0.579570  1
  Nb  Nb460  1  0.729328  0.635315  0.589572  1
  Nb  Nb461  1  0.067559  0.300729  0.589317  1
  Nb  Nb462  1  0.040060  0.622280  0.621458  1
  Nb  Nb463  1  0.378726  0.626967  0.614736  1
  Nb  Nb464  1  0.713390  0.295996  0.613148  1
  Nb  Nb465  1  0.044871  0.962377  0.615590  1
  Nb  Nb466  1  0.399341  0.969980  0.588453  1
  Nb  Nb467  1  0.375083  0.287105  0.622667  1
  Nb  Nb468  1  0.706094  0.956288  0.620897  1
  Nb  Nb469  1  0.504035  0.465429  0.635686  1
  Nb  Nb470  1  0.842044  0.127696  0.638294  1
  Nb  Nb471  1  0.845622  0.465904  0.630731  1
  Nb  Nb472  1  0.159850  0.457431  0.662767  1
  Nb  Nb473  1  0.490254  0.131964  0.662843  1
  Nb  Nb474  1  0.825326  0.796314  0.661910  1
  Nb  Nb475  1  0.176502  0.796102  0.636137  1
  Nb  Nb476  1  0.176514  0.132776  0.631528  1
  Nb  Nb477  1  0.514355  0.799032  0.630414  1
  Nb  Nb478  1  0.699992  0.610999  0.637186  1
  Nb  Nb479  1  0.032927  0.279858  0.637319  1
  Nb  Nb480  1  0.021249  0.614672  0.672645  1
  Nb  Nb481  1  0.350825  0.621601  0.667150  1
  Nb  Nb482  1  0.688075  0.293083  0.664904  1
  Nb  Nb483  1  0.018314  0.956361  0.667376  1
  Nb  Nb484  1  0.365620  0.947546  0.636182  1
  Nb  Nb485  1  0.361133  0.268202  0.673366  1
  Nb  Nb486  1  0.690987  0.943586  0.671849  1
  Nb  Nb487  1  0.478699  0.455377  0.683952  1
  Nb  Nb488  1  0.809300  0.127926  0.686668  1
  Nb  Nb489  1  0.821107  0.461621  0.678766  1
  Nb  Nb490  1  0.158042  0.435727  0.711789  1
  Nb  Nb491  1  0.491351  0.102313  0.709846  1
  Nb  Nb492  1  0.827952  0.768419  0.709619  1
  Nb  Nb493  1  0.143077  0.798129  0.684621  1
  Nb  Nb494  1  0.154553  0.126758  0.679443  1
  Nb  Nb495  1  0.487264  0.795399  0.677918  1
  Nb  Nb496  1  0.670842  0.606601  0.684793  1
  Nb  Nb497  1  0.006262  0.269023  0.684960  1
  Nb  Nb498  1  -0.008990  0.631180  0.719618  1
  Nb  Nb499  1  0.337725  0.624852  0.715751  1
  Nb  Nb500  1  0.671985  0.285511  0.712851  1
  Nb  Nb501  1  0.007222  0.953080  0.715804  1
  Nb  Nb502  1  0.340231  0.936325  0.683841  1
  Nb  Nb503  1  0.331407  0.290193  0.719882  1
  Nb  Nb504  1  0.660935  0.959537  0.718819  1
