# generated using pymatgen
data_Ti3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.40224996
_cell_length_b   20.38330122
_cell_length_c   53.06618489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al
_chemical_formula_sum   'Ti432 Al144'
_cell_volume   21957.7607931
_cell_formula_units_Z   144
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  0.315992  0.682509  0.301870  1
  Ti  Ti2  1  0.649325  0.349176  0.301870  1
  Ti  Ti3  1  0.620031  0.653684  0.339847  1
  Ti  Ti4  1  0.982658  0.015843  0.301870  1
  Ti  Ti5  1  0.953364  0.320351  0.339847  1
  Ti  Ti6  1  0.925637  0.618608  0.377330  1
  Ti  Ti7  1  0.286697  0.987018  0.339847  1
  Ti  Ti8  1  0.258971  0.285274  0.377330  1
  Ti  Ti9  1  0.592304  0.951941  0.377330  1
  Ti  Ti10  1  0.334763  0.539775  0.287675  1
  Ti  Ti11  1  0.668096  0.206441  0.287675  1
  Ti  Ti12  1  0.636736  0.501807  0.322647  1
  Ti  Ti13  1  1.001429  0.873108  0.287675  1
  Ti  Ti14  1  0.970069  0.168473  0.322647  1
  Ti  Ti15  1  0.938965  0.467681  0.356463  1
  Ti  Ti16  1  0.303402  0.835140  0.322647  1
  Ti  Ti17  1  0.272299  0.134347  0.356463  1
  Ti  Ti18  1  0.605632  0.801014  0.356463  1
  Ti  Ti19  1  0.075969  0.604610  0.294982  1
  Ti  Ti20  1  0.409303  0.271276  0.294982  1
  Ti  Ti21  1  0.377830  0.580338  0.330700  1
  Ti  Ti22  1  0.742636  0.937943  0.294982  1
  Ti  Ti23  1  0.711164  0.247005  0.330700  1
  Ti  Ti24  1  0.682977  0.544573  0.367687  1
  Ti  Ti25  1  0.044497  0.913671  0.330700  1
  Ti  Ti26  1  0.016311  0.211240  0.367687  1
  Ti  Ti27  1  0.349644  0.877907  0.367687  1
  Ti  Ti28  1  0.106492  0.443731  0.385885  1
  Ti  Ti29  1  0.439825  0.110398  0.385885  1
  Ti  Ti30  1  0.492514  0.509178  0.311274  1
  Ti  Ti31  1  0.773159  0.777064  0.385885  1
  Ti  Ti32  1  0.825848  0.175845  0.311274  1
  Ti  Ti33  1  0.801151  0.475842  0.347199  1
  Ti  Ti34  1  0.159181  0.842512  0.311274  1
  Ti  Ti35  1  0.134484  0.142509  0.347199  1
  Ti  Ti36  1  0.467818  0.809175  0.347199  1
  Ti  Ti37  1  0.179268  0.695697  0.294234  1
  Ti  Ti38  1  0.512601  0.362363  0.294234  1
  Ti  Ti39  1  0.483665  0.660903  0.331312  1
  Ti  Ti40  1  0.845934  0.029030  0.294234  1
  Ti  Ti41  1  0.816998  0.327570  0.331312  1
  Ti  Ti42  1  0.786689  0.627834  0.367576  1
  Ti  Ti43  1  0.150331  0.994237  0.331312  1
  Ti  Ti44  1  0.120023  0.294500  0.367576  1
  Ti  Ti45  1  0.453356  0.961167  0.367576  1
  Ti  Ti46  1  0.250923  0.433728  0.301165  1
  Ti  Ti47  1  0.584257  0.100395  0.301165  1
  Ti  Ti48  1  0.559582  0.402668  0.338560  1
  Ti  Ti49  1  0.917590  0.767061  0.301165  1
  Ti  Ti50  1  0.892915  0.069335  0.338560  1
  Ti  Ti51  1  0.862755  0.370213  0.377440  1
  Ti  Ti52  1  0.226249  0.736002  0.338560  1
  Ti  Ti53  1  0.196088  0.036880  0.377440  1
  Ti  Ti54  1  0.529421  0.703547  0.377440  1
  Ti  Ti55  1  0.301151  0.475842  0.347199  1
  Ti  Ti56  1  0.634484  0.142509  0.347199  1
  Ti  Ti57  1  0.606492  0.443731  0.385885  1
  Ti  Ti58  1  0.967818  0.809175  0.347199  1
  Ti  Ti59  1  0.939825  0.110398  0.385885  1
  Ti  Ti60  1  0.992514  0.509178  0.311274  1
  Ti  Ti61  1  0.273159  0.777064  0.385885  1
  Ti  Ti62  1  0.325848  0.175845  0.311274  1
  Ti  Ti63  1  0.659181  0.842512  0.311274  1
  Ti  Ti64  1  0.286689  0.627834  0.367576  1
  Ti  Ti65  1  0.620023  0.294500  0.367576  1
  Ti  Ti66  1  0.679268  0.695697  0.294234  1
  Ti  Ti67  1  0.953356  0.961167  0.367576  1
  Ti  Ti68  1  0.012601  0.362363  0.294234  1
  Ti  Ti69  1  0.983665  0.660903  0.331312  1
  Ti  Ti70  1  0.345934  0.029030  0.294234  1
  Ti  Ti71  1  0.316998  0.327570  0.331312  1
  Ti  Ti72  1  0.650331  0.994237  0.331312  1
  Ti  Ti73  1  0.059582  0.402668  0.338560  1
  Ti  Ti74  1  0.392915  0.069335  0.338560  1
  Ti  Ti75  1  0.362755  0.370213  0.377440  1
  Ti  Ti76  1  0.726249  0.736002  0.338560  1
  Ti  Ti77  1  0.696088  0.036880  0.377440  1
  Ti  Ti78  1  0.750923  0.433728  0.301165  1
  Ti  Ti79  1  0.029421  0.703547  0.377440  1
  Ti  Ti80  1  0.084257  0.100395  0.301165  1
  Ti  Ti81  1  0.417590  0.767061  0.301165  1
  Ti  Ti82  1  0.120031  0.653684  0.339847  1
  Ti  Ti83  1  0.453364  0.320351  0.339847  1
  Ti  Ti84  1  0.425637  0.618608  0.377330  1
  Ti  Ti85  1  0.786697  0.987018  0.339847  1
  Ti  Ti86  1  0.758971  0.285274  0.377330  1
  Ti  Ti87  1  0.815992  0.682509  0.301870  1
  Ti  Ti88  1  0.092304  0.951941  0.377330  1
  Ti  Ti89  1  0.149325  0.349176  0.301870  1
  Ti  Ti90  1  0.482658  0.015843  0.301870  1
  Ti  Ti91  1  0.136736  0.501807  0.322647  1
  Ti  Ti92  1  0.470069  0.168473  0.322647  1
  Ti  Ti93  1  0.438965  0.467681  0.356463  1
  Ti  Ti94  1  0.803402  0.835140  0.322647  1
  Ti  Ti95  1  0.772299  0.134347  0.356463  1
  Ti  Ti96  1  0.834763  0.539775  0.287675  1
  Ti  Ti97  1  0.105632  0.801014  0.356463  1
  Ti  Ti98  1  0.168096  0.206441  0.287675  1
  Ti  Ti99  1  0.501429  0.873108  0.287675  1
  Ti  Ti100  1  0.182977  0.544573  0.367687  1
  Ti  Ti101  1  0.516311  0.211240  0.367687  1
  Ti  Ti102  1  0.575969  0.604610  0.294982  1
  Ti  Ti103  1  0.849644  0.877907  0.367687  1
  Ti  Ti104  1  0.909303  0.271276  0.294982  1
  Ti  Ti105  1  0.877830  0.580338  0.330700  1
  Ti  Ti106  1  0.242636  0.937943  0.294982  1
  Ti  Ti107  1  0.211164  0.247005  0.330700  1
  Ti  Ti108  1  0.544497  0.913671  0.330700  1
  Ti  Ti109  1  0.230607  0.586381  0.414035  1
  Ti  Ti110  1  0.563940  0.253048  0.414035  1
  Ti  Ti111  1  0.535012  0.552653  0.451055  1
  Ti  Ti112  1  0.897274  0.919715  0.414035  1
  Ti  Ti113  1  0.868345  0.219320  0.451055  1
  Ti  Ti114  1  0.840288  0.519289  0.488512  1
  Ti  Ti115  1  0.201679  0.885986  0.451055  1
  Ti  Ti116  1  0.173622  0.185956  0.488512  1
  Ti  Ti117  1  0.506955  0.852622  0.488512  1
  Ti  Ti118  1  0.244359  0.435947  0.394909  1
  Ti  Ti119  1  0.577692  0.102613  0.394909  1
  Ti  Ti120  1  0.550024  0.403010  0.432840  1
  Ti  Ti121  1  0.911026  0.769280  0.394909  1
  Ti  Ti122  1  0.883358  0.069676  0.432840  1
  Ti  Ti123  1  0.854875  0.370286  0.470361  1
  Ti  Ti124  1  0.216691  0.736343  0.432840  1
  Ti  Ti125  1  0.188209  0.036953  0.470361  1
  Ti  Ti126  1  0.521542  0.703619  0.470361  1
  Ti  Ti127  1  0.987534  0.509611  0.404115  1
  Ti  Ti128  1  0.320868  0.176278  0.404115  1
  Ti  Ti129  1  0.292793  0.477706  0.441537  1
  Ti  Ti130  1  0.654201  0.842945  0.404115  1
  Ti  Ti131  1  0.626126  0.144372  0.441537  1
  Ti  Ti132  1  0.597871  0.445038  0.479251  1
  Ti  Ti133  1  0.959460  0.811039  0.441537  1
  Ti  Ti134  1  0.931204  0.111705  0.479251  1
  Ti  Ti135  1  0.264538  0.778371  0.479251  1
  Ti  Ti136  1  0.021469  0.345027  0.498615  1
  Ti  Ti137  1  0.354802  0.011694  0.498615  1
  Ti  Ti138  1  0.411369  0.411142  0.423803  1
  Ti  Ti139  1  0.688136  0.678361  0.498615  1
  Ti  Ti140  1  0.744702  0.077809  0.423803  1
  Ti  Ti141  1  0.716107  0.378509  0.461192  1
  Ti  Ti142  1  0.078036  0.744476  0.423803  1
  Ti  Ti143  1  0.049440  0.045176  0.461192  1
  Ti  Ti144  1  0.382774  0.711843  0.461192  1
  Ti  Ti145  1  0.091949  0.594889  0.404748  1
  Ti  Ti146  1  0.425282  0.261555  0.404748  1
  Ti  Ti147  1  0.397090  0.560791  0.441819  1
  Ti  Ti148  1  0.758616  0.928222  0.404748  1
  Ti  Ti149  1  0.730424  0.227457  0.441819  1
  Ti  Ti150  1  0.702604  0.527850  0.479507  1
  Ti  Ti151  1  0.063757  0.894124  0.441819  1
  Ti  Ti152  1  0.035937  0.194516  0.479507  1
  Ti  Ti153  1  0.369270  0.861183  0.479507  1
  Ti  Ti154  1  0.168079  0.336345  0.414398  1
  Ti  Ti155  1  0.501412  1.003011  0.414398  1
  Ti  Ti156  1  0.473251  0.302910  0.451723  1
  Ti  Ti157  1  0.834746  0.669678  0.414398  1
  Ti  Ti158  1  0.806584  0.969577  0.451723  1
  Ti  Ti159  1  0.778018  0.269693  0.488861  1
  Ti  Ti160  1  0.139918  0.636244  0.451723  1
  Ti  Ti161  1  0.111351  0.936359  0.488861  1
  Ti  Ti162  1  0.444685  0.603026  0.488861  1
  Ti  Ti163  1  0.216107  0.378509  0.461192  1
  Ti  Ti164  1  0.549440  0.045176  0.461192  1
  Ti  Ti165  1  0.521469  0.345027  0.498615  1
  Ti  Ti166  1  0.882774  0.711843  0.461192  1
  Ti  Ti167  1  0.854802  0.011694  0.498615  1
  Ti  Ti168  1  0.911369  0.411142  0.423803  1
  Ti  Ti169  1  0.188136  0.678361  0.498615  1
  Ti  Ti170  1  0.244702  0.077809  0.423803  1
  Ti  Ti171  1  0.578036  0.744476  0.423803  1
  Ti  Ti172  1  0.202604  0.527850  0.479507  1
  Ti  Ti173  1  0.535937  0.194516  0.479507  1
  Ti  Ti174  1  0.591949  0.594889  0.404748  1
  Ti  Ti175  1  0.869270  0.861183  0.479507  1
  Ti  Ti176  1  0.925282  0.261555  0.404748  1
  Ti  Ti177  1  0.897090  0.560791  0.441819  1
  Ti  Ti178  1  0.258616  0.928222  0.404748  1
  Ti  Ti179  1  0.230424  0.227457  0.441819  1
  Ti  Ti180  1  0.563757  0.894124  0.441819  1
  Ti  Ti181  1  0.973251  0.302910  0.451723  1
  Ti  Ti182  1  0.306584  0.969577  0.451723  1
  Ti  Ti183  1  0.278018  0.269693  0.488861  1
  Ti  Ti184  1  0.639918  0.636244  0.451723  1
  Ti  Ti185  1  0.611351  0.936359  0.488861  1
  Ti  Ti186  1  0.668079  0.336345  0.414398  1
  Ti  Ti187  1  0.944685  0.603026  0.488861  1
  Ti  Ti188  1  1.001412  1.003011  0.414398  1
  Ti  Ti189  1  0.334746  0.669678  0.414398  1
  Ti  Ti190  1  0.035012  0.552653  0.451055  1
  Ti  Ti191  1  0.368345  0.219320  0.451055  1
  Ti  Ti192  1  0.340288  0.519289  0.488512  1
  Ti  Ti193  1  0.701679  0.885986  0.451055  1
  Ti  Ti194  1  0.673622  0.185956  0.488512  1
  Ti  Ti195  1  0.730607  0.586381  0.414035  1
  Ti  Ti196  1  0.006955  0.852622  0.488512  1
  Ti  Ti197  1  0.063940  0.253048  0.414035  1
  Ti  Ti198  1  0.397274  0.919715  0.414035  1
  Ti  Ti199  1  0.050024  0.403010  0.432840  1
  Ti  Ti200  1  0.383358  0.069676  0.432840  1
  Ti  Ti201  1  0.354875  0.370286  0.470361  1
  Ti  Ti202  1  0.716691  0.736343  0.432840  1
  Ti  Ti203  1  0.688209  0.036953  0.470361  1
  Ti  Ti204  1  0.744359  0.435947  0.394909  1
  Ti  Ti205  1  0.021542  0.703619  0.470361  1
  Ti  Ti206  1  0.077692  0.102613  0.394909  1
  Ti  Ti207  1  0.411026  0.769280  0.394909  1
  Ti  Ti208  1  0.097871  0.445038  0.479251  1
  Ti  Ti209  1  0.431204  0.111705  0.479251  1
  Ti  Ti210  1  0.487534  0.509611  0.404115  1
  Ti  Ti211  1  0.764538  0.778371  0.479251  1
  Ti  Ti212  1  0.820868  0.176278  0.404115  1
  Ti  Ti213  1  0.792793  0.477706  0.441537  1
  Ti  Ti214  1  0.154201  0.842945  0.404115  1
  Ti  Ti215  1  0.126126  0.144372  0.441537  1
  Ti  Ti216  1  0.459460  0.811039  0.441537  1
  Ti  Ti217  1  0.145132  0.486121  0.525884  1
  Ti  Ti218  1  0.478465  0.152787  0.525884  1
  Ti  Ti219  1  0.450144  0.453708  0.563882  1
  Ti  Ti220  1  0.811799  0.819454  0.525884  1
  Ti  Ti221  1  0.783477  0.120375  0.563882  1
  Ti  Ti222  1  0.755498  0.420887  0.601639  1
  Ti  Ti223  1  0.116810  0.787042  0.563882  1
  Ti  Ti224  1  0.088831  0.087554  0.601639  1
  Ti  Ti225  1  0.422165  0.754221  0.601639  1
  Ti  Ti226  1  0.159743  0.337183  0.507769  1
  Ti  Ti227  1  0.493077  1.003850  0.507769  1
  Ti  Ti228  1  0.464998  0.303544  0.545092  1
  Ti  Ti229  1  0.826410  0.670517  0.507769  1
  Ti  Ti230  1  0.798331  0.970210  0.545092  1
  Ti  Ti231  1  0.770926  0.269776  0.582355  1
  Ti  Ti232  1  0.131665  0.636877  0.545092  1
  Ti  Ti233  1  0.104260  0.936442  0.582355  1
  Ti  Ti234  1  0.437593  0.603109  0.582355  1
  Ti  Ti235  1  0.903157  0.411848  0.517007  1
  Ti  Ti236  1  0.236490  0.078514  0.517007  1
  Ti  Ti237  1  0.208190  0.378649  0.554588  1
  Ti  Ti238  1  0.569824  0.745181  0.517007  1
  Ti  Ti239  1  0.541524  0.045316  0.554588  1
  Ti  Ti240  1  0.513099  0.345892  0.592150  1
  Ti  Ti241  1  0.874857  0.711983  0.554588  1
  Ti  Ti242  1  0.846433  0.012559  0.592150  1
  Ti  Ti243  1  0.179766  0.679225  0.592150  1
  Ti  Ti244  1  0.935761  0.244113  0.609779  1
  Ti  Ti245  1  0.269094  0.910780  0.609779  1
  Ti  Ti246  1  0.326481  0.311284  0.535731  1
  Ti  Ti247  1  0.602427  0.577446  0.609779  1
  Ti  Ti248  1  0.659814  0.977950  0.535731  1
  Ti  Ti249  1  0.630976  0.277722  0.572605  1
  Ti  Ti250  1  0.993147  0.644617  0.535731  1
  Ti  Ti251  1  0.964309  0.944389  0.572605  1
  Ti  Ti252  1  0.297643  0.611055  0.572605  1
  Ti  Ti253  1  0.007552  0.494984  0.517106  1
  Ti  Ti254  1  0.340886  0.161651  0.517106  1
  Ti  Ti255  1  0.312959  0.462260  0.554900  1
  Ti  Ti256  1  0.674219  0.828317  0.517106  1
  Ti  Ti257  1  0.646293  0.128926  0.554900  1
  Ti  Ti258  1  0.618013  0.429866  0.592742  1
  Ti  Ti259  1  0.979626  0.795593  0.554900  1
  Ti  Ti260  1  0.951346  0.096533  0.592742  1
  Ti  Ti261  1  0.284680  0.763200  0.592742  1
  Ti  Ti262  1  0.083166  0.236139  0.526146  1
  Ti  Ti263  1  0.416499  0.902806  0.526146  1
  Ti  Ti264  1  0.388025  0.202447  0.563701  1
  Ti  Ti265  1  0.749833  0.569473  0.526146  1
  Ti  Ti266  1  0.721358  0.869113  0.563701  1
  Ti  Ti267  1  0.693317  0.171166  0.601881  1
  Ti  Ti268  1  0.054691  0.535780  0.563701  1
  Ti  Ti269  1  0.026651  0.837832  0.601881  1
  Ti  Ti270  1  0.359984  0.504499  0.601881  1
  Ti  Ti271  1  0.130976  0.277722  0.572605  1
  Ti  Ti272  1  0.464309  0.944389  0.572605  1
  Ti  Ti273  1  0.435761  0.244113  0.609779  1
  Ti  Ti274  1  0.797643  0.611055  0.572605  1
  Ti  Ti275  1  0.769094  0.910780  0.609779  1
  Ti  Ti276  1  0.826481  0.311284  0.535731  1
  Ti  Ti277  1  0.102427  0.577446  0.609779  1
  Ti  Ti278  1  0.159814  0.977950  0.535731  1
  Ti  Ti279  1  0.493147  0.644617  0.535731  1
  Ti  Ti280  1  0.118013  0.429866  0.592742  1
  Ti  Ti281  1  0.451346  0.096533  0.592742  1
  Ti  Ti282  1  0.507552  0.494984  0.517106  1
  Ti  Ti283  1  0.784680  0.763200  0.592742  1
  Ti  Ti284  1  0.840886  0.161651  0.517106  1
  Ti  Ti285  1  0.812959  0.462260  0.554900  1
  Ti  Ti286  1  0.174219  0.828317  0.517106  1
  Ti  Ti287  1  0.146293  0.128926  0.554900  1
  Ti  Ti288  1  0.479626  0.795593  0.554900  1
  Ti  Ti289  1  0.888025  0.202447  0.563701  1
  Ti  Ti290  1  0.221358  0.869113  0.563701  1
  Ti  Ti291  1  0.193317  0.171166  0.601881  1
  Ti  Ti292  1  0.554691  0.535780  0.563701  1
  Ti  Ti293  1  0.526651  0.837832  0.601881  1
  Ti  Ti294  1  0.583166  0.236139  0.526146  1
  Ti  Ti295  1  0.859984  0.504499  0.601881  1
  Ti  Ti296  1  0.916499  0.902806  0.526146  1
  Ti  Ti297  1  0.249833  0.569473  0.526146  1
  Ti  Ti298  1  0.950144  0.453708  0.563882  1
  Ti  Ti299  1  0.283477  0.120375  0.563882  1
  Ti  Ti300  1  0.255498  0.420887  0.601639  1
  Ti  Ti301  1  0.616810  0.787042  0.563882  1
  Ti  Ti302  1  0.588831  0.087554  0.601639  1
  Ti  Ti303  1  0.645132  0.486121  0.525884  1
  Ti  Ti304  1  0.922165  0.754221  0.601639  1
  Ti  Ti305  1  0.978465  0.152787  0.525884  1
  Ti  Ti306  1  0.311799  0.819454  0.525884  1
  Ti  Ti307  1  0.964998  0.303544  0.545092  1
  Ti  Ti308  1  0.298331  0.970210  0.545092  1
  Ti  Ti309  1  0.270926  0.269776  0.582355  1
  Ti  Ti310  1  0.631665  0.636877  0.545092  1
  Ti  Ti311  1  0.604260  0.936442  0.582355  1
  Ti  Ti312  1  0.659743  0.337183  0.507769  1
  Ti  Ti313  1  0.937593  0.603109  0.582355  1
  Ti  Ti314  1  0.993077  1.003850  0.507769  1
  Ti  Ti315  1  0.326410  0.670517  0.507769  1
  Ti  Ti316  1  0.013099  0.345892  0.592150  1
  Ti  Ti317  1  0.346433  0.012559  0.592150  1
  Ti  Ti318  1  0.403157  0.411848  0.517007  1
  Ti  Ti319  1  0.679766  0.679225  0.592150  1
  Ti  Ti320  1  0.736490  0.078514  0.517007  1
  Ti  Ti321  1  0.708190  0.378649  0.554588  1
  Ti  Ti322  1  0.069824  0.745181  0.517007  1
  Ti  Ti323  1  0.041524  0.045316  0.554588  1
  Ti  Ti324  1  0.374857  0.711983  0.554588  1
  Ti  Ti325  1  0.062810  0.387326  0.638898  1
  Ti  Ti326  1  0.396144  0.053992  0.638898  1
  Ti  Ti327  1  0.369004  0.359029  0.677986  1
  Ti  Ti328  1  0.729477  0.720659  0.638898  1
  Ti  Ti329  1  0.702337  0.025696  0.677986  1
  Ti  Ti330  1  0.662401  0.310879  0.709320  1
  Ti  Ti331  1  0.035670  0.692363  0.677986  1
  Ti  Ti332  1  0.995734  0.977546  0.709320  1
  Ti  Ti333  1  0.329067  0.644213  0.709320  1
  Ti  Ti334  1  0.074615  0.236598  0.619007  1
  Ti  Ti335  1  0.407949  0.903265  0.619007  1
  Ti  Ti336  1  0.379169  0.204841  0.657532  1
  Ti  Ti337  1  0.741282  0.569932  0.619007  1
  Ti  Ti338  1  0.712502  0.871507  0.657532  1
  Ti  Ti339  1  0.689281  0.170327  0.695327  1
  Ti  Ti340  1  0.045836  0.538174  0.657532  1
  Ti  Ti341  1  0.022614  0.836994  0.695327  1
  Ti  Ti342  1  0.355948  0.503661  0.695327  1
  Ti  Ti343  1  0.819776  0.312947  0.630007  1
  Ti  Ti344  1  0.153109  0.979614  0.630007  1
  Ti  Ti345  1  0.121316  0.279134  0.665159  1
  Ti  Ti346  1  0.486442  0.646281  0.630007  1
  Ti  Ti347  1  0.454649  0.945800  0.665159  1
  Ti  Ti348  1  0.427391  0.238120  0.702376  1
  Ti  Ti349  1  0.787983  0.612467  0.665159  1
  Ti  Ti350  1  0.760724  0.904787  0.702376  1
  Ti  Ti351  1  0.094058  0.571453  0.702376  1
  Ti  Ti352  1  0.837317  0.139643  0.716569  1
  Ti  Ti353  1  0.170650  0.806310  0.716569  1
  Ti  Ti354  1  0.241070  0.213938  0.648939  1
  Ti  Ti355  1  0.503984  0.472977  0.716569  1
  Ti  Ti356  1  0.574404  0.880604  0.648939  1
  Ti  Ti357  1  0.550019  0.185814  0.686878  1
  Ti  Ti358  1  0.907737  0.547271  0.648939  1
  Ti  Ti359  1  0.883352  0.852481  0.686878  1
  Ti  Ti360  1  0.216685  0.519148  0.686878  1
  Ti  Ti361  1  0.921473  0.396085  0.629025  1
  Ti  Ti362  1  0.254806  0.062752  0.629025  1
  Ti  Ti363  1  0.226688  0.361483  0.664784  1
  Ti  Ti364  1  0.588140  0.729419  0.629025  1
  Ti  Ti365  1  0.560021  0.028150  0.664784  1
  Ti  Ti366  1  0.525926  0.332931  0.702154  1
  Ti  Ti367  1  0.893355  0.694817  0.664784  1
  Ti  Ti368  1  0.859259  0.999598  0.702154  1
  Ti  Ti369  1  0.192593  0.666264  0.702154  1
  Ti  Ti370  1  0.999015  0.140742  0.640151  1
  Ti  Ti371  1  0.332348  0.807409  0.640151  1
  Ti  Ti372  1  0.305775  0.104129  0.673372  1
  Ti  Ti373  1  0.665681  0.474075  0.640151  1
  Ti  Ti374  1  0.639109  0.770796  0.673372  1
  Ti  Ti375  1  0.594916  0.068790  0.709004  1
  Ti  Ti376  1  0.972442  0.437463  0.673372  1
  Ti  Ti377  1  0.928249  0.735457  0.709004  1
  Ti  Ti378  1  0.261583  0.402123  0.709004  1
  Ti  Ti379  1  0.050019  0.185814  0.686878  1
  Ti  Ti380  1  0.383352  0.852481  0.686878  1
  Ti  Ti381  1  0.337317  0.139643  0.716569  1
  Ti  Ti382  1  0.716685  0.519148  0.686878  1
  Ti  Ti383  1  0.670650  0.806310  0.716569  1
  Ti  Ti384  1  0.741070  0.213938  0.648939  1
  Ti  Ti385  1  0.003984  0.472977  0.716569  1
  Ti  Ti386  1  0.074404  0.880604  0.648939  1
  Ti  Ti387  1  0.407737  0.547271  0.648939  1
  Ti  Ti388  1  0.025926  0.332931  0.702154  1
  Ti  Ti389  1  0.359259  0.999598  0.702154  1
  Ti  Ti390  1  0.421473  0.396085  0.629025  1
  Ti  Ti391  1  0.692593  0.666264  0.702154  1
  Ti  Ti392  1  0.754806  0.062752  0.629025  1
  Ti  Ti393  1  0.726688  0.361483  0.664784  1
  Ti  Ti394  1  0.088140  0.729419  0.629025  1
  Ti  Ti395  1  0.060021  0.028150  0.664784  1
  Ti  Ti396  1  0.393355  0.694817  0.664784  1
  Ti  Ti397  1  0.805775  0.104129  0.673372  1
  Ti  Ti398  1  0.139109  0.770796  0.673372  1
  Ti  Ti399  1  0.094916  0.068790  0.709004  1
  Ti  Ti400  1  0.472442  0.437463  0.673372  1
  Ti  Ti401  1  0.428249  0.735457  0.709004  1
  Ti  Ti402  1  0.499015  0.140742  0.640151  1
  Ti  Ti403  1  0.761583  0.402123  0.709004  1
  Ti  Ti404  1  0.832348  0.807409  0.640151  1
  Ti  Ti405  1  0.165681  0.474075  0.640151  1
  Ti  Ti406  1  0.869004  0.359029  0.677986  1
  Ti  Ti407  1  0.202337  0.025696  0.677986  1
  Ti  Ti408  1  0.162401  0.310879  0.709320  1
  Ti  Ti409  1  0.535670  0.692363  0.677986  1
  Ti  Ti410  1  0.495734  0.977546  0.709320  1
  Ti  Ti411  1  0.562810  0.387326  0.638898  1
  Ti  Ti412  1  0.829067  0.644213  0.709320  1
  Ti  Ti413  1  0.896144  0.053992  0.638898  1
  Ti  Ti414  1  0.229477  0.720659  0.638898  1
  Ti  Ti415  1  0.879169  0.204841  0.657532  1
  Ti  Ti416  1  0.212502  0.871507  0.657532  1
  Ti  Ti417  1  0.189281  0.170327  0.695327  1
  Ti  Ti418  1  0.545836  0.538174  0.657532  1
  Ti  Ti419  1  0.522614  0.836994  0.695327  1
  Ti  Ti420  1  0.574615  0.236598  0.619007  1
  Ti  Ti421  1  0.855948  0.503661  0.695327  1
  Ti  Ti422  1  0.907949  0.903265  0.619007  1
  Ti  Ti423  1  0.241282  0.569932  0.619007  1
  Ti  Ti424  1  0.927391  0.238120  0.702376  1
  Ti  Ti425  1  0.260724  0.904787  0.702376  1
  Ti  Ti426  1  0.319776  0.312947  0.630007  1
  Ti  Ti427  1  0.594058  0.571453  0.702376  1
  Ti  Ti428  1  0.653109  0.979614  0.630007  1
  Ti  Ti429  1  0.621316  0.279134  0.665159  1
  Ti  Ti430  1  0.986442  0.646281  0.630007  1
  Ti  Ti431  1  0.954649  0.945800  0.665159  1
  Ti  Ti432  1  0.287983  0.612467  0.665159  1
  Al  Al433  1  0.043360  0.551704  0.358001  1
  Al  Al434  1  0.376694  0.218371  0.358001  1
  Al  Al435  1  0.437786  0.623032  0.285930  1
  Al  Al436  1  0.710027  0.885038  0.358001  1
  Al  Al437  1  0.771119  0.289698  0.285930  1
  Al  Al438  1  0.737319  0.586079  0.321347  1
  Al  Al439  1  0.104452  0.956365  0.285930  1
  Al  Al440  1  0.070653  0.252746  0.321347  1
  Al  Al441  1  0.403986  0.919413  0.321347  1
  Al  Al442  1  0.197660  0.391697  0.348578  1
  Al  Al443  1  0.530993  0.058364  0.348578  1
  Al  Al444  1  0.590050  0.461537  0.279180  1
  Al  Al445  1  0.864327  0.725031  0.348578  1
  Al  Al446  1  0.923383  0.128204  0.279180  1
  Al  Al447  1  0.890745  0.423124  0.310085  1
  Al  Al448  1  0.256716  0.794870  0.279180  1
  Al  Al449  1  0.224078  0.089791  0.310085  1
  Al  Al450  1  0.557411  0.756457  0.310085  1
  Al  Al451  1  0.090050  0.461537  0.279180  1
  Al  Al452  1  0.423383  0.128204  0.279180  1
  Al  Al453  1  0.390745  0.423124  0.310085  1
  Al  Al454  1  0.756716  0.794870  0.279180  1
  Al  Al455  1  0.724078  0.089791  0.310085  1
  Al  Al456  1  0.697660  0.391697  0.348578  1
  Al  Al457  1  0.057411  0.756457  0.310085  1
  Al  Al458  1  0.030993  0.058364  0.348578  1
  Al  Al459  1  0.364327  0.725031  0.348578  1
  Al  Al460  1  0.237319  0.586079  0.321347  1
  Al  Al461  1  0.570653  0.252746  0.321347  1
  Al  Al462  1  0.543360  0.551704  0.358001  1
  Al  Al463  1  0.903986  0.919413  0.321347  1
  Al  Al464  1  0.876694  0.218371  0.358001  1
  Al  Al465  1  0.937786  0.623032  0.285930  1
  Al  Al466  1  0.210027  0.885038  0.358001  1
  Al  Al467  1  0.271119  0.289698  0.285930  1
  Al  Al468  1  0.604452  0.956365  0.285930  1
  Al  Al469  1  0.959230  0.453227  0.470389  1
  Al  Al470  1  0.292563  0.119894  0.470389  1
  Al  Al471  1  0.348738  0.517965  0.394633  1
  Al  Al472  1  0.625897  0.786561  0.470389  1
  Al  Al473  1  0.682071  0.184632  0.394633  1
  Al  Al474  1  0.654038  0.486410  0.432641  1
  Al  Al475  1  0.015404  0.851299  0.394633  1
  Al  Al476  1  0.987371  0.153077  0.432641  1
  Al  Al477  1  0.320705  0.819744  0.432641  1
  Al  Al478  1  0.112215  0.294758  0.460934  1
  Al  Al479  1  0.445549  0.961425  0.460934  1
  Al  Al480  1  0.501912  0.361931  0.386069  1
  Al  Al481  1  0.778882  0.628092  0.460934  1
  Al  Al482  1  0.835245  0.028598  0.386069  1
  Al  Al483  1  0.806768  0.328430  0.423744  1
  Al  Al484  1  0.168579  0.695265  0.386069  1
  Al  Al485  1  0.140101  0.995097  0.423744  1
  Al  Al486  1  0.473435  0.661763  0.423744  1
  Al  Al487  1  1.001912  0.361931  0.386069  1
  Al  Al488  1  0.335245  0.028598  0.386069  1
  Al  Al489  1  0.306768  0.328430  0.423744  1
  Al  Al490  1  0.668579  0.695265  0.386069  1
  Al  Al491  1  0.640101  0.995097  0.423744  1
  Al  Al492  1  0.612215  0.294758  0.460934  1
  Al  Al493  1  0.973435  0.661763  0.423744  1
  Al  Al494  1  0.945549  0.961425  0.460934  1
  Al  Al495  1  0.278882  0.628092  0.460934  1
  Al  Al496  1  0.154038  0.486410  0.432641  1
  Al  Al497  1  0.487371  0.153077  0.432641  1
  Al  Al498  1  0.459230  0.453227  0.470389  1
  Al  Al499  1  0.820705  0.819744  0.432641  1
  Al  Al500  1  0.792563  0.119894  0.470389  1
  Al  Al501  1  0.848738  0.517965  0.394633  1
  Al  Al502  1  0.125897  0.786561  0.470389  1
  Al  Al503  1  0.182071  0.184632  0.394633  1
  Al  Al504  1  0.515404  0.851299  0.394633  1
  Al  Al505  1  0.873860  0.353635  0.582542  1
  Al  Al506  1  0.207193  0.020302  0.582542  1
  Al  Al507  1  0.264362  0.420116  0.508023  1
  Al  Al508  1  0.540526  0.686968  0.582542  1
  Al  Al509  1  0.597695  0.086782  0.508023  1
  Al  Al510  1  0.569153  0.387426  0.545610  1
  Al  Al511  1  0.931028  0.753449  0.508023  1
  Al  Al512  1  0.902486  0.054093  0.545610  1
  Al  Al513  1  0.235819  0.720760  0.545610  1
  Al  Al514  1  0.026967  0.194350  0.572519  1
  Al  Al515  1  0.360300  0.861017  0.572519  1
  Al  Al516  1  0.417107  0.261412  0.498082  1
  Al  Al517  1  0.693634  0.527683  0.572519  1
  Al  Al518  1  0.750441  0.928078  0.498082  1
  Al  Al519  1  0.722203  0.228169  0.535399  1
  Al  Al520  1  0.083774  0.594745  0.498082  1
  Al  Al521  1  0.055536  0.894835  0.535399  1
  Al  Al522  1  0.388870  0.561502  0.535399  1
  Al  Al523  1  0.917107  0.261412  0.498082  1
  Al  Al524  1  0.250441  0.928078  0.498082  1
  Al  Al525  1  0.222203  0.228169  0.535399  1
  Al  Al526  1  0.583774  0.594745  0.498082  1
  Al  Al527  1  0.555536  0.894835  0.535399  1
  Al  Al528  1  0.526967  0.194350  0.572519  1
  Al  Al529  1  0.888870  0.561502  0.535399  1
  Al  Al530  1  0.860300  0.861017  0.572519  1
  Al  Al531  1  0.193634  0.527683  0.572519  1
  Al  Al532  1  0.069153  0.387426  0.545610  1
  Al  Al533  1  0.402486  0.054093  0.545610  1
  Al  Al534  1  0.373860  0.353635  0.582542  1
  Al  Al535  1  0.735819  0.720760  0.545610  1
  Al  Al536  1  0.707193  0.020302  0.582542  1
  Al  Al537  1  0.764362  0.420116  0.508023  1
  Al  Al538  1  0.040526  0.686968  0.582542  1
  Al  Al539  1  0.097695  0.086782  0.508023  1
  Al  Al540  1  0.431028  0.753449  0.508023  1
  Al  Al541  1  0.789487  0.260294  0.694416  1
  Al  Al542  1  0.122820  0.926961  0.694416  1
  Al  Al543  1  0.179500  0.318993  0.618930  1
  Al  Al544  1  0.456153  0.593627  0.694416  1
  Al  Al545  1  0.512834  0.985660  0.618930  1
  Al  Al546  1  0.482542  0.287446  0.656055  1
  Al  Al547  1  0.846167  0.652326  0.618930  1
  Al  Al548  1  0.815875  0.954113  0.656055  1
  Al  Al549  1  0.149209  0.620780  0.656055  1
  Al  Al550  1  0.945725  0.097779  0.685804  1
  Al  Al551  1  0.279058  0.764446  0.685804  1
  Al  Al552  1  0.331662  0.161838  0.610952  1
  Al  Al553  1  0.612392  0.431112  0.685804  1
  Al  Al554  1  0.664996  0.828505  0.610952  1
  Al  Al555  1  0.637324  0.130310  0.648678  1
  Al  Al556  1  0.998329  0.495171  0.610952  1
  Al  Al557  1  0.970658  0.796977  0.648678  1
  Al  Al558  1  0.303991  0.463643  0.648678  1
  Al  Al559  1  0.831662  0.161838  0.610952  1
  Al  Al560  1  0.164996  0.828505  0.610952  1
  Al  Al561  1  0.137324  0.130310  0.648678  1
  Al  Al562  1  0.498329  0.495171  0.610952  1
  Al  Al563  1  0.470658  0.796977  0.648678  1
  Al  Al564  1  0.445725  0.097779  0.685804  1
  Al  Al565  1  0.803991  0.463643  0.648678  1
  Al  Al566  1  0.779058  0.764446  0.685804  1
  Al  Al567  1  0.112392  0.431112  0.685804  1
  Al  Al568  1  0.982542  0.287446  0.656055  1
  Al  Al569  1  0.315875  0.954113  0.656055  1
  Al  Al570  1  0.289487  0.260294  0.694416  1
  Al  Al571  1  0.649209  0.620780  0.656055  1
  Al  Al572  1  0.622820  0.926961  0.694416  1
  Al  Al573  1  0.679500  0.318993  0.618930  1
  Al  Al574  1  0.956153  0.593627  0.694416  1
  Al  Al575  1  0.012834  0.985660  0.618930  1
  Al  Al576  1  0.346167  0.652326  0.618930  1
