# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.24581143
_cell_length_b   30.92311263
_cell_length_c   51.00020705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.04132616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti540 Nb180'
_cell_volume   33176.9990427
_cell_formula_units_Z   180
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  0.674522  0.737735  0.285666  1
  Ti  Ti2  1  0.523528  0.750242  0.320330  1
  Ti  Ti3  1  0.302945  0.739082  0.267621  1
  Ti  Ti4  1  0.341077  0.404142  0.285647  1
  Ti  Ti5  1  0.177606  0.736356  0.285031  1
  Ti  Ti6  1  0.188219  0.417942  0.320381  1
  Ti  Ti7  1  0.969667  0.407007  0.267251  1
  Ti  Ti8  1  1.019889  0.752121  0.320473  1
  Ti  Ti9  1  1.009842  0.071277  0.284716  1
  Ti  Ti10  1  0.799793  0.741959  0.267287  1
  Ti  Ti11  1  0.844916  0.403113  0.284881  1
  Ti  Ti12  1  0.854285  0.085754  0.319847  1
  Ti  Ti13  1  0.635820  0.073570  0.267138  1
  Ti  Ti14  1  0.685809  0.418326  0.321533  1
  Ti  Ti15  1  0.466890  0.408162  0.267606  1
  Ti  Ti16  1  0.511433  0.069818  0.284565  1
  Ti  Ti17  1  0.354523  0.084802  0.319715  1
  Ti  Ti18  1  0.134795  0.073062  0.267569  1
  Ti  Ti19  1  0.774988  0.711630  0.315756  1
  Ti  Ti20  1  0.562825  0.758751  0.274591  1
  Ti  Ti21  1  0.402287  0.737071  0.306068  1
  Ti  Ti22  1  0.441340  0.378790  0.315921  1
  Ti  Ti23  1  0.277665  0.711784  0.315749  1
  Ti  Ti24  1  0.230094  0.425828  0.274827  1
  Ti  Ti25  1  0.067960  0.403761  0.305156  1
  Ti  Ti26  1  0.067362  0.758688  0.276363  1
  Ti  Ti27  1  0.108060  0.044769  0.315568  1
  Ti  Ti28  1  0.897490  0.734834  0.303892  1
  Ti  Ti29  1  0.944310  0.378475  0.315273  1
  Ti  Ti30  1  0.898818  0.092558  0.275496  1
  Ti  Ti31  1  0.733155  0.069064  0.304795  1
  Ti  Ti32  1  0.733879  0.424121  0.277870  1
  Ti  Ti33  1  0.564084  0.402626  0.306102  1
  Ti  Ti34  1  0.610306  0.044525  0.315446  1
  Ti  Ti35  1  0.401787  0.092998  0.276249  1
  Ti  Ti36  1  0.231892  0.068847  0.305069  1
  Ti  Ti37  1  0.691545  0.650012  0.294509  1
  Ti  Ti38  1  0.416283  0.728379  0.256409  1
  Ti  Ti39  1  0.311562  0.658559  0.271014  1
  Ti  Ti40  1  0.357521  0.317170  0.294784  1
  Ti  Ti41  1  0.192523  0.650380  0.294881  1
  Ti  Ti42  1  0.082902  0.394968  0.255947  1
  Ti  Ti43  1  0.978674  0.325897  0.270548  1
  Ti  Ti44  1  0.914389  0.728293  0.255535  1
  Ti  Ti45  1  1.026476  0.983807  0.293061  1
  Ti  Ti46  1  0.812032  0.660864  0.271733  1
  Ti  Ti47  1  0.859433  0.316955  0.293708  1
  Ti  Ti48  1  0.749575  0.061783  0.255968  1
  Ti  Ti49  1  0.646072  -0.007645  0.271452  1
  Ti  Ti50  1  0.580122  0.394440  0.256839  1
  Ti  Ti51  1  0.476797  0.327038  0.271522  1
  Ti  Ti52  1  0.526263  0.982824  0.294261  1
  Ti  Ti53  1  0.248902  0.061823  0.256113  1
  Ti  Ti54  1  0.146251  -0.007613  0.271040  1
  Ti  Ti55  1  0.757502  0.578446  0.293235  1
  Ti  Ti56  1  0.637293  0.575494  0.319244  1
  Ti  Ti57  1  0.361842  0.573684  0.264964  1
  Ti  Ti58  1  0.424310  0.245131  0.292622  1
  Ti  Ti59  1  0.257357  0.577597  0.292895  1
  Ti  Ti60  1  0.304411  0.244184  0.318623  1
  Ti  Ti61  1  1.028821  0.241056  0.264611  1
  Ti  Ti62  1  0.137726  0.575306  0.319259  1
  Ti  Ti63  1  0.091405  0.911288  0.292596  1
  Ti  Ti64  1  0.862159  0.573152  0.265744  1
  Ti  Ti65  1  0.924304  0.244576  0.292593  1
  Ti  Ti66  1  0.970700  0.911556  0.317726  1
  Ti  Ti67  1  0.696353  0.907577  0.265087  1
  Ti  Ti68  1  0.803190  0.244993  0.318262  1
  Ti  Ti69  1  0.529046  0.240383  0.265068  1
  Ti  Ti70  1  0.592311  0.911264  0.293421  1
  Ti  Ti71  1  0.471700  0.908195  0.319239  1
  Ti  Ti72  1  0.195859  0.906702  0.265139  1
  Ti  Ti73  1  0.603692  0.600211  0.272549  1
  Ti  Ti74  1  0.509933  0.569258  0.307622  1
  Ti  Ti75  1  0.375735  0.550805  0.313126  1
  Ti  Ti76  1  0.270540  0.267842  0.271628  1
  Ti  Ti77  1  0.103896  0.602154  0.273187  1
  Ti  Ti78  1  0.177709  0.236610  0.306498  1
  Ti  Ti79  1  1.043786  0.217970  0.312695  1
  Ti  Ti80  1  1.009258  0.569325  0.307279  1
  Ti  Ti81  1  0.936636  0.934097  0.271414  1
  Ti  Ti82  1  0.876134  0.550819  0.313980  1
  Ti  Ti83  1  0.768411  0.269471  0.272012  1
  Ti  Ti84  1  0.841799  0.902116  0.306319  1
  Ti  Ti85  1  0.708966  0.883884  0.313007  1
  Ti  Ti86  1  0.677335  0.236708  0.306837  1
  Ti  Ti87  1  0.543599  0.217683  0.313047  1
  Ti  Ti88  1  0.437051  0.934614  0.272770  1
  Ti  Ti89  1  0.343422  0.902760  0.306873  1
  Ti  Ti90  1  0.210589  0.884598  0.313090  1
  Ti  Ti91  1  0.776085  0.493500  0.301556  1
  Ti  Ti92  1  0.482631  0.551056  0.258701  1
  Ti  Ti93  1  0.376564  0.493503  0.270418  1
  Ti  Ti94  1  0.442238  0.160068  0.302271  1
  Ti  Ti95  1  0.274478  0.491923  0.301623  1
  Ti  Ti96  1  0.149705  0.218514  0.258062  1
  Ti  Ti97  1  1.043734  0.160932  0.270132  1
  Ti  Ti98  1  0.983177  0.552292  0.258311  1
  Ti  Ti99  1  0.109137  0.825411  0.302065  1
  Ti  Ti100  1  0.877766  0.493462  0.270446  1
  Ti  Ti101  1  0.942391  0.159023  0.301834  1
  Ti  Ti102  1  0.816521  0.884129  0.257983  1
  Ti  Ti103  1  0.711006  0.826935  0.270655  1
  Ti  Ti104  1  0.649732  0.218034  0.258074  1
  Ti  Ti105  1  0.543489  0.160218  0.270302  1
  Ti  Ti106  1  0.608550  0.824656  0.301774  1
  Ti  Ti107  1  0.316508  0.885090  0.257989  1
  Ti  Ti108  1  0.210135  0.826667  0.270129  1
  Ti  Ti109  1  0.789401  0.718548  0.373483  1
  Ti  Ti110  1  0.622493  0.684349  0.407784  1
  Ti  Ti111  1  0.419272  0.732841  0.353577  1
  Ti  Ti112  1  0.455144  0.384453  0.374275  1
  Ti  Ti113  1  0.295204  0.719213  0.371713  1
  Ti  Ti114  1  0.294114  0.355621  0.407171  1
  Ti  Ti115  1  0.082736  0.398869  0.353057  1
  Ti  Ti116  1  0.111281  0.680028  0.410119  1
  Ti  Ti117  1  0.129675  0.053439  0.371255  1
  Ti  Ti118  1  0.915085  0.735771  0.352343  1
  Ti  Ti119  1  0.956231  0.384552  0.374773  1
  Ti  Ti120  1  0.941377  0.014334  0.409744  1
  Ti  Ti121  1  0.749395  0.069262  0.352998  1
  Ti  Ti122  1  0.793340  0.353473  0.405767  1
  Ti  Ti123  1  0.582727  0.398234  0.354213  1
  Ti  Ti124  1  0.626477  0.052748  0.372340  1
  Ti  Ti125  1  0.448312  0.016314  0.409304  1
  Ti  Ti126  1  0.251369  0.069629  0.352713  1
  Ti  Ti127  1  0.900123  0.691009  0.396644  1
  Ti  Ti128  1  0.628105  0.694255  0.328119  1
  Ti  Ti129  1  0.533978  0.692309  0.365297  1
  Ti  Ti130  1  0.558473  0.353200  0.398984  1
  Ti  Ti131  1  0.393395  0.687446  0.397437  1
  Ti  Ti132  1  0.294442  0.361638  0.328360  1
  Ti  Ti133  1  0.198890  0.358650  0.364976  1
  Ti  Ti134  1  0.126583  0.694686  0.327600  1
  Ti  Ti135  1  0.230634  0.025870  0.398262  1
  Ti  Ti136  1  1.033516  0.691100  0.364702  1
  Ti  Ti137  1  0.064903  0.354223  0.397400  1
  Ti  Ti138  1  0.962839  0.027537  0.326745  1
  Ti  Ti139  1  0.872500  0.023623  0.362263  1
  Ti  Ti140  1  0.792822  0.359831  0.326959  1
  Ti  Ti141  1  0.699731  0.359936  0.364989  1
  Ti  Ti142  1  0.728433  0.025518  0.399118  1
  Ti  Ti143  1  0.461828  0.027846  0.326884  1
  Ti  Ti144  1  0.371350  0.024082  0.363093  1
  Ti  Ti145  1  0.806365  0.638694  0.411931  1
  Ti  Ti146  1  0.549358  0.618896  0.341966  1
  Ti  Ti147  1  0.451054  0.634395  0.374922  1
  Ti  Ti148  1  0.475114  0.296206  0.409439  1
  Ti  Ti149  1  0.304060  0.635093  0.411825  1
  Ti  Ti150  1  0.216057  0.286390  0.340905  1
  Ti  Ti151  1  0.115415  0.298969  0.375033  1
  Ti  Ti152  1  0.050506  0.617655  0.341610  1
  Ti  Ti153  1  0.139558  0.972590  0.411623  1
  Ti  Ti154  1  0.951980  0.632085  0.375356  1
  Ti  Ti155  1  0.976246  0.300504  0.409769  1
  Ti  Ti156  1  0.883094  0.948550  0.341632  1
  Ti  Ti157  1  0.788814  0.972960  0.377429  1
  Ti  Ti158  1  0.714750  0.286202  0.342223  1
  Ti  Ti159  1  0.616809  0.302559  0.376334  1
  Ti  Ti160  1  0.638910  0.970164  0.411621  1
  Ti  Ti161  1  0.383777  0.950459  0.341174  1
  Ti  Ti162  1  0.286288  0.971097  0.375590  1
  Ti  Ti163  1  0.854574  0.554776  0.375909  1
  Ti  Ti164  1  0.756595  0.542382  0.403652  1
  Ti  Ti165  1  0.465139  0.557808  0.357621  1
  Ti  Ti166  1  0.521780  0.223541  0.376331  1
  Ti  Ti167  1  0.352059  0.555426  0.376766  1
  Ti  Ti168  1  0.416776  0.209046  0.403815  1
  Ti  Ti169  1  0.133729  0.224200  0.356033  1
  Ti  Ti170  1  0.251102  0.543267  0.404546  1
  Ti  Ti171  1  0.188645  0.890694  0.375945  1
  Ti  Ti172  1  0.967572  0.556474  0.357525  1
  Ti  Ti173  1  1.021493  0.223612  0.376253  1
  Ti  Ti174  1  0.090902  0.879731  0.403403  1
  Ti  Ti175  1  0.796461  0.893334  0.357504  1
  Ti  Ti176  1  0.918318  0.210653  0.403602  1
  Ti  Ti177  1  0.633017  0.224757  0.356622  1
  Ti  Ti178  1  0.686114  0.888831  0.377038  1
  Ti  Ti179  1  0.588734  0.877150  0.403939  1
  Ti  Ti180  1  0.300037  0.891742  0.357723  1
  Ti  Ti181  1  0.751058  0.537206  0.339206  1
  Ti  Ti182  1  0.576934  0.531217  0.370291  1
  Ti  Ti183  1  0.459787  0.504211  0.398883  1
  Ti  Ti184  1  0.421326  0.206702  0.338972  1
  Ti  Ti185  1  0.251565  0.537969  0.338774  1
  Ti  Ti186  1  0.245017  0.196546  0.371252  1
  Ti  Ti187  1  0.117080  0.171152  0.397869  1
  Ti  Ti188  1  0.079012  0.531783  0.370256  1
  Ti  Ti189  1  0.089117  0.872312  0.338267  1
  Ti  Ti190  1  0.957693  0.502782  0.398686  1
  Ti  Ti191  1  0.921968  0.205736  0.338520  1
  Ti  Ti192  1  0.909031  0.865552  0.370797  1
  Ti  Ti193  1  0.785898  0.835691  0.398202  1
  Ti  Ti194  1  0.744159  0.197239  0.372142  1
  Ti  Ti195  1  0.615517  0.169907  0.397974  1
  Ti  Ti196  1  0.585602  0.871649  0.338976  1
  Ti  Ti197  1  0.413199  0.865487  0.369161  1
  Ti  Ti198  1  0.287844  0.835660  0.397663  1
  Ti  Ti199  1  0.874962  0.417285  0.401016  1
  Ti  Ti200  1  0.647733  0.492144  0.341700  1
  Ti  Ti201  1  0.521862  0.454123  0.370995  1
  Ti  Ti202  1  0.540116  0.073219  0.398019  1
  Ti  Ti203  1  0.377211  0.418289  0.400079  1
  Ti  Ti204  1  0.317884  0.162897  0.340041  1
  Ti  Ti205  1  0.191916  0.124372  0.374383  1
  Ti  Ti206  1  0.147371  0.492812  0.340375  1
  Ti  Ti207  1  0.208391  0.735803  0.398704  1
  Ti  Ti208  1  1.024306  0.454807  0.370957  1
  Ti  Ti209  1  1.038944  0.065510  0.396882  1
  Ti  Ti210  1  0.984301  0.830849  0.340412  1
  Ti  Ti211  1  0.859516  0.789019  0.374926  1
  Ti  Ti212  1  0.817315  0.163910  0.340372  1
  Ti  Ti213  1  0.691557  0.123957  0.374546  1
  Ti  Ti214  1  0.706889  0.747005  0.399037  1
  Ti  Ti215  1  0.482041  0.825019  0.339569  1
  Ti  Ti216  1  0.358151  0.790219  0.371437  1
  Ti  Ti217  1  0.897750  0.676965  0.469754  1
  Ti  Ti218  1  0.781932  0.655034  0.488818  1
  Ti  Ti219  1  0.487272  0.697761  0.434496  1
  Ti  Ti220  1  0.553892  0.337006  0.469933  1
  Ti  Ti221  1  0.388818  0.672782  0.469902  1
  Ti  Ti222  1  0.436303  0.319751  0.489558  1
  Ti  Ti223  1  0.158393  0.360337  0.434898  1
  Ti  Ti224  1  0.271331  0.652458  0.490463  1
  Ti  Ti225  1  0.229670  0.012456  0.470031  1
  Ti  Ti226  1  0.994590  0.700523  0.432482  1
  Ti  Ti227  1  0.059681  0.338834  0.470374  1
  Ti  Ti228  1  0.114516  -0.008860  0.487751  1
  Ti  Ti229  1  0.830206  0.032621  0.431909  1
  Ti  Ti230  1  0.939206  0.318675  0.489387  1
  Ti  Ti231  1  0.654205  0.359961  0.437008  1
  Ti  Ti232  1  0.729429  0.011680  0.469791  1
  Ti  Ti233  1  0.614028  -0.010368  0.488418  1
  Ti  Ti234  1  0.330563  0.031989  0.431696  1
  Ti  Ti235  1  1.005271  0.619402  0.493878  1
  Ti  Ti236  1  0.721456  0.657757  0.438769  1
  Ti  Ti237  1  0.605487  0.635852  0.456059  1
  Ti  Ti238  1  0.683482  0.287681  0.489375  1
  Ti  Ti239  1  0.504297  0.617346  0.494945  1
  Ti  Ti240  1  0.399981  0.329167  0.435968  1
  Ti  Ti241  1  0.282002  0.310668  0.456463  1
  Ti  Ti242  1  0.223212  0.661358  0.438452  1
  Ti  Ti243  1  0.344291  0.947980  0.493818  1
  Ti  Ti244  1  0.105460  0.637220  0.457980  1
  Ti  Ti245  1  0.179526  0.286889  0.489363  1
  Ti  Ti246  1  0.054452  -0.006343  0.437296  1
  Ti  Ti247  1  0.940640  0.971600  0.456777  1
  Ti  Ti248  1  0.896052  0.328204  0.436614  1
  Ti  Ti249  1  0.779289  0.311006  0.456225  1
  Ti  Ti250  1  0.843969  0.946023  0.493934  1
  Ti  Ti251  1  0.556590  -0.007145  0.437368  1
  Ti  Ti252  1  0.441636  0.970728  0.456206  1
  Ti  Ti253  1  0.898451  0.562485  0.497638  1
  Ti  Ti254  1  0.672592  0.580497  0.427006  1
  Ti  Ti255  1  0.534709  0.544514  0.466648  1
  Ti  Ti256  1  0.582290  0.243867  0.497977  1
  Ti  Ti257  1  0.399185  0.561074  0.495930  1
  Ti  Ti258  1  0.336244  0.254205  0.429680  1
  Ti  Ti259  1  0.198689  0.200726  0.455467  1
  Ti  Ti260  1  0.169980  0.585431  0.428247  1
  Ti  Ti261  1  0.239096  0.900274  0.497384  1
  Ti  Ti262  1  1.026708  0.531868  0.462487  1
  Ti  Ti263  1  0.078097  0.236752  0.496687  1
  Ti  Ti264  1  1.000288  0.916553  0.426388  1
  Ti  Ti265  1  0.867939  0.866191  0.465375  1
  Ti  Ti266  1  0.833693  0.253697  0.429064  1
  Ti  Ti267  1  0.698424  0.199352  0.455747  1
  Ti  Ti268  1  0.734080  0.900496  0.497931  1
  Ti  Ti269  1  0.504591  0.915345  0.426392  1
  Ti  Ti270  1  0.363693  0.867610  0.466853  1
  Ti  Ti271  1  0.923773  0.494271  0.477303  1
  Ti  Ti272  1  0.815706  0.489378  0.503887  1
  Ti  Ti273  1  0.587952  0.522841  0.424508  1
  Ti  Ti274  1  0.595995  0.168401  0.479207  1
  Ti  Ti275  1  0.439634  0.494651  0.478309  1
  Ti  Ti276  1  0.486247  0.156963  0.500408  1
  Ti  Ti277  1  0.287089  0.179127  0.422445  1
  Ti  Ti278  1  0.319357  0.491232  0.498182  1
  Ti  Ti279  1  0.257130  0.829354  0.476552  1
  Ti  Ti280  1  0.097087  0.520414  0.422944  1
  Ti  Ti281  1  0.096941  0.166378  0.477782  1
  Ti  Ti282  1  0.153470  0.825720  0.500474  1
  Ti  Ti283  1  0.934779  0.847348  0.423441  1
  Ti  Ti284  1  0.986262  0.159682  0.500715  1
  Ti  Ti285  1  0.787485  0.178202  0.422594  1
  Ti  Ti286  1  0.761444  0.830839  0.479772  1
  Ti  Ti287  1  0.650037  0.825993  0.500419  1
  Ti  Ti288  1  0.424487  0.854928  0.423434  1
  Ti  Ti289  1  0.848729  0.488098  0.426166  1
  Ti  Ti290  1  0.736943  0.480282  0.448433  1
  Ti  Ti291  1  0.549018  0.469816  0.504946  1
  Ti  Ti292  1  0.516225  0.158184  0.425767  1
  Ti  Ti293  1  0.348731  0.489729  0.425720  1
  Ti  Ti294  1  0.401517  0.152201  0.449711  1
  Ti  Ti295  1  0.248371  0.124950  0.502503  1
  Ti  Ti296  1  0.240784  0.485585  0.448951  1
  Ti  Ti297  1  0.188543  0.821311  0.425681  1
  Ti  Ti298  1  0.061895  0.461806  0.503416  1
  Ti  Ti299  1  1.018419  0.159831  0.425571  1
  Ti  Ti300  1  0.072714  0.816979  0.445916  1
  Ti  Ti301  1  0.894373  0.803885  0.503581  1
  Ti  Ti302  1  0.902819  0.153100  0.448756  1
  Ti  Ti303  1  0.746908  0.125398  0.502169  1
  Ti  Ti304  1  0.681824  0.821635  0.425874  1
  Ti  Ti305  1  0.572606  0.815169  0.447761  1
  Ti  Ti306  1  0.386287  0.802470  0.504041  1
  Ti  Ti307  1  0.998864  0.393076  0.498064  1
  Ti  Ti308  1  0.756366  0.408882  0.429634  1
  Ti  Ti309  1  0.634993  0.448147  0.472081  1
  Ti  Ti310  1  0.664352  0.066379  0.499980  1
  Ti  Ti311  1  0.498453  0.394433  0.496874  1
  Ti  Ti312  1  0.437386  0.086009  0.430208  1
  Ti  Ti313  1  0.302521  0.105839  0.459880  1
  Ti  Ti314  1  0.258627  0.413411  0.429777  1
  Ti  Ti315  1  0.335056  0.728309  0.497972  1
  Ti  Ti316  1  0.139849  0.447568  0.466827  1
  Ti  Ti317  1  0.162524  0.068417  0.499448  1
  Ti  Ti318  1  0.105960  0.749126  0.428649  1
  Ti  Ti319  1  0.968057  0.784368  0.463343  1
  Ti  Ti320  1  0.941875  0.087123  0.429761  1
  Ti  Ti321  1  0.803040  0.108509  0.459744  1
  Ti  Ti322  1  0.836895  0.731568  0.499931  1
  Ti  Ti323  1  0.593607  0.744541  0.429047  1
  Ti  Ti324  1  0.469221  0.783209  0.468344  1
  Ti  Ti325  1  0.965447  0.622127  0.562903  1
  Ti  Ti326  1  0.873028  0.620625  0.599273  1
  Ti  Ti327  1  0.601606  0.621368  0.528967  1
  Ti  Ti328  1  0.633442  0.288393  0.561687  1
  Ti  Ti329  1  0.465014  0.624522  0.563139  1
  Ti  Ti330  1  0.540738  0.287828  0.599038  1
  Ti  Ti331  1  0.271658  0.293709  0.528603  1
  Ti  Ti332  1  0.375398  0.620557  0.600066  1
  Ti  Ti333  1  0.302062  0.957414  0.561721  1
  Ti  Ti334  1  0.109911  0.627763  0.528433  1
  Ti  Ti335  1  0.136995  0.288313  0.561054  1
  Ti  Ti336  1  0.208904  0.953389  0.598301  1
  Ti  Ti337  1  0.935658  0.955632  0.529783  1
  Ti  Ti338  1  1.042879  0.287821  0.599522  1
  Ti  Ti339  1  0.775520  0.294849  0.528394  1
  Ti  Ti340  1  0.800663  0.957143  0.562253  1
  Ti  Ti341  1  0.708125  0.953281  0.598906  1
  Ti  Ti342  1  0.437085  0.956359  0.529572  1
  Ti  Ti343  1  0.088083  0.579314  0.573621  1
  Ti  Ti344  1  0.895234  0.635842  0.516389  1
  Ti  Ti345  1  0.707534  0.594707  0.554633  1
  Ti  Ti346  1  0.751922  0.248946  0.572805  1
  Ti  Ti347  1  0.585391  0.577610  0.574374  1
  Ti  Ti348  1  0.531867  0.291700  0.522035  1
  Ti  Ti349  1  0.383021  0.264676  0.549643  1
  Ti  Ti350  1  0.383788  0.629662  0.517486  1
  Ti  Ti351  1  0.418018  0.913037  0.573873  1
  Ti  Ti352  1  0.210773  0.596057  0.553370  1
  Ti  Ti353  1  0.256169  0.247329  0.573147  1
  Ti  Ti354  1  0.213101  0.963158  0.518375  1
  Ti  Ti355  1  1.044680  0.929463  0.553372  1
  Ti  Ti356  1  1.046236  0.296118  0.519201  1
  Ti  Ti357  1  0.878847  0.263250  0.552215  1
  Ti  Ti358  1  0.920758  0.911869  0.574161  1
  Ti  Ti359  1  0.719275  0.966434  0.517693  1
  Ti  Ti360  1  0.542827  0.929278  0.554406  1
  Ti  Ti361  1  1.019654  0.486807  0.584972  1
  Ti  Ti362  1  0.800244  0.582669  0.529408  1
  Ti  Ti363  1  0.643667  0.524614  0.551521  1
  Ti  Ti364  1  0.688014  0.156181  0.585587  1
  Ti  Ti365  1  0.515408  0.484043  0.586924  1
  Ti  Ti366  1  0.459478  0.223879  0.525118  1
  Ti  Ti367  1  0.316739  0.192228  0.554243  1
  Ti  Ti368  1  0.292662  0.569417  0.525938  1
  Ti  Ti369  1  0.352996  0.817328  0.585799  1
  Ti  Ti370  1  0.149103  0.523405  0.554383  1
  Ti  Ti371  1  0.187113  0.157051  0.585797  1
  Ti  Ti372  1  0.127095  0.902008  0.527981  1
  Ti  Ti373  1  0.974995  0.858581  0.550884  1
  Ti  Ti374  1  0.960876  0.232510  0.525918  1
  Ti  Ti375  1  0.813387  0.193214  0.555579  1
  Ti  Ti376  1  0.850916  0.815622  0.586545  1
  Ti  Ti377  1  0.628166  0.907451  0.528674  1
  Ti  Ti378  1  0.475224  0.858707  0.552248  1
  Ti  Ti379  1  0.089871  0.449154  0.555482  1
  Ti  Ti380  1  0.914935  0.443495  0.587092  1
  Ti  Ti381  1  0.710298  0.474266  0.527869  1
  Ti  Ti382  1  0.756789  0.116978  0.555988  1
  Ti  Ti383  1  0.591451  0.452151  0.555994  1
  Ti  Ti384  1  0.584556  0.110455  0.587394  1
  Ti  Ti385  1  0.375819  0.142108  0.527318  1
  Ti  Ti386  1  0.412279  0.441328  0.587724  1
  Ti  Ti387  1  0.426159  0.783145  0.553803  1
  Ti  Ti388  1  0.219990  0.479127  0.528145  1
  Ti  Ti389  1  0.256466  0.116978  0.557231  1
  Ti  Ti390  1  0.247566  0.775034  0.588440  1
  Ti  Ti391  1  0.052427  0.813147  0.528998  1
  Ti  Ti392  1  0.084794  0.110306  0.587100  1
  Ti  Ti393  1  0.878033  0.144824  0.527917  1
  Ti  Ti394  1  0.926836  0.782192  0.554600  1
  Ti  Ti395  1  0.745565  0.775151  0.588976  1
  Ti  Ti396  1  0.551791  0.812174  0.528908  1
  Ti  Ti397  1  0.922485  0.440197  0.522963  1
  Ti  Ti398  1  0.815590  0.423627  0.548410  1
  Ti  Ti399  1  0.704564  0.422452  0.570005  1
  Ti  Ti400  1  0.580663  0.104885  0.522860  1
  Ti  Ti401  1  0.414626  0.437263  0.523156  1
  Ti  Ti402  1  0.482095  0.093564  0.550009  1
  Ti  Ti403  1  0.369191  0.091286  0.569125  1
  Ti  Ti404  1  0.312862  0.425439  0.551539  1
  Ti  Ti405  1  0.249882  0.771122  0.521990  1
  Ti  Ti406  1  0.200599  0.424520  0.569655  1
  Ti  Ti407  1  0.077461  0.104847  0.523007  1
  Ti  Ti408  1  0.148947  0.758670  0.550377  1
  Ti  Ti409  1  1.038377  0.755036  0.569311  1
  Ti  Ti410  1  0.980287  0.092898  0.551230  1
  Ti  Ti411  1  0.867213  0.091213  0.569016  1
  Ti  Ti412  1  0.742942  0.767324  0.522686  1
  Ti  Ti413  1  0.645889  0.758057  0.551003  1
  Ti  Ti414  1  0.535451  0.756355  0.569660  1
  Ti  Ti415  1  0.119754  0.361928  0.584199  1
  Ti  Ti416  1  0.861522  0.350155  0.515767  1
  Ti  Ti417  1  0.718337  0.345544  0.550903  1
  Ti  Ti418  1  0.785300  0.030467  0.585369  1
  Ti  Ti419  1  0.619535  0.361864  0.585238  1
  Ti  Ti420  1  0.529277  0.009956  0.515009  1
  Ti  Ti421  1  0.385908  0.015359  0.552151  1
  Ti  Ti422  1  0.361069  0.347717  0.517266  1
  Ti  Ti423  1  0.452024  0.697680  0.585025  1
  Ti  Ti424  1  0.216951  0.347991  0.550966  1
  Ti  Ti425  1  0.285305  0.030275  0.585281  1
  Ti  Ti426  1  0.196447  0.683510  0.517429  1
  Ti  Ti427  1  1.044211  0.676012  0.548171  1
  Ti  Ti428  1  1.028850  0.008642  0.514635  1
  Ti  Ti429  1  0.884266  0.015039  0.551768  1
  Ti  Ti430  1  0.952331  0.697763  0.584292  1
  Ti  Ti431  1  0.694844  0.673275  0.514971  1
  Ti  Ti432  1  0.549351  0.679373  0.550537  1
  Ti  Ti433  1  0.101667  0.578581  0.621680  1
  Ti  Ti434  1  0.937635  0.556399  0.650892  1
  Ti  Ti435  1  0.727854  0.602940  0.610773  1
  Ti  Ti436  1  0.768976  0.244964  0.620817  1
  Ti  Ti437  1  0.604592  0.579850  0.622470  1
  Ti  Ti438  1  0.601210  0.221935  0.649757  1
  Ti  Ti439  1  0.390734  0.269510  0.611553  1
  Ti  Ti440  1  0.432936  0.555344  0.649720  1
  Ti  Ti441  1  0.436104  0.912267  0.621966  1
  Ti  Ti442  1  0.223788  0.603002  0.611209  1
  Ti  Ti443  1  0.267591  0.244875  0.621591  1
  Ti  Ti444  1  0.269707  0.889410  0.650906  1
  Ti  Ti445  1  0.058325  0.936015  0.611407  1
  Ti  Ti446  1  0.101960  0.223421  0.648869  1
  Ti  Ti447  1  0.892145  0.269656  0.610583  1
  Ti  Ti448  1  0.935964  0.912205  0.622672  1
  Ti  Ti449  1  0.769625  0.889643  0.650122  1
  Ti  Ti450  1  0.559143  0.936370  0.611146  1
  Ti  Ti451  1  0.198608  0.573763  0.659753  1
  Ti  Ti452  1  0.980856  0.562310  0.605748  1
  Ti  Ti453  1  0.826070  0.576307  0.641081  1
  Ti  Ti454  1  0.866151  0.241265  0.658925  1
  Ti  Ti455  1  0.701374  0.573963  0.659281  1
  Ti  Ti456  1  0.647912  0.230084  0.605561  1
  Ti  Ti457  1  0.491180  0.244674  0.641463  1
  Ti  Ti458  1  0.481917  0.563212  0.606687  1
  Ti  Ti459  1  0.533424  0.907042  0.659360  1
  Ti  Ti460  1  0.323079  0.578400  0.642314  1
  Ti  Ti461  1  0.366071  0.240038  0.659520  1
  Ti  Ti462  1  0.314655  0.896036  0.606554  1
  Ti  Ti463  1  0.158813  0.911703  0.641661  1
  Ti  Ti464  1  0.148596  0.230909  0.604895  1
  Ti  Ti465  1  0.990932  0.245012  0.641583  1
  Ti  Ti466  1  1.033404  0.905022  0.660020  1
  Ti  Ti467  1  0.815626  0.895633  0.606089  1
  Ti  Ti468  1  0.658393  0.911164  0.641644  1
  Ti  Ti469  1  0.184918  0.430131  0.668701  1
  Ti  Ti470  1  0.892799  0.489285  0.624832  1
  Ti  Ti471  1  0.791028  0.487304  0.656116  1
  Ti  Ti472  1  0.852474  0.096443  0.668529  1
  Ti  Ti473  1  0.685653  0.429754  0.668179  1
  Ti  Ti474  1  0.559723  0.154399  0.624842  1
  Ti  Ti475  1  0.457994  0.154413  0.656052  1
  Ti  Ti476  1  0.393164  0.487844  0.624319  1
  Ti  Ti477  1  0.518306  0.763652  0.668683  1
  Ti  Ti478  1  0.291914  0.487667  0.656592  1
  Ti  Ti479  1  0.352476  0.096349  0.668224  1
  Ti  Ti480  1  0.226764  0.822473  0.624692  1
  Ti  Ti481  1  0.124135  0.821737  0.655867  1
  Ti  Ti482  1  0.060296  0.154492  0.624582  1
  Ti  Ti483  1  0.958590  0.154521  0.655984  1
  Ti  Ti484  1  1.018994  0.763868  0.668304  1
  Ti  Ti485  1  0.725711  0.822464  0.624930  1
  Ti  Ti486  1  0.624045  0.821170  0.656264  1
  Ti  Ti487  1  0.157289  0.411234  0.619542  1
  Ti  Ti488  1  0.065865  0.379117  0.654138  1
  Ti  Ti489  1  0.792242  0.430503  0.613849  1
  Ti  Ti490  1  0.827216  0.078892  0.619650  1
  Ti  Ti491  1  0.658126  0.411896  0.619636  1
  Ti  Ti492  1  0.732403  0.046766  0.653784  1
  Ti  Ti493  1  0.459343  0.097183  0.612891  1
  Ti  Ti494  1  0.564968  0.380253  0.655048  1
  Ti  Ti495  1  0.491368  0.744786  0.620328  1
  Ti  Ti496  1  0.291391  0.430176  0.613368  1
  Ti  Ti497  1  0.326219  0.079046  0.619353  1
  Ti  Ti498  1  0.397579  0.713340  0.654800  1
  Ti  Ti499  1  0.125589  0.764279  0.613523  1
  Ti  Ti500  1  0.231229  0.046988  0.653743  1
  Ti  Ti501  1  0.959966  0.096989  0.612349  1
  Ti  Ti502  1  0.991734  0.744835  0.619986  1
  Ti  Ti503  1  0.899136  0.713164  0.655002  1
  Ti  Ti504  1  0.624291  0.763333  0.613819  1
  Ti  Ti505  1  1.031367  0.404638  0.607534  1
  Ti  Ti506  1  0.910854  0.403708  0.633339  1
  Ti  Ti507  1  0.806721  0.406981  0.661832  1
  Ti  Ti508  1  0.698247  0.073047  0.607456  1
  Ti  Ti509  1  0.531611  0.403157  0.608441  1
  Ti  Ti510  1  0.578214  0.069885  0.633508  1
  Ti  Ti511  1  0.473642  0.074596  0.661225  1
  Ti  Ti512  1  0.410823  0.403018  0.633989  1
  Ti  Ti513  1  0.364015  0.737209  0.608510  1
  Ti  Ti514  1  0.306135  0.407923  0.661502  1
  Ti  Ti515  1  0.197751  0.073382  0.607062  1
  Ti  Ti516  1  0.243471  0.736343  0.634192  1
  Ti  Ti517  1  0.138719  0.740972  0.661343  1
  Ti  Ti518  1  0.077766  0.069212  0.633295  1
  Ti  Ti519  1  0.973119  0.075064  0.660795  1
  Ti  Ti520  1  0.863829  0.735796  0.608870  1
  Ti  Ti521  1  0.742935  0.736031  0.634168  1
  Ti  Ti522  1  0.638690  0.740790  0.661739  1
  Ti  Ti523  1  0.253230  0.253524  0.670485  1
  Ti  Ti524  1  0.976169  0.331385  0.632527  1
  Ti  Ti525  1  0.856945  0.322278  0.655468  1
  Ti  Ti526  1  0.919878  0.919589  0.671078  1
  Ti  Ti527  1  0.753386  0.253128  0.670263  1
  Ti  Ti528  1  0.643932  -0.002000  0.632004  1
  Ti  Ti529  1  0.523934  0.988376  0.655378  1
  Ti  Ti530  1  0.476471  0.330940  0.632446  1
  Ti  Ti531  1  0.586760  0.586293  0.670978  1
  Ti  Ti532  1  0.356916  0.321466  0.655530  1
  Ti  Ti533  1  0.420008  0.919967  0.670823  1
  Ti  Ti534  1  0.308970  0.664118  0.632677  1
  Ti  Ti535  1  0.188854  0.654821  0.655127  1
  Ti  Ti536  1  0.144751  -0.002152  0.631066  1
  Ti  Ti537  1  1.024775  0.986342  0.654730  1
  Ti  Ti538  1  0.084922  0.586091  0.670486  1
  Ti  Ti539  1  0.808587  0.664159  0.633524  1
  Ti  Ti540  1  0.688818  0.654639  0.655296  1
  Nb  Nb541  1  0.575088  0.491588  0.293215  1
  Nb  Nb542  1  0.474678  0.477632  0.318067  1
  Nb  Nb543  1  0.160099  0.510252  0.265980  1
  Nb  Nb544  1  0.243254  0.158688  0.292539  1
  Nb  Nb545  1  0.074721  0.492367  0.292287  1
  Nb  Nb546  1  0.145708  0.144682  0.317164  1
  Nb  Nb547  1  0.828243  0.177143  0.265423  1
  Nb  Nb548  1  0.975520  0.477748  0.317670  1
  Nb  Nb549  1  0.908838  0.825101  0.293328  1
  Nb  Nb550  1  0.659869  0.507890  0.266577  1
  Nb  Nb551  1  0.744152  0.159090  0.292292  1
  Nb  Nb552  1  0.810528  0.810627  0.318803  1
  Nb  Nb553  1  0.496667  0.844331  0.265545  1
  Nb  Nb554  1  0.646875  0.144460  0.317117  1
  Nb  Nb555  1  0.327973  0.175833  0.265848  1
  Nb  Nb556  1  0.410695  0.825422  0.291315  1
  Nb  Nb557  1  0.312487  0.811253  0.316140  1
  Nb  Nb558  1  0.993316  0.842256  0.266411  1
  Nb  Nb559  1  0.510418  0.661107  0.278489  1
  Nb  Nb560  1  0.436588  0.648586  0.308591  1
  Nb  Nb561  1  0.347080  0.636327  0.334407  1
  Nb  Nb562  1  0.176044  0.328379  0.279011  1
  Nb  Nb563  1  1.008811  0.661698  0.278862  1
  Nb  Nb564  1  0.101908  0.315243  0.309142  1
  Nb  Nb565  1  1.011378  0.303560  0.334311  1
  Nb  Nb566  1  0.936241  0.648255  0.309487  1
  Nb  Nb567  1  0.843567  -0.005221  0.278350  1
  Nb  Nb568  1  0.846860  0.636593  0.335446  1
  Nb  Nb569  1  0.670996  0.327801  0.280527  1
  Nb  Nb570  1  0.771042  0.981962  0.309016  1
  Nb  Nb571  1  0.683195  0.970165  0.335737  1
  Nb  Nb572  1  0.597315  0.314193  0.311025  1
  Nb  Nb573  1  0.506453  0.303433  0.336328  1
  Nb  Nb574  1  0.343288  -0.004877  0.278070  1
  Nb  Nb575  1  0.270550  0.981911  0.308682  1
  Nb  Nb576  1  0.181838  0.970861  0.334942  1
  Nb  Nb577  1  0.785438  0.449915  0.363640  1
  Nb  Nb578  1  0.679694  0.450198  0.391400  1
  Nb  Nb579  1  0.377600  0.460871  0.340563  1
  Nb  Nb580  1  0.458340  0.117695  0.362817  1
  Nb  Nb581  1  0.283120  0.451250  0.364350  1
  Nb  Nb582  1  0.363017  0.115087  0.384979  1
  Nb  Nb583  1  0.049763  0.127857  0.339191  1
  Nb  Nb584  1  0.184739  0.450769  0.389178  1
  Nb  Nb585  1  0.125729  0.783645  0.363603  1
  Nb  Nb586  1  0.878589  0.458955  0.340148  1
  Nb  Nb587  1  0.958250  0.117625  0.363663  1
  Nb  Nb588  1  1.030019  0.785391  0.385587  1
  Nb  Nb589  1  0.712842  0.793933  0.340396  1
  Nb  Nb590  1  0.862417  0.114545  0.385044  1
  Nb  Nb591  1  0.550449  0.127275  0.338517  1
  Nb  Nb592  1  0.617459  0.784411  0.364058  1
  Nb  Nb593  1  0.519398  0.785714  0.388889  1
  Nb  Nb594  1  0.217037  0.794353  0.338897  1
  Nb  Nb595  1  0.746855  0.630945  0.355385  1
  Nb  Nb596  1  0.652273  0.616578  0.375816  1
  Nb  Nb597  1  0.474327  0.597344  0.424613  1
  Nb  Nb598  1  0.405876  0.298236  0.356545  1
  Nb  Nb599  1  0.247226  0.630954  0.354843  1
  Nb  Nb600  1  0.311279  0.282263  0.378096  1
  Nb  Nb601  1  0.154787  0.264750  0.421829  1
  Nb  Nb602  1  0.153683  0.618138  0.375677  1
  Nb  Nb603  1  0.081192  0.964900  0.354369  1
  Nb  Nb604  1  0.975899  0.596239  0.425057  1
  Nb  Nb605  1  0.911289  0.298576  0.354908  1
  Nb  Nb606  1  0.987789  0.951481  0.375087  1
  Nb  Nb607  1  0.809017  0.926435  0.425245  1
  Nb  Nb608  1  0.817351  0.282711  0.376115  1
  Nb  Nb609  1  0.650836  0.263758  0.422651  1
  Nb  Nb610  1  0.581951  0.965123  0.354689  1
  Nb  Nb611  1  0.487644  0.951820  0.375097  1
  Nb  Nb612  1  0.312054  0.930266  0.424292  1
  Nb  Nb613  1  0.944195  0.415546  0.449208  1
  Nb  Nb614  1  0.798328  0.397835  0.480969  1
  Nb  Nb615  1  0.544369  0.430412  0.429290  1
  Nb  Nb616  1  0.590147  0.081773  0.453102  1
  Nb  Nb617  1  0.444288  0.417487  0.448352  1
  Nb  Nb618  1  0.453809  0.061488  0.483362  1
  Nb  Nb619  1  0.185087  0.095129  0.431880  1
  Nb  Nb620  1  0.298432  0.398468  0.481458  1
  Nb  Nb621  1  0.274627  0.749282  0.449461  1
  Nb  Nb622  1  1.041549  0.428782  0.429041  1
  Nb  Nb623  1  0.091756  0.082722  0.451595  1
  Nb  Nb624  1  0.131147  0.729908  0.480766  1
  Nb  Nb625  1  0.851642  0.757463  0.433476  1
  Nb  Nb626  1  0.955554  0.062828  0.482998  1
  Nb  Nb627  1  0.682536  0.094040  0.432824  1
  Nb  Nb628  1  0.757930  0.747945  0.453098  1
  Nb  Nb629  1  0.625238  0.726889  0.482177  1
  Nb  Nb630  1  0.370493  0.763750  0.429404  1
  Nb  Nb631  1  0.878518  0.585419  0.444070  1
  Nb  Nb632  1  0.747203  0.564830  0.474513  1
  Nb  Nb633  1  0.653523  0.554738  0.493965  1
  Nb  Nb634  1  0.535248  0.249135  0.446205  1
  Nb  Nb635  1  0.375983  0.583907  0.444428  1
  Nb  Nb636  1  0.391482  0.231217  0.477846  1
  Nb  Nb637  1  0.291682  0.217292  0.497084  1
  Nb  Nb638  1  0.225552  0.564853  0.476958  1
  Nb  Nb639  1  0.215262  0.920864  0.443487  1
  Nb  Nb640  1  0.129305  0.551424  0.497993  1
  Nb  Nb641  1  1.034062  0.250687  0.445794  1
  Nb  Nb642  1  0.084865  0.900714  0.472079  1
  Nb  Nb643  1  0.991568  0.891335  0.491901  1
  Nb  Nb644  1  0.890297  0.231369  0.478079  1
  Nb  Nb645  1  0.791258  0.217761  0.497386  1
  Nb  Nb646  1  0.712291  0.919490  0.444359  1
  Nb  Nb647  1  0.577738  0.900411  0.473650  1
  Nb  Nb648  1  0.485216  0.889190  0.493879  1
  Nb  Nb649  1  1.014935  0.362981  0.551176  1
  Nb  Nb650  1  0.921240  0.349467  0.572012  1
  Nb  Nb651  1  0.676892  0.381337  0.505017  1
  Nb  Nb652  1  0.682155  0.030680  0.551351  1
  Nb  Nb653  1  0.523700  0.367965  0.548561  1
  Nb  Nb654  1  0.587978  0.017036  0.571795  1
  Nb  Nb655  1  0.355774  0.048919  0.502888  1
  Nb  Nb656  1  0.428896  0.349980  0.570719  1
  Nb  Nb657  1  0.349654  0.697069  0.550482  1
  Nb  Nb658  1  0.196254  0.386364  0.501724  1
  Nb  Nb659  1  0.184338  0.031504  0.550218  1
  Nb  Nb660  1  0.257389  0.682535  0.572215  1
  Nb  Nb661  1  1.033438  0.724290  0.499923  1
  Nb  Nb662  1  0.089775  0.016809  0.570977  1
  Nb  Nb663  1  0.858678  0.050130  0.501987  1
  Nb  Nb664  1  0.847487  0.696812  0.551442  1
  Nb  Nb665  1  0.753727  0.683233  0.571889  1
  Nb  Nb666  1  0.526647  0.718889  0.501356  1
  Nb  Nb667  1  0.987083  0.534423  0.536852  1
  Nb  Nb668  1  0.883337  0.530278  0.561884  1
  Nb  Nb669  1  0.789099  0.519763  0.585485  1
  Nb  Nb670  1  0.653970  0.197292  0.535807  1
  Nb  Nb671  1  0.472102  0.532403  0.541796  1
  Nb  Nb672  1  0.551435  0.197197  0.562711  1
  Nb  Nb673  1  0.457488  0.189072  0.586292  1
  Nb  Nb674  1  0.376384  0.531230  0.563407  1
  Nb  Nb675  1  0.302545  0.862736  0.541873  1
  Nb  Nb676  1  0.286034  0.521677  0.588559  1
  Nb  Nb677  1  0.154719  0.196887  0.535532  1
  Nb  Nb678  1  0.208888  0.863359  0.564736  1
  Nb  Nb679  1  0.115598  0.855221  0.588745  1
  Nb  Nb680  1  0.050587  0.198425  0.562548  1
  Nb  Nb681  1  0.957630  0.188460  0.586430  1
  Nb  Nb682  1  0.805042  0.862224  0.541532  1
  Nb  Nb683  1  0.710683  0.863382  0.563667  1
  Nb  Nb684  1  0.617875  0.853892  0.587885  1
  Nb  Nb685  1  0.236652  0.334863  0.616160  1
  Nb  Nb686  1  0.163018  0.320459  0.646590  1
  Nb  Nb687  1  0.821280  0.345029  0.592355  1
  Nb  Nb688  1  0.900387  -0.000020  0.617249  1
  Nb  Nb689  1  0.731392  0.332391  0.617835  1
  Nb  Nb690  1  0.826859  0.986641  0.647506  1
  Nb  Nb691  1  0.488126  0.011449  0.591856  1
  Nb  Nb692  1  0.658858  0.319465  0.648430  1
  Nb  Nb693  1  0.564531  0.666208  0.617687  1
  Nb  Nb694  1  0.327188  0.343728  0.590376  1
  Nb  Nb695  1  0.398936  -0.000361  0.617934  1
  Nb  Nb696  1  0.492456  0.653216  0.648623  1
  Nb  Nb697  1  0.155064  0.678452  0.590664  1
  Nb  Nb698  1  0.325222  0.986553  0.648019  1
  Nb  Nb699  1  0.989460  0.010993  0.591015  1
  Nb  Nb700  1  0.065921  0.666286  0.616262  1
  Nb  Nb701  1  0.993616  0.653323  0.647182  1
  Nb  Nb702  1  0.653242  0.676749  0.591392  1
  Nb  Nb703  1  0.189728  0.502876  0.610060  1
  Nb  Nb704  1  0.090894  0.488810  0.634106  1
  Nb  Nb705  1  1.006315  0.471153  0.660715  1
  Nb  Nb706  1  0.860406  0.170207  0.608923  1
  Nb  Nb707  1  0.692003  0.503987  0.608352  1
  Nb  Nb708  1  0.760503  0.156030  0.633754  1
  Nb  Nb709  1  0.675588  0.138762  0.660273  1
  Nb  Nb710  1  0.593436  0.489682  0.633467  1
  Nb  Nb711  1  0.521201  0.836153  0.608966  1
  Nb  Nb712  1  0.508582  0.472792  0.660356  1
  Nb  Nb713  1  0.360256  0.170742  0.608589  1
  Nb  Nb714  1  0.423958  0.822448  0.634307  1
  Nb  Nb715  1  0.340048  0.805556  0.661585  1
  Nb  Nb716  1  0.260326  0.155556  0.634113  1
  Nb  Nb717  1  0.174683  0.139245  0.660182  1
  Nb  Nb718  1  1.018299  0.835989  0.608779  1
  Nb  Nb719  1  0.922522  0.821999  0.634788  1
  Nb  Nb720  1  0.838800  0.804596  0.661925  1
