# generated using pymatgen
data_Ti3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.33888731
_cell_length_b   32.60087854
_cell_length_c   30.70953811
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.38298651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb
_chemical_formula_sum   'Ti324 Nb108'
_cell_volume   18352.8109407
_cell_formula_units_Z   108
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  0.151864  0.785777  0.588476  1
  Ti  Ti2  1  0.484727  0.452654  0.588928  1
  Ti  Ti3  1  0.447385  0.807440  0.586259  1
  Ti  Ti4  1  0.817088  0.118616  0.590764  1
  Ti  Ti5  1  0.778930  0.474115  0.585638  1
  Ti  Ti6  1  0.840010  0.783170  0.639963  1
  Ti  Ti7  1  0.112369  0.142018  0.586514  1
  Ti  Ti8  1  0.174024  0.448621  0.640422  1
  Ti  Ti9  1  0.506209  0.116273  0.641033  1
  Ti  Ti10  1  0.042650  0.790738  0.635550  1
  Ti  Ti11  1  0.374873  0.457632  0.635538  1
  Ti  Ti12  1  0.359352  0.783601  0.641184  1
  Ti  Ti13  1  0.707873  0.123842  0.637306  1
  Ti  Ti14  1  0.689882  0.449136  0.639795  1
  Ti  Ti15  1  0.749970  0.812707  0.589837  1
  Ti  Ti16  1  0.024704  0.116623  0.641253  1
  Ti  Ti17  1  0.083694  0.478423  0.590763  1
  Ti  Ti18  1  0.415265  0.145814  0.590737  1
  Ti  Ti19  1  -0.062963  0.742510  0.599985  1
  Ti  Ti20  1  0.270381  0.409221  0.599219  1
  Ti  Ti21  1  0.287314  0.755837  0.568296  1
  Ti  Ti22  1  0.603617  0.076173  0.600625  1
  Ti  Ti23  1  0.618937  0.421041  0.567295  1
  Ti  Ti24  1  0.605118  0.762183  0.611817  1
  Ti  Ti25  1  -0.047956  0.088014  0.568934  1
  Ti  Ti26  1  -0.060051  0.427629  0.611684  1
  Ti  Ti27  1  0.272574  0.095278  0.612628  1
  Ti  Ti28  1  -0.071353  0.631538  0.606172  1
  Ti  Ti29  1  0.264880  0.299944  0.604856  1
  Ti  Ti30  1  0.363628  0.601449  0.585005  1
  Ti  Ti31  1  0.593536  -0.034101  0.606588  1
  Ti  Ti32  1  0.693950  0.268225  0.583687  1
  Ti  Ti33  1  0.618712  0.630173  0.609164  1
  Ti  Ti34  1  0.029043  0.935350  0.583933  1
  Ti  Ti35  1  -0.049521  0.295969  0.607252  1
  Ti  Ti36  1  0.282851  -0.037218  0.607408  1
  Ti  Ti37  1  0.265419  0.649622  0.614722  1
  Ti  Ti38  1  0.598242  0.316986  0.614544  1
  Ti  Ti39  1  0.500835  0.602730  0.566396  1
  Ti  Ti40  1  -0.065919  -0.015244  0.614877  1
  Ti  Ti41  1  0.831500  0.267924  0.566151  1
  Ti  Ti42  1  0.830241  0.605293  0.678237  1
  Ti  Ti43  1  0.165403  0.935042  0.564151  1
  Ti  Ti44  1  0.161447  0.271803  0.680527  1
  Ti  Ti45  1  0.496985  0.938773  0.679562  1
  Ti  Ti46  1  0.085348  0.588106  0.600188  1
  Ti  Ti47  1  0.419570  0.253958  0.599071  1
  Ti  Ti48  1  0.430454  0.528798  0.590702  1
  Ti  Ti49  1  0.753573  0.920068  0.599195  1
  Ti  Ti50  1  0.762404  0.194524  0.590764  1
  Ti  Ti51  1  0.762412  0.593260  0.605668  1
  Ti  Ti52  1  0.098024  0.861823  0.589497  1
  Ti  Ti53  1  0.094093  0.259846  0.606811  1
  Ti  Ti54  1  0.429016  0.927276  0.606242  1
  Ti  Ti55  1  0.161697  0.781034  0.677340  1
  Ti  Ti56  1  0.493563  0.448069  0.677940  1
  Ti  Ti57  1  0.488827  0.783376  0.664018  1
  Ti  Ti58  1  0.826524  0.113980  0.680337  1
  Ti  Ti59  1  0.821407  0.449448  0.662245  1
  Ti  Ti60  1  0.820911  0.770859  0.721783  1
  Ti  Ti61  1  0.154941  0.117335  0.663271  1
  Ti  Ti62  1  0.154818  0.436918  0.722297  1
  Ti  Ti63  1  0.488213  0.103485  0.722807  1
  Ti  Ti64  1  -0.060748  0.746394  0.683376  1
  Ti  Ti65  1  0.271678  0.411336  0.683121  1
  Ti  Ti66  1  0.291027  0.754513  0.704665  1
  Ti  Ti67  1  0.604776  0.078593  0.684367  1
  Ti  Ti68  1  0.622621  0.420862  0.705112  1
  Ti  Ti69  1  0.714118  0.793516  0.670421  1
  Ti  Ti70  1  -0.042958  0.087845  0.706121  1
  Ti  Ti71  1  0.048244  0.460210  0.670644  1
  Ti  Ti72  1  0.380448  0.126641  0.671373  1
  Ti  Ti73  1  0.919963  0.665981  0.671303  1
  Ti  Ti74  1  0.252887  0.330280  0.671836  1
  Ti  Ti75  1  0.247526  0.730179  0.635404  1
  Ti  Ti76  1  0.586768  -0.001549  0.673102  1
  Ti  Ti77  1  0.579607  0.397282  0.635644  1
  Ti  Ti78  1  0.592136  0.693858  0.652546  1
  Ti  Ti79  1  0.912949  0.064134  0.637052  1
  Ti  Ti80  1  -0.073995  0.358621  0.651761  1
  Ti  Ti81  1  0.260310  0.024356  0.652652  1
  Ti  Ti82  1  0.017342  0.602898  0.676769  1
  Ti  Ti83  1  0.353477  0.269156  0.675295  1
  Ti  Ti84  1  0.334827  0.606064  0.676116  1
  Ti  Ti85  1  0.685458  0.935852  0.675233  1
  Ti  Ti86  1  0.666323  0.273307  0.675848  1
  Ti  Ti87  1  0.562717  0.623707  0.688558  1
  Ti  Ti88  1  0.003577  0.939352  0.675541  1
  Ti  Ti89  1  0.891754  0.289802  0.687655  1
  Ti  Ti90  1  0.227335  -0.043824  0.689418  1
  Ti  Ti91  1  0.179594  0.609618  0.665450  1
  Ti  Ti92  1  0.511456  0.276077  0.664475  1
  Ti  Ti93  1  0.461515  0.594337  0.645821  1
  Ti  Ti94  1  0.848790  -0.057057  0.662814  1
  Ti  Ti95  1  0.790818  0.259753  0.645143  1
  Ti  Ti96  1  0.692118  0.599905  0.680627  1
  Ti  Ti97  1  0.128750  0.927640  0.643853  1
  Ti  Ti98  1  0.021466  0.267926  0.680403  1
  Ti  Ti99  1  0.356907  0.934703  0.679312  1
  Ti  Ti100  1  0.094320  0.537264  0.658879  1
  Ti  Ti101  1  0.427786  0.202220  0.658759  1
  Ti  Ti102  1  0.418489  0.527585  0.678472  1
  Ti  Ti103  1  0.762568  0.869150  0.658074  1
  Ti  Ti104  1  0.750345  0.193584  0.679700  1
  Ti  Ti105  1  0.758186  0.528660  0.658164  1
  Ti  Ti106  1  0.086090  0.860908  0.677810  1
  Ti  Ti107  1  0.089886  0.196542  0.659211  1
  Ti  Ti108  1  0.425021  0.862612  0.658793  1
  Ti  Ti109  1  0.052532  0.788232  0.721049  1
  Ti  Ti110  1  0.383383  0.454638  0.721064  1
  Ti  Ti111  1  0.475764  0.764100  0.749517  1
  Ti  Ti112  1  0.715802  0.121411  0.722458  1
  Ti  Ti113  1  0.809805  0.430965  0.748186  1
  Ti  Ti114  1  0.694228  0.776322  0.760798  1
  Ti  Ti115  1  0.142779  0.097361  0.748735  1
  Ti  Ti116  1  0.027223  0.442856  0.760635  1
  Ti  Ti117  1  0.360575  0.109482  0.760984  1
  Ti  Ti118  1  -0.052860  0.755584  0.770471  1
  Ti  Ti119  1  0.279124  0.421435  0.770443  1
  Ti  Ti120  1  0.196901  0.741809  0.755122  1
  Ti  Ti121  1  0.612223  0.088067  0.771386  1
  Ti  Ti122  1  0.529784  0.408705  0.756317  1
  Ti  Ti123  1  0.598676  0.756256  0.702263  1
  Ti  Ti124  1  0.865207  0.074254  0.757910  1
  Ti  Ti125  1  -0.068163  0.422618  0.700777  1
  Ti  Ti126  1  0.264746  0.088683  0.701207  1
  Ti  Ti127  1  0.888837  0.696637  0.750260  1
  Ti  Ti128  1  0.222029  0.361634  0.751086  1
  Ti  Ti129  1  0.245783  0.671969  0.701955  1
  Ti  Ti130  1  0.555499  0.027742  0.753014  1
  Ti  Ti131  1  0.577619  0.338746  0.701725  1
  Ti  Ti132  1  0.564287  0.687739  0.736016  1
  Ti  Ti133  1  0.912293  0.005136  0.702801  1
  Ti  Ti134  1  0.897246  0.354345  0.734926  1
  Ti  Ti135  1  0.231760  0.020330  0.736187  1
  Ti  Ti136  1  0.920206  0.619828  0.740021  1
  Ti  Ti137  1  0.257289  0.285275  0.739930  1
  Ti  Ti138  1  0.259353  0.606275  0.747510  1
  Ti  Ti139  1  0.590138  -0.048014  0.740677  1
  Ti  Ti140  1  0.590569  0.273444  0.746942  1
  Ti  Ti141  1  0.580422  0.610989  0.765823  1
  Ti  Ti142  1  -0.074441  0.940139  0.746664  1
  Ti  Ti143  1  0.915034  0.278266  0.764799  1
  Ti  Ti144  1  0.251095  -0.055936  0.766969  1
  Ti  Ti145  1  0.113786  0.588112  0.732504  1
  Ti  Ti146  1  0.446097  0.254480  0.732436  1
  Ti  Ti147  1  0.435393  0.588872  0.736792  1
  Ti  Ti148  1  0.782657  0.922293  0.729729  1
  Ti  Ti149  1  0.768232  0.255864  0.736217  1
  Ti  Ti150  1  0.744935  0.564806  0.743702  1
  Ti  Ti151  1  0.104283  0.922107  0.735984  1
  Ti  Ti152  1  0.078173  0.232327  0.743168  1
  Ti  Ti153  1  0.411803  0.899498  0.742052  1
  Ti  Ti154  1  0.073097  0.511550  0.735190  1
  Ti  Ti155  1  0.406707  0.178113  0.735998  1
  Ti  Ti156  1  0.394806  0.519812  0.765216  1
  Ti  Ti157  1  0.740036  0.845482  0.735052  1
  Ti  Ti158  1  0.728819  0.186903  0.766117  1
  Ti  Ti159  1  0.726318  0.479584  0.717906  1
  Ti  Ti160  1  0.062843  0.853233  0.764783  1
  Ti  Ti161  1  0.059623  0.146820  0.719607  1
  Ti  Ti162  1  0.393998  0.813832  0.720093  1
  Ti  Ti163  1  0.081027  0.775197  0.799413  1
  Ti  Ti164  1  0.412860  0.441991  0.799489  1
  Ti  Ti165  1  0.330445  0.760761  0.784150  1
  Ti  Ti166  1  0.748151  0.108368  0.799756  1
  Ti  Ti167  1  0.666465  0.429366  0.784212  1
  Ti  Ti168  1  0.679571  0.761416  0.852949  1
  Ti  Ti169  1  -0.001103  0.095216  0.785414  1
  Ti  Ti170  1  0.013256  0.428050  0.853482  1
  Ti  Ti171  1  0.345887  0.094092  0.853719  1
  Ti  Ti172  1  0.802330  0.752636  0.805642  1
  Ti  Ti173  1  0.135423  0.419412  0.806145  1
  Ti  Ti174  1  0.224483  0.728272  0.833498  1
  Ti  Ti175  1  0.468513  0.086205  0.806793  1
  Ti  Ti176  1  0.562904  0.395697  0.833456  1
  Ti  Ti177  1  0.584185  0.740875  0.794407  1
  Ti  Ti178  1  0.895747  0.061599  0.836071  1
  Ti  Ti179  1  0.917797  0.407458  0.793626  1
  Ti  Ti180  1  0.251345  0.073843  0.793899  1
  Ti  Ti181  1  0.884397  0.702966  0.835003  1
  Ti  Ti182  1  0.218561  0.369923  0.835714  1
  Ti  Ti183  1  0.215879  0.663193  0.789664  1
  Ti  Ti184  1  0.552043  0.037585  0.837329  1
  Ti  Ti185  1  0.549684  0.330445  0.789688  1
  Ti  Ti186  1  0.538401  0.671708  0.819592  1
  Ti  Ti187  1  0.883093  -0.003473  0.791504  1
  Ti  Ti188  1  0.871877  0.338997  0.818734  1
  Ti  Ti189  1  0.206099  0.005196  0.819884  1
  Ti  Ti190  1  0.866275  0.617463  0.812356  1
  Ti  Ti191  1  0.200254  0.285059  0.810993  1
  Ti  Ti192  1  0.175525  0.594711  0.819004  1
  Ti  Ti193  1  0.533641  -0.048266  0.812915  1
  Ti  Ti194  1  0.510212  0.261264  0.819050  1
  Ti  Ti195  1  0.499021  0.595428  0.824052  1
  Ti  Ti196  1  0.842278  0.927979  0.817706  1
  Ti  Ti197  1  0.832149  0.262497  0.822441  1
  Ti  Ti198  1  0.165966  0.928691  0.823064  1
  Ti  Ti199  1  0.028302  0.572473  0.788279  1
  Ti  Ti200  1  0.363114  0.238637  0.789669  1
  Ti  Ti201  1  0.355219  0.576605  0.808976  1
  Ti  Ti202  1  0.699889  0.906492  0.787526  1
  Ti  Ti203  1  0.686714  0.243992  0.808215  1
  Ti  Ti204  1  0.686166  0.565470  0.815161  1
  Ti  Ti205  1  0.021761  0.910162  0.807383  1
  Ti  Ti206  1  0.021528  0.231495  0.814458  1
  Ti  Ti207  1  0.359554  0.896243  0.815210  1
  Ti  Ti208  1  0.047143  0.496134  0.818721  1
  Ti  Ti209  1  0.381197  0.162520  0.819676  1
  Ti  Ti210  1  0.366057  0.511665  0.853626  1
  Ti  Ti211  1  0.714465  0.829528  0.818726  1
  Ti  Ti212  1  0.700659  0.178650  0.853794  1
  Ti  Ti213  1  0.723011  0.489998  0.802041  1
  Ti  Ti214  1  0.031862  0.844861  0.852990  1
  Ti  Ti215  1  0.056381  0.154999  0.804084  1
  Ti  Ti216  1  0.388943  0.819329  0.805212  1
  Ti  Ti217  1  -0.012900  0.762304  0.849868  1
  Ti  Ti218  1  0.320519  0.428842  0.850216  1
  Ti  Ti219  1  0.337977  0.769149  0.871384  1
  Ti  Ti220  1  0.655724  0.096144  0.850680  1
  Ti  Ti221  1  0.674003  0.438926  0.871041  1
  Ti  Ti222  1  0.564699  0.723383  0.884664  1
  Ti  Ti223  1  0.007203  0.105920  0.872520  1
  Ti  Ti224  1  0.897834  0.390349  0.883558  1
  Ti  Ti225  1  0.230248  0.056442  0.884110  1
  Ti  Ti226  1  0.788813  0.733384  0.891135  1
  Ti  Ti227  1  0.123325  0.399675  0.891628  1
  Ti  Ti228  1  0.115685  0.736240  0.877489  1
  Ti  Ti229  1  0.456191  0.068398  0.892699  1
  Ti  Ti230  1  0.452183  0.402775  0.876142  1
  Ti  Ti231  1  0.457267  0.745700  0.833405  1
  Ti  Ti232  1  0.785365  0.069022  0.878086  1
  Ti  Ti233  1  0.790341  0.413796  0.832182  1
  Ti  Ti234  1  0.124069  0.080063  0.832665  1
  Ti  Ti235  1  0.853503  0.654284  0.896021  1
  Ti  Ti236  1  0.188540  0.320376  0.895832  1
  Ti  Ti237  1  0.192328  0.656131  0.877043  1
  Ti  Ti238  1  0.519687  -0.010177  0.898284  1
  Ti  Ti239  1  0.528116  0.323209  0.876007  1
  Ti  Ti240  1  0.515764  0.648300  0.896811  1
  Ti  Ti241  1  0.860310  -0.011491  0.878522  1
  Ti  Ti242  1  0.850746  0.314769  0.895967  1
  Ti  Ti243  1  0.185322  -0.021182  0.896245  1
  Ti  Ti244  1  -0.077472  0.582258  0.875081  1
  Ti  Ti245  1  0.257687  0.249656  0.873319  1
  Ti  Ti246  1  0.150379  0.589642  0.911067  1
  Ti  Ti247  1  0.578821  0.918387  0.877597  1
  Ti  Ti248  1  0.486494  0.257078  0.910671  1
  Ti  Ti249  1  0.431622  0.574311  0.891694  1
  Ti  Ti250  1  0.809880  0.920740  0.906645  1
  Ti  Ti251  1  0.767024  0.241001  0.890347  1
  Ti  Ti252  1  0.097720  0.907166  0.889848  1
  Ti  Ti253  1  0.052314  0.560535  0.865579  1
  Ti  Ti254  1  0.387109  0.227139  0.866764  1
  Ti  Ti255  1  0.275482  0.577327  0.879547  1
  Ti  Ti256  1  0.705430  0.893153  0.865359  1
  Ti  Ti257  1  0.611568  0.244014  0.879656  1
  Ti  Ti258  1  0.591402  0.581170  0.881323  1
  Ti  Ti259  1  -0.058105  0.911493  0.877395  1
  Ti  Ti260  1  -0.074689  0.247828  0.879186  1
  Ti  Ti261  1  0.263347  0.913340  0.878229  1
  Ti  Ti262  1  0.018396  0.492286  0.902065  1
  Ti  Ti263  1  0.353213  0.157757  0.902650  1
  Ti  Ti264  1  0.365352  0.452904  0.919137  1
  Ti  Ti265  1  0.685427  0.823922  0.902931  1
  Ti  Ti266  1  0.698844  0.120302  0.919713  1
  Ti  Ti267  1  0.691839  0.519318  0.882329  1
  Ti  Ti268  1  0.029309  0.786993  0.919550  1
  Ti  Ti269  1  0.026079  0.187023  0.882910  1
  Ti  Ti270  1  0.357177  0.848614  0.884955  1
  Ti  Ti271  1  0.918552  0.733315  0.913442  1
  Ti  Ti272  1  0.253224  0.399994  0.914561  1
  Ti  Ti273  1  0.234632  0.726061  0.919237  1
  Ti  Ti274  1  0.587306  0.067877  0.915508  1
  Ti  Ti275  1  0.570942  0.393221  0.918549  1
  Ti  Ti276  1  0.528379  0.703973  0.965474  1
  Ti  Ti277  1  0.903934  0.059544  0.921426  1
  Ti  Ti278  1  0.863241  0.371052  0.964129  1
  Ti  Ti279  1  0.195838  0.038965  0.963979  1
  Ti  Ti280  1  0.830938  0.709638  0.968682  1
  Ti  Ti281  1  0.165357  0.374953  0.968762  1
  Ti  Ti282  1  0.124609  0.731617  0.966406  1
  Ti  Ti283  1  0.498004  0.044119  0.970299  1
  Ti  Ti284  1  0.461649  0.398306  0.965474  1
  Ti  Ti285  1  0.438682  0.733424  0.915296  1
  Ti  Ti286  1  0.792279  0.066033  0.967452  1
  Ti  Ti287  1  0.772116  0.400772  0.913980  1
  Ti  Ti288  1  0.104993  0.068842  0.914625  1
  Ti  Ti289  1  0.849834  0.589367  0.948178  1
  Ti  Ti290  1  0.184828  0.256912  0.947492  1
  Ti  Ti291  1  0.180092  0.656297  0.965871  1
  Ti  Ti292  1  0.514460  0.924526  0.951787  1
  Ti  Ti293  1  0.515956  0.322426  0.964839  1
  Ti  Ti294  1  0.523824  0.597500  0.956798  1
  Ti  Ti295  1  0.847001  -0.009774  0.965402  1
  Ti  Ti296  1  0.859012  0.263388  0.955593  1
  Ti  Ti297  1  0.194189  0.927862  0.954626  1
  Ti  Ti298  1  0.782283  0.578359  0.874860  1
  Ti  Ti299  1  0.117593  0.245364  0.873777  1
  Ti  Ti300  1  0.112584  0.582232  0.990498  1
  Ti  Ti301  1  0.443967  0.910367  0.878897  1
  Ti  Ti302  1  0.446864  0.249100  0.989807  1
  Ti  Ti303  1  0.344998  0.533024  0.940751  1
  Ti  Ti304  1  0.777507  0.915105  0.987944  1
  Ti  Ti305  1  0.681001  0.200458  0.941010  1
  Ti  Ti306  1  0.010967  0.867759  0.940021  1
  Ti  Ti307  1  -0.004183  0.553997  0.947144  1
  Ti  Ti308  1  0.329295  0.221133  0.946386  1
  Ti  Ti309  1  0.248540  0.582118  0.971127  1
  Ti  Ti310  1  0.657970  0.887228  0.947222  1
  Ti  Ti311  1  0.584304  0.248936  0.971623  1
  Ti  Ti312  1  0.684561  0.550340  0.949377  1
  Ti  Ti313  1  0.910535  0.917944  0.964733  1
  Ti  Ti314  1  0.014944  0.217347  0.949822  1
  Ti  Ti315  1  0.347918  0.885029  0.949814  1
  Ti  Ti316  1  0.006156  0.421647  0.942319  1
  Ti  Ti317  1  0.338659  0.089331  0.943479  1
  Ti  Ti318  1  0.326152  0.428557  0.986813  1
  Ti  Ti319  1  0.672635  0.754695  0.943213  1
  Ti  Ti320  1  0.658462  0.096468  0.988009  1
  Ti  Ti321  1  0.675188  0.441101  0.954729  1
  Ti  Ti322  1  -0.011127  0.761048  0.986560  1
  Ti  Ti323  1  0.009301  0.107929  0.956461  1
  Ti  Ti324  1  0.340353  0.773891  0.954805  1
  Nb  Nb325  1  -0.076044  0.531676  0.603026  1
  Nb  Nb326  1  0.255944  0.200860  0.603697  1
  Nb  Nb327  1  0.256917  0.527453  0.604727  1
  Nb  Nb328  1  0.590199  0.866067  0.604107  1
  Nb  Nb329  1  0.590582  0.193734  0.603979  1
  Nb  Nb330  1  0.610268  0.525473  0.595889  1
  Nb  Nb331  1  -0.074159  0.860583  0.603149  1
  Nb  Nb332  1  -0.058122  0.191873  0.599158  1
  Nb  Nb333  1  0.277830  0.859023  0.597760  1
  Nb  Nb334  1  0.095477  0.689718  0.601539  1
  Nb  Nb335  1  0.429784  0.356862  0.601459  1
  Nb  Nb336  1  0.444013  0.697483  0.594446  1
  Nb  Nb337  1  0.761200  0.022560  0.603472  1
  Nb  Nb338  1  0.777178  0.363697  0.594069  1
  Nb  Nb339  1  0.765829  0.699818  0.600520  1
  Nb  Nb340  1  0.112419  0.031335  0.593649  1
  Nb  Nb341  1  0.099742  0.364603  0.599530  1
  Nb  Nb342  1  0.431892  0.033453  0.600513  1
  Nb  Nb343  1  -0.075554  0.525721  0.674481  1
  Nb  Nb344  1  0.258038  0.192825  0.674883  1
  Nb  Nb345  1  0.258311  0.524645  0.676654  1
  Nb  Nb346  1  0.591548  0.859179  0.675525  1
  Nb  Nb347  1  0.590949  0.192101  0.676050  1
  Nb  Nb348  1  0.584055  0.522941  0.665800  1
  Nb  Nb349  1  -0.073594  0.858496  0.675266  1
  Nb  Nb350  1  0.914576  0.189157  0.668926  1
  Nb  Nb351  1  0.249442  0.855952  0.667386  1
  Nb  Nb352  1  0.086241  0.691595  0.673393  1
  Nb  Nb353  1  0.418844  0.358633  0.673245  1
  Nb  Nb354  1  0.422226  0.692679  0.663805  1
  Nb  Nb355  1  0.753126  0.024565  0.675321  1
  Nb  Nb356  1  0.755245  0.359072  0.663310  1
  Nb  Nb357  1  0.756847  0.696034  0.670819  1
  Nb  Nb358  1  0.089625  0.026311  0.662683  1
  Nb  Nb359  1  0.090417  0.362154  0.669934  1
  Nb  Nb360  1  0.424189  0.028912  0.670922  1
  Nb  Nb361  1  0.896099  0.523860  0.746274  1
  Nb  Nb362  1  0.229611  0.190182  0.746669  1
  Nb  Nb363  1  0.232883  0.513550  0.748657  1
  Nb  Nb364  1  0.564237  0.857331  0.747713  1
  Nb  Nb365  1  0.567177  0.180274  0.748039  1
  Nb  Nb366  1  0.569915  0.518997  0.739421  1
  Nb  Nb367  1  0.901041  0.846781  0.747059  1
  Nb  Nb368  1  0.903418  0.185705  0.742573  1
  Nb  Nb369  1  0.238301  0.852331  0.741281  1
  Nb  Nb370  1  0.071353  0.684356  0.746059  1
  Nb  Nb371  1  0.404580  0.350803  0.746146  1
  Nb  Nb372  1  0.401751  0.683376  0.735993  1
  Nb  Nb373  1  0.737497  0.017634  0.748068  1
  Nb  Nb374  1  0.733210  0.350641  0.735733  1
  Nb  Nb375  1  0.732601  0.679204  0.740702  1
  Nb  Nb376  1  0.068820  0.016727  0.734908  1
  Nb  Nb377  1  0.065712  0.346838  0.740151  1
  Nb  Nb378  1  0.399706  0.013461  0.741082  1
  Nb  Nb379  1  0.878866  0.503551  0.813984  1
  Nb  Nb380  1  0.212746  0.170164  0.814445  1
  Nb  Nb381  1  0.210181  0.500103  0.819956  1
  Nb  Nb382  1  0.544371  0.837586  0.815321  1
  Nb  Nb383  1  0.544802  0.166635  0.819286  1
  Nb  Nb384  1  0.541511  0.499706  0.807301  1
  Nb  Nb385  1  0.876856  0.833687  0.818260  1
  Nb  Nb386  1  0.873051  0.165661  0.809818  1
  Nb  Nb387  1  0.208117  0.832368  0.808479  1
  Nb  Nb388  1  0.040134  0.664406  0.813236  1
  Nb  Nb389  1  0.374998  0.331096  0.813510  1
  Nb  Nb390  1  0.377661  0.670018  0.807253  1
  Nb  Nb391  1  0.707256  -0.002127  0.815457  1
  Nb  Nb392  1  0.711812  0.336926  0.806985  1
  Nb  Nb393  1  0.714135  0.659855  0.808507  1
  Nb  Nb394  1  0.046397  0.003237  0.806204  1
  Nb  Nb395  1  0.048707  0.326720  0.807890  1
  Nb  Nb396  1  0.383613  -0.007483  0.808705  1
  Nb  Nb397  1  0.854158  0.488213  0.884178  1
  Nb  Nb398  1  0.188799  0.155043  0.884747  1
  Nb  Nb399  1  0.189038  0.490179  0.892080  1
  Nb  Nb400  1  0.520532  0.820238  0.885026  1
  Nb  Nb401  1  0.523811  0.158149  0.891740  1
  Nb  Nb402  1  0.525264  0.492286  0.880123  1
  Nb  Nb403  1  0.855206  0.823834  0.890228  1
  Nb  Nb404  1  0.860059  0.158347  0.882775  1
  Nb  Nb405  1  0.191046  0.825562  0.881199  1
  Nb  Nb406  1  0.029166  0.660963  0.887043  1
  Nb  Nb407  1  0.363988  0.328102  0.887256  1
  Nb  Nb408  1  0.352283  0.658194  0.879092  1
  Nb  Nb409  1  0.696118  -0.005421  0.889199  1
  Nb  Nb410  1  0.687468  0.325075  0.878970  1
  Nb  Nb411  1  0.686382  0.657566  0.880539  1
  Nb  Nb412  1  0.021086  -0.007287  0.878212  1
  Nb  Nb413  1  0.020495  0.324157  0.879709  1
  Nb  Nb414  1  0.355021  -0.008543  0.880498  1
  Nb  Nb415  1  0.847058  0.483317  0.954573  1
  Nb  Nb416  1  0.179752  0.152743  0.955173  1
  Nb  Nb417  1  0.166693  0.485810  0.961237  1
  Nb  Nb418  1  0.511608  0.817073  0.955415  1
  Nb  Nb419  1  0.501334  0.153716  0.961080  1
  Nb  Nb420  1  0.517143  0.494333  0.951987  1
  Nb  Nb421  1  0.833136  0.819916  0.959536  1
  Nb  Nb422  1  0.850319  0.160840  0.954536  1
  Nb  Nb423  1  0.181578  0.826531  0.953006  1
  Nb  Nb424  1  0.000413  0.657923  0.956636  1
  Nb  Nb425  1  0.336154  0.325130  0.956970  1
  Nb  Nb426  1  0.352261  0.656037  0.951249  1
  Nb  Nb427  1  0.667657  -0.007932  0.958856  1
  Nb  Nb428  1  0.687820  0.323363  0.951038  1
  Nb  Nb429  1  0.688467  0.649921  0.951805  1
  Nb  Nb430  1  0.023764  -0.010354  0.950111  1
  Nb  Nb431  1  0.022636  0.316145  0.950912  1
  Nb  Nb432  1  0.354507  -0.014564  0.952056  1
