# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.53962996
_cell_length_b   29.33368590
_cell_length_c   47.33774982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.02138462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti288 Nb96'
_cell_volume   17243.8602091
_cell_formula_units_Z   96
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  0.836886  0.801026  0.322747  1
  Ti  Ti2  1  0.321932  0.804302  0.319825  1
  Ti  Ti3  1  0.802197  0.145409  0.331232  1
  Ti  Ti4  1  0.801740  0.486820  0.327501  1
  Ti  Ti5  1  0.302633  0.143876  0.333068  1
  Ti  Ti6  1  0.303806  0.485958  0.326786  1
  Ti  Ti7  1  0.546874  0.808768  0.318791  1
  Ti  Ti8  1  0.058820  0.806078  0.317576  1
  Ti  Ti9  1  0.554968  0.103647  0.357707  1
  Ti  Ti10  1  0.517271  0.482747  0.324158  1
  Ti  Ti11  1  0.056016  0.103385  0.357126  1
  Ti  Ti12  1  0.014621  0.483211  0.323942  1
  Ti  Ti13  1  0.442104  0.731113  0.317722  1
  Ti  Ti14  1  0.946730  0.726053  0.313354  1
  Ti  Ti15  1  0.494720  0.080268  0.310965  1
  Ti  Ti16  1  0.437654  0.395115  0.319352  1
  Ti  Ti17  1  -0.007244  0.079008  0.311011  1
  Ti  Ti18  1  0.937848  0.395362  0.319868  1
  Ti  Ti19  1  0.469095  0.640564  0.341653  1
  Ti  Ti20  1  0.970830  0.640036  0.341064  1
  Ti  Ti21  1  0.523128  0.988648  0.303849  1
  Ti  Ti22  1  0.578328  0.305702  0.318531  1
  Ti  Ti23  1  0.020174  0.987503  0.304629  1
  Ti  Ti24  1  0.079664  0.305600  0.318112  1
  Ti  Ti25  1  0.770754  0.609135  0.352006  1
  Ti  Ti26  1  0.268286  0.608959  0.352132  1
  Ti  Ti27  1  0.718647  0.950205  0.295744  1
  Ti  Ti28  1  0.868970  0.309809  0.307396  1
  Ti  Ti29  1  0.214993  0.947298  0.297006  1
  Ti  Ti30  1  0.367844  0.309539  0.307648  1
  Ti  Ti31  1  0.898242  0.569462  0.313849  1
  Ti  Ti32  1  0.398617  0.568725  0.314369  1
  Ti  Ti33  1  0.650427  0.880774  0.319696  1
  Ti  Ti34  1  0.740868  0.237594  0.309489  1
  Ti  Ti35  1  0.142178  0.880442  0.322115  1
  Ti  Ti36  1  0.240930  0.236243  0.310139  1
  Ti  Ti37  1  0.693383  0.816319  0.360431  1
  Ti  Ti38  1  0.204808  0.815160  0.362845  1
  Ti  Ti39  1  0.723715  0.133828  0.376825  1
  Ti  Ti40  1  0.637352  0.501544  0.366576  1
  Ti  Ti41  1  0.217360  0.133195  0.378266  1
  Ti  Ti42  1  0.137138  0.501783  0.365003  1
  Ti  Ti43  1  0.461153  0.804669  0.371058  1
  Ti  Ti44  1  0.972817  0.805915  0.369506  1
  Ti  Ti45  1  0.401157  0.100534  0.385296  1
  Ti  Ti46  1  0.426419  0.428399  0.369527  1
  Ti  Ti47  1  0.905690  0.100547  0.385957  1
  Ti  Ti48  1  0.925411  0.429690  0.370079  1
  Ti  Ti49  1  0.391656  0.725047  0.369614  1
  Ti  Ti50  1  0.892770  0.728936  0.366232  1
  Ti  Ti51  1  0.507901  0.027493  0.358761  1
  Ti  Ti52  1  0.480903  0.352543  0.411237  1
  Ti  Ti53  1  0.008970  0.027549  0.359684  1
  Ti  Ti54  1  0.979120  0.354117  0.410247  1
  Ti  Ti55  1  0.396135  0.636830  0.392015  1
  Ti  Ti56  1  0.897065  0.642384  0.390968  1
  Ti  Ti57  1  0.520989  0.963054  0.398565  1
  Ti  Ti58  1  0.451151  0.325777  0.361218  1
  Ti  Ti59  1  0.019981  0.961858  0.399633  1
  Ti  Ti60  1  0.952364  0.325478  0.360911  1
  Ti  Ti61  1  0.595607  0.594775  0.384588  1
  Ti  Ti62  1  0.094031  0.592322  0.384551  1
  Ti  Ti63  1  0.577548  0.950407  0.345389  1
  Ti  Ti64  1  0.759823  0.284565  0.353360  1
  Ti  Ti65  1  0.077886  0.951190  0.346824  1
  Ti  Ti66  1  0.259191  0.284513  0.353437  1
  Ti  Ti67  1  0.623716  0.564326  0.330061  1
  Ti  Ti68  1  0.124597  0.564381  0.328981  1
  Ti  Ti69  1  0.574363  0.882198  0.378189  1
  Ti  Ti70  1  0.706028  0.213131  0.362965  1
  Ti  Ti71  1  0.074473  0.881358  0.378532  1
  Ti  Ti72  1  0.206832  0.212761  0.363955  1
  Ti  Ti73  1  0.612183  0.807619  0.409533  1
  Ti  Ti74  1  0.103749  0.807657  0.410445  1
  Ti  Ti75  1  0.501959  0.107705  0.456166  1
  Ti  Ti76  1  0.534877  0.436494  0.435783  1
  Ti  Ti77  1  -0.002636  0.107695  0.456480  1
  Ti  Ti78  1  0.031106  0.433915  0.436992  1
  Ti  Ti79  1  0.314445  0.784198  0.405116  1
  Ti  Ti80  1  0.820116  0.787844  0.402190  1
  Ti  Ti81  1  0.306759  0.082712  0.441214  1
  Ti  Ti82  1  0.342135  0.423435  0.421999  1
  Ti  Ti83  1  0.804875  0.081740  0.440803  1
  Ti  Ti84  1  0.836210  0.426096  0.422033  1
  Ti  Ti85  1  0.330009  0.701498  0.421237  1
  Ti  Ti86  1  0.828921  0.712367  0.420710  1
  Ti  Ti87  1  0.484279  0.041559  0.418475  1
  Ti  Ti88  1  0.213501  0.412588  0.460424  1
  Ti  Ti89  1  0.982893  0.040271  0.418744  1
  Ti  Ti90  1  0.711888  0.413059  0.461203  1
  Ti  Ti91  1  0.293055  0.625113  0.439151  1
  Ti  Ti92  1  0.801507  0.631427  0.436069  1
  Ti  Ti93  1  0.354128  0.982532  0.451327  1
  Ti  Ti94  1  0.328907  0.307793  0.407766  1
  Ti  Ti95  1  0.849598  0.980605  0.451694  1
  Ti  Ti96  1  0.829474  0.308021  0.407708  1
  Ti  Ti97  1  0.519835  0.594073  0.436643  1
  Ti  Ti98  1  0.021293  0.591975  0.436312  1
  Ti  Ti99  1  0.543403  0.965021  0.451041  1
  Ti  Ti100  1  0.626846  0.281647  0.394137  1
  Ti  Ti101  1  0.038851  0.965592  0.452499  1
  Ti  Ti102  1  0.126190  0.282088  0.394327  1
  Ti  Ti103  1  0.570016  0.505476  0.415558  1
  Ti  Ti104  1  0.070909  0.500827  0.414516  1
  Ti  Ti105  1  0.486326  0.893316  0.427725  1
  Ti  Ti106  1  0.603076  0.121710  0.413151  1
  Ti  Ti107  1  -0.013120  0.891382  0.428269  1
  Ti  Ti108  1  0.099226  0.122118  0.414816  1
  Ti  Ti109  1  0.452625  0.810922  0.433200  1
  Ti  Ti110  1  0.949470  0.807112  0.436782  1
  Ti  Ti111  1  0.323428  0.143095  0.488055  1
  Ti  Ti112  1  0.426215  0.440320  0.478266  1
  Ti  Ti113  1  0.815411  0.144053  0.487371  1
  Ti  Ti114  1  0.923070  0.441497  0.479848  1
  Ti  Ti115  1  0.260246  0.758163  0.454388  1
  Ti  Ti116  1  0.762877  0.754836  0.458185  1
  Ti  Ti117  1  0.160893  0.100073  0.489655  1
  Ti  Ti118  1  0.112851  0.387916  0.498328  1
  Ti  Ti119  1  0.659853  0.097958  0.489989  1
  Ti  Ti120  1  0.613161  0.387899  0.499668  1
  Ti  Ti121  1  0.296110  0.680188  0.479766  1
  Ti  Ti122  1  0.776122  0.665665  0.483366  1
  Ti  Ti123  1  0.153179  0.029032  0.461188  1
  Ti  Ti124  1  0.143513  0.273110  0.488725  1
  Ti  Ti125  1  0.652912  0.027818  0.461283  1
  Ti  Ti126  1  0.646276  0.274790  0.487288  1
  Ti  Ti127  1  0.194447  0.620591  0.498468  1
  Ti  Ti128  1  0.641638  0.614666  0.504058  1
  Ti  Ti129  1  0.204178  0.952340  0.485378  1
  Ti  Ti130  1  0.169521  0.325888  0.443124  1
  Ti  Ti131  1  0.701478  0.951744  0.486153  1
  Ti  Ti132  1  0.669629  0.326993  0.442750  1
  Ti  Ti133  1  0.422884  0.599838  0.483381  1
  Ti  Ti134  1  0.918815  0.596693  0.482880  1
  Ti  Ti135  1  0.431299  0.912007  0.481608  1
  Ti  Ti136  1  0.534071  0.261607  0.440579  1
  Ti  Ti137  1  0.932936  0.909073  0.482059  1
  Ti  Ti138  1  0.035123  0.260767  0.440618  1
  Ti  Ti139  1  0.465843  0.519087  0.463649  1
  Ti  Ti140  1  0.970574  0.515646  0.462850  1
  Ti  Ti141  1  0.395469  0.802438  0.484247  1
  Ti  Ti142  1  0.508162  0.188806  0.483181  1
  Ti  Ti143  1  0.893985  0.805779  0.487580  1
  Ti  Ti144  1  0.004366  0.189658  0.483178  1
  Ti  Ti145  1  0.338234  0.736997  0.517034  1
  Ti  Ti146  1  0.833455  0.734574  0.510951  1
  Ti  Ti147  1  0.187501  0.073864  0.552399  1
  Ti  Ti148  1  0.328623  0.431077  0.520545  1
  Ti  Ti149  1  0.694473  0.071700  0.553975  1
  Ti  Ti150  1  0.827034  0.430953  0.521312  1
  Ti  Ti151  1  0.145378  0.721422  0.519654  1
  Ti  Ti152  1  0.642366  0.728195  0.517209  1
  Ti  Ti153  1  0.066065  0.014820  0.571392  1
  Ti  Ti154  1  0.024188  0.385272  0.541804  1
  Ti  Ti155  1  0.568684  0.017917  0.572687  1
  Ti  Ti156  1  0.521476  0.385247  0.542617  1
  Ti  Ti157  1  0.019278  0.622597  0.525905  1
  Ti  Ti158  1  0.471849  0.641645  0.528585  1
  Ti  Ti159  1  0.136312  0.019272  0.515921  1
  Ti  Ti160  1  0.013155  0.305072  0.551904  1
  Ti  Ti161  1  0.636011  0.019452  0.517438  1
  Ti  Ti162  1  0.513016  0.303596  0.551957  1
  Ti  Ti163  1  0.971987  0.587384  0.571551  1
  Ti  Ti164  1  0.490395  0.586470  0.567955  1
  Ti  Ti165  1  0.080074  0.935292  0.525821  1
  Ti  Ti166  1  0.074824  0.228423  0.525742  1
  Ti  Ti167  1  0.580873  0.936717  0.528586  1
  Ti  Ti168  1  0.578744  0.229566  0.523501  1
  Ti  Ti169  1  0.215066  0.549264  0.563873  1
  Ti  Ti170  1  0.712641  0.548150  0.565109  1
  Ti  Ti171  1  0.320968  0.884128  0.516752  1
  Ti  Ti172  1  0.338823  0.210592  0.518141  1
  Ti  Ti173  1  0.819272  0.882728  0.517394  1
  Ti  Ti174  1  0.831629  0.211030  0.517422  1
  Ti  Ti175  1  0.343626  0.566569  0.526088  1
  Ti  Ti176  1  0.836182  0.567230  0.526523  1
  Ti  Ti177  1  0.356949  0.809411  0.542844  1
  Ti  Ti178  1  0.177871  0.153842  0.529990  1
  Ti  Ti179  1  0.849395  0.802027  0.543293  1
  Ti  Ti180  1  0.671406  0.152004  0.529547  1
  Ti  Ti181  1  0.202839  0.769110  0.569890  1
  Ti  Ti182  1  0.684237  0.770310  0.571680  1
  Ti  Ti183  1  0.177428  0.048506  0.603155  1
  Ti  Ti184  1  0.139730  0.404731  0.601818  1
  Ti  Ti185  1  0.685388  0.047211  0.605813  1
  Ti  Ti186  1  0.637792  0.405253  0.601773  1
  Ti  Ti187  1  0.972236  0.720226  0.549363  1
  Ti  Ti188  1  0.488618  0.733917  0.551570  1
  Ti  Ti189  1  0.882932  0.022677  0.596208  1
  Ti  Ti190  1  0.934800  0.370822  0.587447  1
  Ti  Ti191  1  0.376011  0.024367  0.597039  1
  Ti  Ti192  1  0.435331  0.369102  0.587036  1
  Ti  Ti193  1  0.881806  0.744155  0.599198  1
  Ti  Ti194  1  0.380851  0.735332  0.597278  1
  Ti  Ti195  1  0.019081  0.940161  0.581127  1
  Ti  Ti196  1  0.931537  0.286139  0.605019  1
  Ti  Ti197  1  0.513168  0.947204  0.583282  1
  Ti  Ti198  1  0.430942  0.278421  0.604678  1
  Ti  Ti199  1  0.846023  0.576209  0.609171  1
  Ti  Ti200  1  0.358824  0.577519  0.607147  1
  Ti  Ti201  1  0.965743  0.872341  0.553558  1
  Ti  Ti202  1  0.959134  0.226758  0.567645  1
  Ti  Ti203  1  0.471462  0.876547  0.555339  1
  Ti  Ti204  1  0.471480  0.223959  0.566599  1
  Ti  Ti205  1  0.126234  0.538099  0.606703  1
  Ti  Ti206  1  0.622586  0.539039  0.608826  1
  Ti  Ti207  1  0.147813  0.859842  0.552536  1
  Ti  Ti208  1  0.219781  0.206710  0.569282  1
  Ti  Ti209  1  0.650956  0.856704  0.554317  1
  Ti  Ti210  1  0.716574  0.206807  0.568618  1
  Ti  Ti211  1  0.236373  0.417829  0.561412  1
  Ti  Ti212  1  0.734528  0.418570  0.561899  1
  Ti  Ti213  1  0.019336  0.793862  0.580658  1
  Ti  Ti214  1  0.154798  0.132810  0.587284  1
  Ti  Ti215  1  0.505578  0.800835  0.589470  1
  Ti  Ti216  1  0.655625  0.132131  0.586263  1
  Ti  Ti217  1  0.088921  0.761004  0.626140  1
  Ti  Ti218  1  0.604442  0.755841  0.628193  1
  Ti  Ti219  1  0.027364  0.021297  0.630999  1
  Ti  Ti220  1  0.032621  0.385757  0.643816  1
  Ti  Ti221  1  0.525025  0.023340  0.630461  1
  Ti  Ti222  1  0.534279  0.386270  0.644585  1
  Ti  Ti223  1  0.779778  0.712354  0.632388  1
  Ti  Ti224  1  0.261512  0.715258  0.633392  1
  Ti  Ti225  1  0.803580  0.008164  0.647469  1
  Ti  Ti226  1  0.822858  0.364203  0.630184  1
  Ti  Ti227  1  0.283898  0.014510  0.647096  1
  Ti  Ti228  1  0.330241  0.361495  0.628404  1
  Ti  Ti229  1  0.802961  0.630297  0.645607  1
  Ti  Ti230  1  0.303271  0.630450  0.644949  1
  Ti  Ti231  1  0.937577  0.948462  0.628379  1
  Ti  Ti232  1  0.862859  0.306519  0.661182  1
  Ti  Ti233  1  0.427187  0.954729  0.633088  1
  Ti  Ti234  1  0.361040  0.308979  0.662453  1
  Ti  Ti235  1  0.732217  0.562073  0.653793  1
  Ti  Ti236  1  0.237013  0.561803  0.651794  1
  Ti  Ti237  1  0.918963  0.900408  0.667805  1
  Ti  Ti238  1  0.862199  0.225128  0.630765  1
  Ti  Ti239  1  0.422262  0.893595  0.666995  1
  Ti  Ti240  1  0.362355  0.225417  0.633722  1
  Ti  Ti241  1  0.001340  0.541726  0.649161  1
  Ti  Ti242  1  0.496139  0.540793  0.650742  1
  Ti  Ti243  1  0.000347  0.866685  0.610072  1
  Ti  Ti244  1  0.078901  0.199945  0.610311  1
  Ti  Ti245  1  0.496815  0.876394  0.610873  1
  Ti  Ti246  1  0.585205  0.196671  0.612476  1
  Ti  Ti247  1  0.094635  0.465431  0.637072  1
  Ti  Ti248  1  0.595637  0.465669  0.636661  1
  Ti  Ti249  1  0.977539  0.824470  0.653880  1
  Ti  Ti250  1  0.086705  0.102464  0.639880  1
  Ti  Ti251  1  0.482623  0.820328  0.650351  1
  Ti  Ti252  1  0.585975  0.104732  0.639032  1
  Ti  Ti253  1  0.929312  0.749083  0.653586  1
  Ti  Ti254  1  0.419268  0.747907  0.649565  1
  Ti  Ti255  1  0.944120  0.025708  0.684746  1
  Ti  Ti256  1  0.961356  0.369109  0.694653  1
  Ti  Ti257  1  0.441580  0.030098  0.683776  1
  Ti  Ti258  1  0.470434  0.369931  0.696353  1
  Ti  Ti259  1  0.716330  0.703074  0.678890  1
  Ti  Ti260  1  0.221969  0.702291  0.680131  1
  Ti  Ti261  1  0.633034  0.046190  0.679742  1
  Ti  Ti262  1  0.687212  0.372869  0.680286  1
  Ti  Ti263  1  0.129122  0.047818  0.682228  1
  Ti  Ti264  1  0.181198  0.373103  0.681033  1
  Ti  Ti265  1  0.758108  0.609823  0.698267  1
  Ti  Ti266  1  0.258906  0.607469  0.697474  1
  Ti  Ti267  1  0.830283  0.964294  0.698409  1
  Ti  Ti268  1  0.817584  0.314281  0.712088  1
  Ti  Ti269  1  0.345550  0.962582  0.693617  1
  Ti  Ti270  1  0.319929  0.315834  0.712913  1
  Ti  Ti271  1  0.618868  0.538622  0.696922  1
  Ti  Ti272  1  0.122519  0.536988  0.695602  1
  Ti  Ti273  1  0.790979  0.890612  0.722069  1
  Ti  Ti274  1  0.860287  0.224071  0.685642  1
  Ti  Ti275  1  0.297081  0.893242  0.720975  1
  Ti  Ti276  1  0.360751  0.225750  0.687877  1
  Ti  Ti277  1  0.907290  0.543557  0.696340  1
  Ti  Ti278  1  0.403807  0.541254  0.698295  1
  Ti  Ti279  1  0.968561  0.855272  0.709696  1
  Ti  Ti280  1  0.035045  0.182300  0.656396  1
  Ti  Ti281  1  0.471823  0.852072  0.708965  1
  Ti  Ti282  1  0.534441  0.182078  0.659052  1
  Ti  Ti283  1  0.045426  0.454632  0.689361  1
  Ti  Ti284  1  0.547004  0.455649  0.688826  1
  Ti  Ti285  1  -0.002756  0.766105  0.699197  1
  Ti  Ti286  1  0.030043  0.134007  0.697212  1
  Ti  Ti287  1  0.494654  0.763841  0.695351  1
  Ti  Ti288  1  0.529607  0.130001  0.697524  1
  Nb  Nb289  1  0.372288  0.531088  0.384652  1
  Nb  Nb290  1  0.872197  0.531827  0.385177  1
  Nb  Nb291  1  0.364574  0.897849  0.352870  1
  Nb  Nb292  1  0.503276  0.200810  0.325768  1
  Nb  Nb293  1  0.860188  0.897705  0.355013  1
  Nb  Nb294  1  0.004014  0.200490  0.325293  1
  Nb  Nb295  1  0.691878  0.705553  0.334252  1
  Nb  Nb296  1  0.192529  0.705878  0.335129  1
  Nb  Nb297  1  0.756339  0.050828  0.328325  1
  Nb  Nb298  1  0.694430  0.387398  0.338386  1
  Nb  Nb299  1  0.257552  0.049701  0.325693  1
  Nb  Nb300  1  0.192580  0.387389  0.338672  1
  Nb  Nb301  1  0.280280  0.531346  0.425129  1
  Nb  Nb302  1  0.779402  0.535924  0.425802  1
  Nb  Nb303  1  0.286758  0.935313  0.392349  1
  Nb  Nb304  1  0.470127  0.213536  0.371117  1
  Nb  Nb305  1  0.783114  0.937592  0.394068  1
  Nb  Nb306  1  0.970567  0.214008  0.370458  1
  Nb  Nb307  1  0.634708  0.709333  0.378373  1
  Nb  Nb308  1  0.131861  0.708304  0.379069  1
  Nb  Nb309  1  0.801593  0.991099  0.356568  1
  Nb  Nb310  1  0.672242  0.392626  0.382792  1
  Nb  Nb311  1  0.297327  0.995633  0.357914  1
  Nb  Nb312  1  0.174239  0.393845  0.383128  1
  Nb  Nb313  1  0.216064  0.522923  0.471908  1
  Nb  Nb314  1  0.718017  0.524621  0.471776  1
  Nb  Nb315  1  0.251767  0.887775  0.427636  1
  Nb  Nb316  1  0.388189  0.202033  0.415161  1
  Nb  Nb317  1  0.759835  0.882891  0.426086  1
  Nb  Nb318  1  0.887518  0.202725  0.414309  1
  Nb  Nb319  1  0.577803  0.695737  0.424283  1
  Nb  Nb320  1  0.076801  0.695174  0.424991  1
  Nb  Nb321  1  0.724980  0.019781  0.398138  1
  Nb  Nb322  1  0.413817  0.332175  0.476152  1
  Nb  Nb323  1  0.223339  0.016679  0.400996  1
  Nb  Nb324  1  0.914685  0.332779  0.475179  1
  Nb  Nb325  1  0.117915  0.504244  0.509972  1
  Nb  Nb326  1  0.617648  0.504212  0.509211  1
  Nb  Nb327  1  0.180141  0.857631  0.468427  1
  Nb  Nb328  1  0.246792  0.196226  0.442347  1
  Nb  Nb329  1  0.680370  0.858140  0.467279  1
  Nb  Nb330  1  0.744999  0.195990  0.440993  1
  Nb  Nb331  1  0.524018  0.706507  0.467646  1
  Nb  Nb332  1  0.024630  0.703408  0.468849  1
  Nb  Nb333  1  0.403498  0.027890  0.504113  1
  Nb  Nb334  1  0.327358  0.313637  0.513680  1
  Nb  Nb335  1  0.904796  0.031176  0.503256  1
  Nb  Nb336  1  0.829334  0.314275  0.512967  1
  Nb  Nb337  1  0.012394  0.488000  0.548017  1
  Nb  Nb338  1  0.510997  0.489636  0.547117  1
  Nb  Nb339  1  0.106003  0.812175  0.499088  1
  Nb  Nb340  1  0.932843  0.091052  0.532849  1
  Nb  Nb341  1  0.598971  0.819729  0.499886  1
  Nb  Nb342  1  0.430443  0.087437  0.533335  1
  Nb  Nb343  1  0.246888  0.662079  0.567297  1
  Nb  Nb344  1  0.756375  0.664627  0.563479  1
  Nb  Nb345  1  0.340469  0.986350  0.540250  1
  Nb  Nb346  1  0.244012  0.306831  0.557801  1
  Nb  Nb347  1  0.847366  0.987151  0.538487  1
  Nb  Nb348  1  0.744905  0.308039  0.556948  1
  Nb  Nb349  1  0.909414  0.476386  0.588274  1
  Nb  Nb350  1  0.410498  0.477168  0.587867  1
  Nb  Nb351  1  0.776641  0.849838  0.603505  1
  Nb  Nb352  1  0.925614  0.132555  0.573064  1
  Nb  Nb353  1  0.272757  0.852032  0.601731  1
  Nb  Nb354  1  0.427420  0.132214  0.572405  1
  Nb  Nb355  1  0.103066  0.658553  0.594292  1
  Nb  Nb356  1  0.614592  0.659356  0.590653  1
  Nb  Nb357  1  0.268521  0.936870  0.575963  1
  Nb  Nb358  1  0.173263  0.297021  0.602064  1
  Nb  Nb359  1  0.773222  0.936133  0.573990  1
  Nb  Nb360  1  0.673030  0.297726  0.600985  1
  Nb  Nb361  1  0.833469  0.467015  0.632694  1
  Nb  Nb362  1  0.333536  0.466145  0.631911  1
  Nb  Nb363  1  0.713742  0.847994  0.649176  1
  Nb  Nb364  1  0.861597  0.122361  0.619650  1
  Nb  Nb365  1  0.218619  0.843779  0.647522  1
  Nb  Nb366  1  0.361699  0.124201  0.618833  1
  Nb  Nb367  1  0.034220  0.645154  0.637913  1
  Nb  Nb368  1  0.536350  0.647498  0.633749  1
  Nb  Nb369  1  0.205225  0.924408  0.622371  1
  Nb  Nb370  1  0.117855  0.281949  0.647288  1
  Nb  Nb371  1  0.705032  0.924516  0.619802  1
  Nb  Nb372  1  0.617177  0.283154  0.645933  1
  Nb  Nb373  1  0.798768  0.455685  0.678289  1
  Nb  Nb374  1  0.299509  0.453622  0.677276  1
  Nb  Nb375  1  0.721842  0.806647  0.688483  1
  Nb  Nb376  1  0.803940  0.118233  0.663760  1
  Nb  Nb377  1  0.216293  0.810984  0.689589  1
  Nb  Nb378  1  0.302533  0.120933  0.662906  1
  Nb  Nb379  1  0.003689  0.648989  0.683726  1
  Nb  Nb380  1  0.504699  0.646121  0.679569  1
  Nb  Nb381  1  0.138540  0.925147  0.668559  1
  Nb  Nb382  1  0.094883  0.262856  0.691880  1
  Nb  Nb383  1  0.640448  0.926885  0.666799  1
  Nb  Nb384  1  0.596743  0.262980  0.690618  1
