# generated using pymatgen
data_Ti3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.64561953
_cell_length_b   19.43044161
_cell_length_c   47.39210129
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   139.57381084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al
_chemical_formula_sum   'Ti378 Al126'
_cell_volume   17702.6248005
_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  0.901966  0.575915  0.304275  1
  Ti  Ti2  1  0.568633  0.575915  0.304275  1
  Ti  Ti3  1  0.526511  0.153644  0.283569  1
  Ti  Ti4  1  0.235299  0.575915  0.304275  1
  Ti  Ti5  1  0.193178  0.153644  0.283569  1
  Ti  Ti6  1  0.280892  0.999389  0.327143  1
  Ti  Ti7  1  0.859845  0.153644  0.283569  1
  Ti  Ti8  1  0.947559  0.999389  0.327143  1
  Ti  Ti9  1  0.614226  0.999389  0.327143  1
  Ti  Ti10  1  0.868008  0.786930  0.315917  1
  Ti  Ti11  1  0.534675  0.786930  0.315917  1
  Ti  Ti12  1  0.490243  0.365094  0.293811  1
  Ti  Ti13  1  0.201342  0.786930  0.315917  1
  Ti  Ti14  1  0.156910  0.365094  0.293811  1
  Ti  Ti15  1  0.111719  0.941625  0.273799  1
  Ti  Ti16  1  0.823576  0.365094  0.293811  1
  Ti  Ti17  1  0.778386  0.941625  0.273799  1
  Ti  Ti18  1  0.445053  0.941625  0.273799  1
  Ti  Ti19  1  0.656914  0.364088  0.293831  1
  Ti  Ti20  1  0.323580  0.364088  0.293831  1
  Ti  Ti21  1  0.278227  0.937215  0.274826  1
  Ti  Ti22  1  0.990247  0.364088  0.293831  1
  Ti  Ti23  1  0.944893  0.937215  0.274826  1
  Ti  Ti24  1  0.034361  0.786682  0.315907  1
  Ti  Ti25  1  0.611560  0.937215  0.274826  1
  Ti  Ti26  1  0.701028  0.786682  0.315907  1
  Ti  Ti27  1  0.367695  0.786682  0.315907  1
  Ti  Ti28  1  0.857520  0.653764  0.283829  1
  Ti  Ti29  1  0.524187  0.653764  0.283829  1
  Ti  Ti30  1  0.612990  0.499050  0.327205  1
  Ti  Ti31  1  0.190853  0.653764  0.283829  1
  Ti  Ti32  1  0.279656  0.499050  0.327205  1
  Ti  Ti33  1  0.235473  0.075646  0.304102  1
  Ti  Ti34  1  0.946323  0.499050  0.327205  1
  Ti  Ti35  1  0.902139  0.075646  0.304102  1
  Ti  Ti36  1  0.568806  0.075646  0.304102  1
  Ti  Ti37  1  0.779500  0.499441  0.327443  1
  Ti  Ti38  1  0.446167  0.499441  0.327443  1
  Ti  Ti39  1  0.401741  0.074648  0.304137  1
  Ti  Ti40  1  0.112834  0.499441  0.327443  1
  Ti  Ti41  1  0.068407  0.074648  0.304137  1
  Ti  Ti42  1  0.017905  0.648378  0.284080  1
  Ti  Ti43  1  0.735074  0.074648  0.304137  1
  Ti  Ti44  1  0.684572  0.648378  0.284080  1
  Ti  Ti45  1  0.351239  0.648378  0.284080  1
  Ti  Ti46  1  0.608293  0.439774  0.273824  1
  Ti  Ti47  1  0.274960  0.439774  0.273824  1
  Ti  Ti48  1  0.366592  0.286645  0.315502  1
  Ti  Ti49  1  0.941626  0.439774  0.273824  1
  Ti  Ti50  1  0.033258  0.286645  0.315502  1
  Ti  Ti51  1  0.990448  0.864058  0.293337  1
  Ti  Ti52  1  0.699925  0.286645  0.315502  1
  Ti  Ti53  1  0.657115  0.864058  0.293337  1
  Ti  Ti54  1  0.323782  0.864058  0.293337  1
  Ti  Ti55  1  0.037380  0.845883  0.371801  1
  Ti  Ti56  1  0.704047  0.845883  0.371801  1
  Ti  Ti57  1  0.658730  0.422398  0.348649  1
  Ti  Ti58  1  0.370714  0.845883  0.371801  1
  Ti  Ti59  1  0.325397  0.422398  0.348649  1
  Ti  Ti60  1  0.415188  0.269180  0.393875  1
  Ti  Ti61  1  0.992063  0.422398  0.348649  1
  Ti  Ti62  1  0.081855  0.269180  0.393875  1
  Ti  Ti63  1  0.748522  0.269180  0.393875  1
  Ti  Ti64  1  0.003748  0.058411  0.382666  1
  Ti  Ti65  1  0.670415  0.058411  0.382666  1
  Ti  Ti66  1  0.625305  0.634450  0.360170  1
  Ti  Ti67  1  0.337082  0.058411  0.382666  1
  Ti  Ti68  1  0.291972  0.634450  0.360170  1
  Ti  Ti69  1  0.247017  0.211335  0.338011  1
  Ti  Ti70  1  0.958639  0.634450  0.360170  1
  Ti  Ti71  1  0.913684  0.211335  0.338011  1
  Ti  Ti72  1  0.580350  0.211335  0.338011  1
  Ti  Ti73  1  0.790974  0.632902  0.360418  1
  Ti  Ti74  1  0.457640  0.632902  0.360418  1
  Ti  Ti75  1  0.412201  0.209491  0.338261  1
  Ti  Ti76  1  0.124307  0.632902  0.360418  1
  Ti  Ti77  1  0.078868  0.209491  0.338261  1
  Ti  Ti78  1  0.169842  0.056662  0.383410  1
  Ti  Ti79  1  0.745534  0.209491  0.338261  1
  Ti  Ti80  1  0.836508  0.056662  0.383410  1
  Ti  Ti81  1  0.503175  0.056662  0.383410  1
  Ti  Ti82  1  0.991255  0.923388  0.348575  1
  Ti  Ti83  1  0.657922  0.923388  0.348575  1
  Ti  Ti84  1  0.748302  0.770441  0.393699  1
  Ti  Ti85  1  0.324589  0.923388  0.348575  1
  Ti  Ti86  1  0.414969  0.770441  0.393699  1
  Ti  Ti87  1  0.369784  0.346876  0.371193  1
  Ti  Ti88  1  0.081635  0.770441  0.393699  1
  Ti  Ti89  1  0.036451  0.346876  0.371193  1
  Ti  Ti90  1  0.703118  0.346876  0.371193  1
  Ti  Ti91  1  0.913831  0.768456  0.394234  1
  Ti  Ti92  1  0.580498  0.768456  0.394234  1
  Ti  Ti93  1  0.535273  0.344804  0.371824  1
  Ti  Ti94  1  0.247164  0.768456  0.394234  1
  Ti  Ti95  1  0.201940  0.344804  0.371824  1
  Ti  Ti96  1  0.157575  0.921505  0.348866  1
  Ti  Ti97  1  0.868606  0.344804  0.371824  1
  Ti  Ti98  1  0.824242  0.921505  0.348866  1
  Ti  Ti99  1  0.490909  0.921505  0.348866  1
  Ti  Ti100  1  0.744846  0.709886  0.338269  1
  Ti  Ti101  1  0.411512  0.709886  0.338269  1
  Ti  Ti102  1  0.502408  0.557579  0.382937  1
  Ti  Ti103  1  0.078179  0.709886  0.338269  1
  Ti  Ti104  1  0.169075  0.557579  0.382937  1
  Ti  Ti105  1  0.123462  0.134012  0.360569  1
  Ti  Ti106  1  0.835742  0.557579  0.382937  1
  Ti  Ti107  1  0.790129  0.134012  0.360569  1
  Ti  Ti108  1  0.456796  0.134012  0.360569  1
  Ti  Ti109  1  0.172019  0.116305  0.438605  1
  Ti  Ti110  1  0.838686  0.116305  0.438605  1
  Ti  Ti111  1  0.793709  0.692682  0.416251  1
  Ti  Ti112  1  0.505352  0.116305  0.438605  1
  Ti  Ti113  1  0.460376  0.692682  0.416251  1
  Ti  Ti114  1  0.550406  0.539574  0.460931  1
  Ti  Ti115  1  0.127043  0.692682  0.416251  1
  Ti  Ti116  1  0.217073  0.539574  0.460931  1
  Ti  Ti117  1  0.883740  0.539574  0.460931  1
  Ti  Ti118  1  0.139033  0.328905  0.449589  1
  Ti  Ti119  1  0.805700  0.328905  0.449589  1
  Ti  Ti120  1  0.760611  0.905367  0.427387  1
  Ti  Ti121  1  0.472367  0.328905  0.449589  1
  Ti  Ti122  1  0.427277  0.905367  0.427387  1
  Ti  Ti123  1  0.382311  0.481924  0.404774  1
  Ti  Ti124  1  0.093944  0.905367  0.427387  1
  Ti  Ti125  1  0.048978  0.481924  0.404774  1
  Ti  Ti126  1  0.715645  0.481924  0.404774  1
  Ti  Ti127  1  0.926231  0.903299  0.427695  1
  Ti  Ti128  1  0.592898  0.903299  0.427695  1
  Ti  Ti129  1  0.547833  0.479763  0.405319  1
  Ti  Ti130  1  0.259565  0.903299  0.427695  1
  Ti  Ti131  1  0.214500  0.479763  0.405319  1
  Ti  Ti132  1  0.304574  0.326681  0.449947  1
  Ti  Ti133  1  0.881166  0.479763  0.405319  1
  Ti  Ti134  1  0.971240  0.326681  0.449947  1
  Ti  Ti135  1  0.637907  0.326681  0.449947  1
  Ti  Ti136  1  0.126590  0.193873  0.416118  1
  Ti  Ti137  1  0.793257  0.193873  0.416118  1
  Ti  Ti138  1  0.883382  0.040806  0.460705  1
  Ti  Ti139  1  0.459924  0.193873  0.416118  1
  Ti  Ti140  1  0.550049  0.040806  0.460705  1
  Ti  Ti141  1  0.505009  0.617308  0.438433  1
  Ti  Ti142  1  0.216716  0.040806  0.460705  1
  Ti  Ti143  1  0.171676  0.617308  0.438433  1
  Ti  Ti144  1  0.838343  0.617308  0.438433  1
  Ti  Ti145  1  0.048928  0.038507  0.461109  1
  Ti  Ti146  1  0.715595  0.038507  0.461109  1
  Ti  Ti147  1  0.670574  0.615112  0.438813  1
  Ti  Ti148  1  0.382261  0.038507  0.461109  1
  Ti  Ti149  1  0.337240  0.615112  0.438813  1
  Ti  Ti150  1  0.292322  0.191957  0.416481  1
  Ti  Ti151  1  0.003907  0.615112  0.438813  1
  Ti  Ti152  1  0.958989  0.191957  0.416481  1
  Ti  Ti153  1  0.625656  0.191957  0.416481  1
  Ti  Ti154  1  0.880652  0.980724  0.405079  1
  Ti  Ti155  1  0.547318  0.980724  0.405079  1
  Ti  Ti156  1  0.637615  0.827867  0.449823  1
  Ti  Ti157  1  0.213985  0.980724  0.405079  1
  Ti  Ti158  1  0.304282  0.827867  0.449823  1
  Ti  Ti159  1  0.259110  0.404285  0.427516  1
  Ti  Ti160  1  0.970948  0.827867  0.449823  1
  Ti  Ti161  1  0.925777  0.404285  0.427516  1
  Ti  Ti162  1  0.592444  0.404285  0.427516  1
  Ti  Ti163  1  0.307220  0.386578  0.505594  1
  Ti  Ti164  1  0.973887  0.386578  0.505594  1
  Ti  Ti165  1  0.928827  0.963071  0.483265  1
  Ti  Ti166  1  0.640554  0.386578  0.505594  1
  Ti  Ti167  1  0.595494  0.963071  0.483265  1
  Ti  Ti168  1  0.685587  0.809903  0.527930  1
  Ti  Ti169  1  0.262161  0.963071  0.483265  1
  Ti  Ti170  1  0.352254  0.809903  0.527930  1
  Ti  Ti171  1  0.018920  0.809903  0.527930  1
  Ti  Ti172  1  0.274260  0.599295  0.516627  1
  Ti  Ti173  1  0.940927  0.599295  0.516627  1
  Ti  Ti174  1  0.895871  0.175867  0.494272  1
  Ti  Ti175  1  0.607593  0.599295  0.516627  1
  Ti  Ti176  1  0.562538  0.175867  0.494272  1
  Ti  Ti177  1  0.517459  0.752331  0.471922  1
  Ti  Ti178  1  0.229205  0.175867  0.494272  1
  Ti  Ti179  1  0.184125  0.752331  0.471922  1
  Ti  Ti180  1  0.850792  0.752331  0.471922  1
  Ti  Ti181  1  0.061380  0.173564  0.494664  1
  Ti  Ti182  1  0.728046  0.173564  0.494664  1
  Ti  Ti183  1  0.682981  0.750070  0.472353  1
  Ti  Ti184  1  0.394713  0.173564  0.494664  1
  Ti  Ti185  1  0.349647  0.750070  0.472353  1
  Ti  Ti186  1  0.439766  0.596998  0.516986  1
  Ti  Ti187  1  0.016314  0.750070  0.472353  1
  Ti  Ti188  1  0.106433  0.596998  0.516986  1
  Ti  Ti189  1  0.773099  0.596998  0.516986  1
  Ti  Ti190  1  0.261809  0.464271  0.483098  1
  Ti  Ti191  1  0.928476  0.464271  0.483098  1
  Ti  Ti192  1  0.018594  0.311199  0.527731  1
  Ti  Ti193  1  0.595142  0.464271  0.483098  1
  Ti  Ti194  1  0.685261  0.311199  0.527731  1
  Ti  Ti195  1  0.640195  0.887705  0.505421  1
  Ti  Ti196  1  0.351927  0.311199  0.527731  1
  Ti  Ti197  1  0.306862  0.887705  0.505421  1
  Ti  Ti198  1  0.973528  0.887705  0.505421  1
  Ti  Ti199  1  0.184116  0.308938  0.528162  1
  Ti  Ti200  1  0.850783  0.308938  0.528162  1
  Ti  Ti201  1  0.805703  0.885402  0.505813  1
  Ti  Ti202  1  0.517449  0.308938  0.528162  1
  Ti  Ti203  1  0.472370  0.885402  0.505813  1
  Ti  Ti204  1  0.427315  0.461974  0.483458  1
  Ti  Ti205  1  0.139037  0.885402  0.505813  1
  Ti  Ti206  1  0.093981  0.461974  0.483458  1
  Ti  Ti207  1  0.760648  0.461974  0.483458  1
  Ti  Ti208  1  0.015988  0.251367  0.472154  1
  Ti  Ti209  1  0.682654  0.251367  0.472154  1
  Ti  Ti210  1  0.772747  0.098199  0.516820  1
  Ti  Ti211  1  0.349321  0.251367  0.472154  1
  Ti  Ti212  1  0.439414  0.098199  0.516820  1
  Ti  Ti213  1  0.394354  0.674691  0.494491  1
  Ti  Ti214  1  0.106081  0.098199  0.516820  1
  Ti  Ti215  1  0.061021  0.674691  0.494491  1
  Ti  Ti216  1  0.727688  0.674691  0.494491  1
  Ti  Ti217  1  0.442464  0.656984  0.572569  1
  Ti  Ti218  1  0.109131  0.656984  0.572569  1
  Ti  Ti219  1  0.063960  0.233402  0.550261  1
  Ti  Ti220  1  0.775798  0.656984  0.572569  1
  Ti  Ti221  1  0.730626  0.233402  0.550261  1
  Ti  Ti222  1  0.820923  0.080546  0.595006  1
  Ti  Ti223  1  0.397293  0.233402  0.550261  1
  Ti  Ti224  1  0.487590  0.080546  0.595006  1
  Ti  Ti225  1  0.154256  0.080546  0.595006  1
  Ti  Ti226  1  0.409252  0.869312  0.583603  1
  Ti  Ti227  1  0.075919  0.869312  0.583603  1
  Ti  Ti228  1  0.031001  0.446157  0.561271  1
  Ti  Ti229  1  0.742586  0.869312  0.583603  1
  Ti  Ti230  1  0.697668  0.446157  0.561271  1
  Ti  Ti231  1  0.652647  0.022762  0.538976  1
  Ti  Ti232  1  0.364334  0.446157  0.561271  1
  Ti  Ti233  1  0.319313  0.022762  0.538976  1
  Ti  Ti234  1  0.985980  0.022762  0.538976  1
  Ti  Ti235  1  0.196565  0.443961  0.561652  1
  Ti  Ti236  1  0.863232  0.443961  0.561652  1
  Ti  Ti237  1  0.818192  0.020464  0.539380  1
  Ti  Ti238  1  0.529899  0.443961  0.561652  1
  Ti  Ti239  1  0.484859  0.020464  0.539380  1
  Ti  Ti240  1  0.574984  0.867396  0.583966  1
  Ti  Ti241  1  0.151526  0.020464  0.539380  1
  Ti  Ti242  1  0.241651  0.867396  0.583966  1
  Ti  Ti243  1  0.908318  0.867396  0.583966  1
  Ti  Ti244  1  0.397001  0.734589  0.550137  1
  Ti  Ti245  1  0.063668  0.734589  0.550137  1
  Ti  Ti246  1  0.153742  0.581506  0.594766  1
  Ti  Ti247  1  0.730335  0.734589  0.550137  1
  Ti  Ti248  1  0.820408  0.581506  0.594766  1
  Ti  Ti249  1  0.775343  0.157970  0.572390  1
  Ti  Ti250  1  0.487075  0.581506  0.594766  1
  Ti  Ti251  1  0.442010  0.157970  0.572390  1
  Ti  Ti252  1  0.108677  0.157970  0.572390  1
  Ti  Ti253  1  0.319263  0.579345  0.595311  1
  Ti  Ti254  1  0.985930  0.579345  0.595311  1
  Ti  Ti255  1  0.940964  0.155902  0.572697  1
  Ti  Ti256  1  0.652597  0.579345  0.595311  1
  Ti  Ti257  1  0.607631  0.155902  0.572697  1
  Ti  Ti258  1  0.562541  0.732364  0.550495  1
  Ti  Ti259  1  0.274297  0.155902  0.572697  1
  Ti  Ti260  1  0.229208  0.732364  0.550495  1
  Ti  Ti261  1  0.895875  0.732364  0.550495  1
  Ti  Ti262  1  0.151168  0.521695  0.539153  1
  Ti  Ti263  1  0.817835  0.521695  0.539153  1
  Ti  Ti264  1  0.907865  0.368587  0.583834  1
  Ti  Ti265  1  0.484502  0.521695  0.539153  1
  Ti  Ti266  1  0.574532  0.368587  0.583834  1
  Ti  Ti267  1  0.529556  0.944964  0.561480  1
  Ti  Ti268  1  0.241199  0.368587  0.583834  1
  Ti  Ti269  1  0.196223  0.944964  0.561480  1
  Ti  Ti270  1  0.862889  0.944964  0.561480  1
  Ti  Ti271  1  0.578112  0.927257  0.639515  1
  Ti  Ti272  1  0.244779  0.927257  0.639515  1
  Ti  Ti273  1  0.199166  0.503691  0.617148  1
  Ti  Ti274  1  0.911446  0.927257  0.639515  1
  Ti  Ti275  1  0.865833  0.503691  0.617148  1
  Ti  Ti276  1  0.956729  0.351383  0.661815  1
  Ti  Ti277  1  0.532500  0.503691  0.617148  1
  Ti  Ti278  1  0.623396  0.351383  0.661815  1
  Ti  Ti279  1  0.290062  0.351383  0.661815  1
  Ti  Ti280  1  0.543999  0.139764  0.651218  1
  Ti  Ti281  1  0.210666  0.139764  0.651218  1
  Ti  Ti282  1  0.166302  0.716466  0.628261  1
  Ti  Ti283  1  0.877333  0.139764  0.651218  1
  Ti  Ti284  1  0.832968  0.716466  0.628261  1
  Ti  Ti285  1  0.787744  0.292813  0.605851  1
  Ti  Ti286  1  0.499635  0.716466  0.628261  1
  Ti  Ti287  1  0.454410  0.292813  0.605851  1
  Ti  Ti288  1  0.121077  0.292813  0.605851  1
  Ti  Ti289  1  0.331790  0.714393  0.628891  1
  Ti  Ti290  1  0.998457  0.714393  0.628891  1
  Ti  Ti291  1  0.953273  0.290828  0.606386  1
  Ti  Ti292  1  0.665124  0.714393  0.628891  1
  Ti  Ti293  1  0.619940  0.290828  0.606386  1
  Ti  Ti294  1  0.710319  0.137882  0.651510  1
  Ti  Ti295  1  0.286606  0.290828  0.606386  1
  Ti  Ti296  1  0.376986  0.137882  0.651510  1
  Ti  Ti297  1  0.043653  0.137882  0.651510  1
  Ti  Ti298  1  0.531733  0.004607  0.616675  1
  Ti  Ti299  1  0.198400  0.004607  0.616675  1
  Ti  Ti300  1  0.289374  0.851778  0.661824  1
  Ti  Ti301  1  0.865066  0.004607  0.616675  1
  Ti  Ti302  1  0.956040  0.851778  0.661824  1
  Ti  Ti303  1  0.910601  0.428367  0.639666  1
  Ti  Ti304  1  0.622707  0.851778  0.661824  1
  Ti  Ti305  1  0.577268  0.428367  0.639666  1
  Ti  Ti306  1  0.243935  0.428367  0.639666  1
  Ti  Ti307  1  0.454558  0.849934  0.662074  1
  Ti  Ti308  1  0.121224  0.849934  0.662074  1
  Ti  Ti309  1  0.076270  0.426819  0.639914  1
  Ti  Ti310  1  0.787891  0.849934  0.662074  1
  Ti  Ti311  1  0.742936  0.426819  0.639914  1
  Ti  Ti312  1  0.697826  1.002859  0.617419  1
  Ti  Ti313  1  0.409603  0.426819  0.639914  1
  Ti  Ti314  1  0.364493  1.002859  0.617419  1
  Ti  Ti315  1  0.031160  1.002859  0.617419  1
  Ti  Ti316  1  0.286386  0.792089  0.606209  1
  Ti  Ti317  1  0.953053  0.792089  0.606209  1
  Ti  Ti318  1  0.042845  0.638871  0.651435  1
  Ti  Ti319  1  0.619720  0.792089  0.606209  1
  Ti  Ti320  1  0.709511  0.638871  0.651435  1
  Ti  Ti321  1  0.664194  0.215386  0.628283  1
  Ti  Ti322  1  0.376178  0.638871  0.651435  1
  Ti  Ti323  1  0.330861  0.215386  0.628283  1
  Ti  Ti324  1  0.997528  0.215386  0.628283  1
  Ti  Ti325  1  0.711126  0.197212  0.706748  1
  Ti  Ti326  1  0.377793  0.197212  0.706748  1
  Ti  Ti327  1  0.334983  0.774624  0.684582  1
  Ti  Ti328  1  0.044460  0.197212  0.706748  1
  Ti  Ti329  1  1.001650  0.774624  0.684582  1
  Ti  Ti330  1  0.093282  0.621496  0.726261  1
  Ti  Ti331  1  0.668316  0.774624  0.684582  1
  Ti  Ti332  1  0.759949  0.621496  0.726261  1
  Ti  Ti333  1  0.426615  0.621496  0.726261  1
  Ti  Ti334  1  0.683669  0.412891  0.716005  1
  Ti  Ti335  1  0.350336  0.412891  0.716005  1
  Ti  Ti336  1  0.299834  0.986622  0.695947  1
  Ti  Ti337  1  0.017003  0.412891  0.716005  1
  Ti  Ti338  1  0.966501  0.986622  0.695947  1
  Ti  Ti339  1  0.922074  0.561828  0.672641  1
  Ti  Ti340  1  0.633168  0.986622  0.695947  1
  Ti  Ti341  1  0.588741  0.561828  0.672641  1
  Ti  Ti342  1  0.255408  0.561828  0.672641  1
  Ti  Ti343  1  0.466102  0.985623  0.695983  1
  Ti  Ti344  1  0.132769  0.985623  0.695983  1
  Ti  Ti345  1  0.088585  0.562220  0.672880  1
  Ti  Ti346  1  0.799435  0.985623  0.695983  1
  Ti  Ti347  1  0.755252  0.562220  0.672880  1
  Ti  Ti348  1  0.844055  0.407505  0.716255  1
  Ti  Ti349  1  0.421918  0.562220  0.672880  1
  Ti  Ti350  1  0.510721  0.407505  0.716255  1
  Ti  Ti351  1  0.177388  0.407505  0.716255  1
  Ti  Ti352  1  0.667213  0.274587  0.684178  1
  Ti  Ti353  1  0.333880  0.274587  0.684178  1
  Ti  Ti354  1  0.423348  0.124054  0.725259  1
  Ti  Ti355  1  1.000547  0.274587  0.684178  1
  Ti  Ti356  1  0.090015  0.124054  0.725259  1
  Ti  Ti357  1  0.044661  0.697181  0.706254  1
  Ti  Ti358  1  0.756681  0.124054  0.725259  1
  Ti  Ti359  1  0.711328  0.697181  0.706254  1
  Ti  Ti360  1  0.377994  0.697181  0.706254  1
  Ti  Ti361  1  0.589855  0.119644  0.726286  1
  Ti  Ti362  1  0.256522  0.119644  0.726286  1
  Ti  Ti363  1  0.211332  0.696175  0.706274  1
  Ti  Ti364  1  0.923189  0.119644  0.726286  1
  Ti  Ti365  1  0.877999  0.696175  0.706274  1
  Ti  Ti366  1  0.833567  0.274339  0.684168  1
  Ti  Ti367  1  0.544665  0.696175  0.706274  1
  Ti  Ti368  1  0.500233  0.274339  0.684168  1
  Ti  Ti369  1  0.166900  0.274339  0.684168  1
  Ti  Ti370  1  0.420682  0.061880  0.672941  1
  Ti  Ti371  1  0.087349  0.061880  0.672941  1
  Ti  Ti372  1  0.175063  0.907626  0.716516  1
  Ti  Ti373  1  0.754016  0.061880  0.672941  1
  Ti  Ti374  1  0.841730  0.907626  0.716516  1
  Ti  Ti375  1  0.799609  0.485354  0.695809  1
  Ti  Ti376  1  0.508397  0.907626  0.716516  1
  Ti  Ti377  1  0.466275  0.485354  0.695809  1
  Ti  Ti378  1  0.132942  0.485354  0.695809  1
  Al  Al379  1  0.734711  0.576469  0.304599  1
  Al  Al380  1  0.401378  0.576469  0.304599  1
  Al  Al381  1  0.356427  0.151235  0.283875  1
  Al  Al382  1  0.068044  0.576469  0.304599  1
  Al  Al383  1  0.023093  0.151235  0.283875  1
  Al  Al384  1  0.113362  0.999796  0.328082  1
  Al  Al385  1  0.689760  0.151235  0.283875  1
  Al  Al386  1  0.780029  0.999796  0.328082  1
  Al  Al387  1  0.446695  0.999796  0.328082  1
  Al  Al388  1  0.778214  0.441128  0.273898  1
  Al  Al389  1  0.444881  0.441128  0.273898  1
  Al  Al390  1  0.533772  0.285589  0.316422  1
  Al  Al391  1  0.111548  0.441128  0.273898  1
  Al  Al392  1  0.200439  0.285589  0.316422  1
  Al  Al393  1  0.155365  0.861248  0.293971  1
  Al  Al394  1  0.867106  0.285589  0.316422  1
  Al  Al395  1  0.822032  0.861248  0.293971  1
  Al  Al396  1  0.488699  0.861248  0.293971  1
  Al  Al397  1  0.869501  0.845713  0.371609  1
  Al  Al398  1  0.536168  0.845713  0.371609  1
  Al  Al399  1  0.491003  0.422462  0.349264  1
  Al  Al400  1  0.202835  0.845713  0.371609  1
  Al  Al401  1  0.157670  0.422462  0.349264  1
  Al  Al402  1  0.248048  0.269630  0.393817  1
  Al  Al403  1  0.824337  0.422462  0.349264  1
  Al  Al404  1  0.914715  0.269630  0.393817  1
  Al  Al405  1  0.581382  0.269630  0.393817  1
  Al  Al406  1  0.913774  0.711311  0.338704  1
  Al  Al407  1  0.580440  0.711311  0.338704  1
  Al  Al408  1  0.669751  0.557158  0.382895  1
  Al  Al409  1  0.247107  0.711311  0.338704  1
  Al  Al410  1  0.336418  0.557158  0.382895  1
  Al  Al411  1  0.291175  0.133853  0.360468  1
  Al  Al412  1  1.003085  0.557158  0.382895  1
  Al  Al413  1  0.957842  0.133853  0.360468  1
  Al  Al414  1  0.624509  0.133853  0.360468  1
  Al  Al415  1  0.004695  0.116204  0.438606  1
  Al  Al416  1  0.671361  0.116204  0.438606  1
  Al  Al417  1  0.626361  0.692657  0.416275  1
  Al  Al418  1  0.338028  0.116204  0.438606  1
  Al  Al419  1  0.293027  0.692657  0.416275  1
  Al  Al420  1  0.383126  0.539593  0.460895  1
  Al  Al421  1  0.959694  0.692657  0.416275  1
  Al  Al422  1  0.049793  0.539593  0.460895  1
  Al  Al423  1  0.716459  0.539593  0.460895  1
  Al  Al424  1  0.047996  0.980768  0.405040  1
  Al  Al425  1  0.714663  0.980768  0.405040  1
  Al  Al426  1  0.804866  0.827768  0.449802  1
  Al  Al427  1  0.381330  0.980768  0.405040  1
  Al  Al428  1  0.471533  0.827768  0.449802  1
  Al  Al429  1  0.426452  0.404328  0.427428  1
  Al  Al430  1  0.138200  0.827768  0.449802  1
  Al  Al431  1  0.093119  0.404328  0.427428  1
  Al  Al432  1  0.759786  0.404328  0.427428  1
  Al  Al433  1  0.139921  0.386560  0.505606  1
  Al  Al434  1  0.806588  0.386560  0.505606  1
  Al  Al435  1  0.761556  0.963153  0.483309  1
  Al  Al436  1  0.473255  0.386560  0.505606  1
  Al  Al437  1  0.428223  0.963153  0.483309  1
  Al  Al438  1  0.518328  0.809984  0.527918  1
  Al  Al439  1  0.094890  0.963153  0.483309  1
  Al  Al440  1  0.184995  0.809984  0.527918  1
  Al  Al441  1  0.851661  0.809984  0.527918  1
  Al  Al442  1  0.183247  0.251286  0.472166  1
  Al  Al443  1  0.849913  0.251286  0.472166  1
  Al  Al444  1  0.940018  0.098116  0.516776  1
  Al  Al445  1  0.516580  0.251286  0.472166  1
  Al  Al446  1  0.606685  0.098116  0.516776  1
  Al  Al447  1  0.561653  0.674710  0.494479  1
  Al  Al448  1  0.273352  0.098116  0.516776  1
  Al  Al449  1  0.228320  0.674710  0.494479  1
  Al  Al450  1  0.894987  0.674710  0.494479  1
  Al  Al451  1  0.275123  0.656941  0.572657  1
  Al  Al452  1  0.941789  0.656941  0.572657  1
  Al  Al453  1  0.896709  0.233501  0.550283  1
  Al  Al454  1  0.608456  0.656941  0.572657  1
  Al  Al455  1  0.563375  0.233501  0.550283  1
  Al  Al456  1  0.653578  0.080501  0.595044  1
  Al  Al457  1  0.230042  0.233501  0.550283  1
  Al  Al458  1  0.320245  0.080501  0.595044  1
  Al  Al459  1  0.986912  0.080501  0.595044  1
  Al  Al460  1  0.318449  0.521676  0.539190  1
  Al  Al461  1  0.985115  0.521676  0.539190  1
  Al  Al462  1  0.075214  0.368612  0.583810  1
  Al  Al463  1  0.651782  0.521676  0.539190  1
  Al  Al464  1  0.741881  0.368612  0.583810  1
  Al  Al465  1  0.696880  0.945065  0.561479  1
  Al  Al466  1  0.408547  0.368612  0.583810  1
  Al  Al467  1  0.363547  0.945065  0.561479  1
  Al  Al468  1  0.030213  0.945065  0.561479  1
  Al  Al469  1  0.410399  0.927416  0.639616  1
  Al  Al470  1  0.077066  0.927416  0.639616  1
  Al  Al471  1  0.031824  0.504111  0.617189  1
  Al  Al472  1  0.743733  0.927416  0.639616  1
  Al  Al473  1  0.698490  0.504111  0.617189  1
  Al  Al474  1  0.787801  0.349958  0.661381  1
  Al  Al475  1  0.365157  0.504111  0.617189  1
  Al  Al476  1  0.454468  0.349958  0.661381  1
  Al  Al477  1  0.121134  0.349958  0.661381  1
  Al  Al478  1  0.453526  0.791639  0.606268  1
  Al  Al479  1  0.120193  0.791639  0.606268  1
  Al  Al480  1  0.210571  0.638808  0.650821  1
  Al  Al481  1  0.786860  0.791639  0.606268  1
  Al  Al482  1  0.877238  0.638808  0.650821  1
  Al  Al483  1  0.832073  0.215556  0.628475  1
  Al  Al484  1  0.543905  0.638808  0.650821  1
  Al  Al485  1  0.498740  0.215556  0.628475  1
  Al  Al486  1  0.165407  0.215556  0.628475  1
  Al  Al487  1  0.546209  0.200021  0.706114  1
  Al  Al488  1  0.212876  0.200021  0.706114  1
  Al  Al489  1  0.167802  0.775680  0.683663  1
  Al  Al490  1  0.879543  0.200021  0.706114  1
  Al  Al491  1  0.834469  0.775680  0.683663  1
  Al  Al492  1  0.923360  0.620141  0.726186  1
  Al  Al493  1  0.501136  0.775680  0.683663  1
  Al  Al494  1  0.590027  0.620141  0.726186  1
  Al  Al495  1  0.256694  0.620141  0.726186  1
  Al  Al496  1  0.588213  0.061473  0.672003  1
  Al  Al497  1  0.254880  0.061473  0.672003  1
  Al  Al498  1  0.345148  0.910035  0.716210  1
  Al  Al499  1  0.921546  0.061473  0.672003  1
  Al  Al500  1  0.011815  0.910035  0.716210  1
  Al  Al501  1  0.966864  0.484800  0.695485  1
  Al  Al502  1  0.678482  0.910035  0.716210  1
  Al  Al503  1  0.633530  0.484800  0.695485  1
  Al  Al504  1  0.300197  0.484800  0.695485  1
