# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.34193364
_cell_length_b   14.26084214
_cell_length_c   48.08455213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.32058366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti168 Al336'
_cell_volume   16785.6490962
_cell_formula_units_Z   168
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  0.679777  0.126939  0.290600  1
  Ti  Ti2  1  0.690468  0.732369  0.270466  1
  Ti  Ti3  1  0.165420  0.026758  0.311962  1
  Ti  Ti4  1  0.665420  0.526758  0.311962  1
  Ti  Ti5  1  0.179777  0.626939  0.290600  1
  Ti  Ti6  1  0.190468  0.232369  0.270466  1
  Ti  Ti7  1  0.766862  0.183020  0.279963  1
  Ti  Ti8  1  0.742798  0.972932  0.322831  1
  Ti  Ti9  1  0.253454  0.078108  0.300810  1
  Ti  Ti10  1  0.753454  0.578108  0.300810  1
  Ti  Ti11  1  0.266862  0.683020  0.279963  1
  Ti  Ti12  1  0.242798  0.472932  0.322831  1
  Ti  Ti13  1  0.421883  0.576228  0.300839  1
  Ti  Ti14  1  0.434900  0.179380  0.280763  1
  Ti  Ti15  1  0.908498  0.474081  0.323334  1
  Ti  Ti16  1  0.408498  0.974081  0.323334  1
  Ti  Ti17  1  0.921883  0.076228  0.300839  1
  Ti  Ti18  1  0.934900  0.679380  0.280763  1
  Ti  Ti19  1  0.486447  0.419585  0.334239  1
  Ti  Ti20  1  0.498461  0.024989  0.312101  1
  Ti  Ti21  1  0.009476  0.130676  0.290096  1
  Ti  Ti22  1  0.509476  0.630676  0.290096  1
  Ti  Ti23  1  0.986447  0.919585  0.334239  1
  Ti  Ti24  1  0.998461  0.524989  0.312101  1
  Ti  Ti25  1  0.640911  0.313889  0.356111  1
  Ti  Ti26  1  0.652720  0.920889  0.333493  1
  Ti  Ti27  1  0.128269  0.208838  0.379387  1
  Ti  Ti28  1  0.628269  0.708838  0.379387  1
  Ti  Ti29  1  0.140911  0.813889  0.356111  1
  Ti  Ti30  1  0.152720  0.420889  0.333493  1
  Ti  Ti31  1  0.729526  0.367393  0.344690  1
  Ti  Ti32  1  0.705501  0.156014  0.390090  1
  Ti  Ti33  1  0.217681  0.262271  0.367798  1
  Ti  Ti34  1  0.717681  0.762271  0.367798  1
  Ti  Ti35  1  0.229526  0.867393  0.344690  1
  Ti  Ti36  1  0.205501  0.656014  0.390090  1
  Ti  Ti37  1  0.384921  0.761754  0.367813  1
  Ti  Ti38  1  0.397457  0.366287  0.344730  1
  Ti  Ti39  1  0.872292  0.656140  0.390271  1
  Ti  Ti40  1  0.372292  0.156140  0.390271  1
  Ti  Ti41  1  0.884921  0.261754  0.367813  1
  Ti  Ti42  1  0.897457  0.866287  0.344730  1
  Ti  Ti43  1  0.449180  0.603530  0.401195  1
  Ti  Ti44  1  0.461830  0.209041  0.378641  1
  Ti  Ti45  1  0.973663  0.315061  0.356242  1
  Ti  Ti46  1  0.473663  0.815061  0.356242  1
  Ti  Ti47  1  0.949180  0.103530  0.401195  1
  Ti  Ti48  1  0.961830  0.709041  0.378641  1
  Ti  Ti49  1  0.604041  0.498373  0.423448  1
  Ti  Ti50  1  0.616342  0.103530  0.401231  1
  Ti  Ti51  1  0.091838  0.392844  0.445605  1
  Ti  Ti52  1  0.591838  0.892844  0.445605  1
  Ti  Ti53  1  0.104041  0.998373  0.423448  1
  Ti  Ti54  1  0.116342  0.603530  0.401231  1
  Ti  Ti55  1  0.693051  0.550962  0.412438  1
  Ti  Ti56  1  0.668652  0.340351  0.456737  1
  Ti  Ti57  1  0.180887  0.445732  0.434422  1
  Ti  Ti58  1  0.680887  0.945732  0.434422  1
  Ti  Ti59  1  0.193051  0.050962  0.412438  1
  Ti  Ti60  1  0.168652  0.840351  0.456737  1
  Ti  Ti61  1  0.347830  0.945477  0.434595  1
  Ti  Ti62  1  0.360162  0.551094  0.412265  1
  Ti  Ti63  1  0.835859  0.840054  0.456803  1
  Ti  Ti64  1  0.335859  0.340054  0.456803  1
  Ti  Ti65  1  0.847830  0.445477  0.434595  1
  Ti  Ti66  1  0.860162  0.051094  0.412265  1
  Ti  Ti67  1  0.412513  0.787592  0.468001  1
  Ti  Ti68  1  0.424799  0.393035  0.445654  1
  Ti  Ti69  1  0.936947  0.498420  0.423490  1
  Ti  Ti70  1  0.436947  0.998420  0.423490  1
  Ti  Ti71  1  0.912513  0.287592  0.468001  1
  Ti  Ti72  1  0.924799  0.893035  0.445654  1
  Ti  Ti73  1  0.567259  0.682083  0.490415  1
  Ti  Ti74  1  0.579665  0.287403  0.467918  1
  Ti  Ti75  1  0.055009  0.576753  0.512600  1
  Ti  Ti76  1  0.555009  0.076753  0.512600  1
  Ti  Ti77  1  0.067259  0.182083  0.490415  1
  Ti  Ti78  1  0.079665  0.787403  0.467918  1
  Ti  Ti79  1  0.656411  0.734892  0.479184  1
  Ti  Ti80  1  0.631800  0.524089  0.523807  1
  Ti  Ti81  1  0.144199  0.629441  0.501348  1
  Ti  Ti82  1  0.644199  0.129441  0.501348  1
  Ti  Ti83  1  0.156411  0.234892  0.479184  1
  Ti  Ti84  1  0.131800  0.024089  0.523807  1
  Ti  Ti85  1  0.311137  0.129461  0.501467  1
  Ti  Ti86  1  0.323465  0.734777  0.479151  1
  Ti  Ti87  1  0.798923  0.023991  0.523661  1
  Ti  Ti88  1  0.298923  0.523991  0.523661  1
  Ti  Ti89  1  0.811137  0.629461  0.501467  1
  Ti  Ti90  1  0.823465  0.234777  0.479151  1
  Ti  Ti91  1  0.375689  0.971468  0.534937  1
  Ti  Ti92  1  0.388087  0.576799  0.512483  1
  Ti  Ti93  1  0.900359  0.682173  0.490213  1
  Ti  Ti94  1  0.400359  0.182173  0.490213  1
  Ti  Ti95  1  0.875689  0.471468  0.534937  1
  Ti  Ti96  1  0.888087  0.076799  0.512483  1
  Ti  Ti97  1  0.530551  0.865836  0.557194  1
  Ti  Ti98  1  0.542833  0.471260  0.534984  1
  Ti  Ti99  1  0.018433  0.760515  0.579347  1
  Ti  Ti100  1  0.518433  0.260515  0.579347  1
  Ti  Ti101  1  0.030551  0.365836  0.557194  1
  Ti  Ti102  1  0.042833  0.971260  0.534984  1
  Ti  Ti103  1  0.619470  0.918888  0.546008  1
  Ti  Ti104  1  0.595181  0.707708  0.590626  1
  Ti  Ti105  1  0.107541  0.813378  0.568308  1
  Ti  Ti106  1  0.607541  0.313378  0.568308  1
  Ti  Ti107  1  0.119470  0.418888  0.546008  1
  Ti  Ti108  1  0.095181  0.207708  0.590626  1
  Ti  Ti109  1  0.274449  0.313153  0.568384  1
  Ti  Ti110  1  0.286639  0.918526  0.546171  1
  Ti  Ti111  1  0.762220  0.207925  0.590473  1
  Ti  Ti112  1  0.262220  0.707925  0.590473  1
  Ti  Ti113  1  0.774449  0.813153  0.568384  1
  Ti  Ti114  1  0.786639  0.418526  0.546171  1
  Ti  Ti115  1  0.339019  0.155324  0.601512  1
  Ti  Ti116  1  0.351214  0.760428  0.579513  1
  Ti  Ti117  1  0.863546  0.866104  0.557263  1
  Ti  Ti118  1  0.363546  0.366104  0.557263  1
  Ti  Ti119  1  0.839019  0.655324  0.601512  1
  Ti  Ti120  1  0.851214  0.260428  0.579513  1
  Ti  Ti121  1  0.493556  0.049879  0.624146  1
  Ti  Ti122  1  0.506191  0.655362  0.601745  1
  Ti  Ti123  1  0.981956  0.944056  0.646934  1
  Ti  Ti124  1  0.481956  0.444056  0.646934  1
  Ti  Ti125  1  0.993556  0.549879  0.624146  1
  Ti  Ti126  1  0.006191  0.155362  0.601745  1
  Ti  Ti127  1  0.583067  0.102802  0.612559  1
  Ti  Ti128  1  0.557917  0.892361  0.658070  1
  Ti  Ti129  1  0.070510  0.997098  0.635534  1
  Ti  Ti130  1  0.570510  0.497098  0.635534  1
  Ti  Ti131  1  0.083067  0.602802  0.612559  1
  Ti  Ti132  1  0.057917  0.392361  0.658070  1
  Ti  Ti133  1  0.237620  0.496663  0.635012  1
  Ti  Ti134  1  0.249824  0.102864  0.612590  1
  Ti  Ti135  1  0.725713  0.391886  0.658329  1
  Ti  Ti136  1  0.225713  0.891886  0.658329  1
  Ti  Ti137  1  0.737620  0.996663  0.635012  1
  Ti  Ti138  1  0.749824  0.602864  0.612590  1
  Ti  Ti139  1  0.302643  0.338035  0.669302  1
  Ti  Ti140  1  0.314407  0.945023  0.646714  1
  Ti  Ti141  1  0.826969  0.049945  0.623342  1
  Ti  Ti142  1  0.326969  0.549945  0.623342  1
  Ti  Ti143  1  0.802643  0.838035  0.669302  1
  Ti  Ti144  1  0.814407  0.445023  0.646714  1
  Ti  Ti145  1  0.456876  0.233510  0.690630  1
  Ti  Ti146  1  0.468924  0.838750  0.668468  1
  Ti  Ti147  1  0.944511  0.128970  0.712330  1
  Ti  Ti148  1  0.444511  0.628970  0.712330  1
  Ti  Ti149  1  0.956876  0.733510  0.690630  1
  Ti  Ti150  1  0.968924  0.338750  0.668468  1
  Ti  Ti151  1  0.546681  0.284823  0.679468  1
  Ti  Ti152  1  0.520454  0.078764  0.721999  1
  Ti  Ti153  1  0.033153  0.181927  0.702070  1
  Ti  Ti154  1  0.533153  0.681927  0.702070  1
  Ti  Ti155  1  0.046681  0.784823  0.679468  1
  Ti  Ti156  1  0.020454  0.578764  0.721999  1
  Ti  Ti157  1  0.202166  0.680367  0.702052  1
  Ti  Ti158  1  0.212453  0.285731  0.679967  1
  Ti  Ti159  1  0.690627  0.575443  0.722285  1
  Ti  Ti160  1  0.190627  0.075443  0.722285  1
  Ti  Ti161  1  0.702166  0.180367  0.702052  1
  Ti  Ti162  1  0.712453  0.785731  0.679967  1
  Ti  Ti163  1  0.265160  0.525637  0.732295  1
  Ti  Ti164  1  0.275632  0.131276  0.711997  1
  Ti  Ti165  1  0.789981  0.232721  0.691564  1
  Ti  Ti166  1  0.289981  0.732721  0.691564  1
  Ti  Ti167  1  0.765160  0.025637  0.732295  1
  Ti  Ti168  1  0.775632  0.631276  0.711997  1
  Al  Al169  1  0.332713  0.522377  0.310885  1
  Al  Al170  1  0.342669  0.132256  0.289805  1
  Al  Al171  1  0.855798  0.237856  0.271171  1
  Al  Al172  1  0.355798  0.737856  0.271171  1
  Al  Al173  1  0.832713  0.022377  0.310885  1
  Al  Al174  1  0.842669  0.632256  0.289805  1
  Al  Al175  1  0.325948  0.722064  0.323948  1
  Al  Al176  1  0.338164  0.328462  0.300612  1
  Al  Al177  1  0.849379  0.435706  0.280608  1
  Al  Al178  1  0.349379  0.935706  0.280608  1
  Al  Al179  1  0.825948  0.222064  0.323948  1
  Al  Al180  1  0.838164  0.828462  0.300612  1
  Al  Al181  1  0.737028  0.168983  0.335051  1
  Al  Al182  1  0.749742  0.775013  0.312831  1
  Al  Al183  1  0.259064  0.882501  0.289330  1
  Al  Al184  1  0.759064  0.382501  0.289330  1
  Al  Al185  1  0.237028  0.668983  0.335051  1
  Al  Al186  1  0.249742  0.275013  0.312831  1
  Al  Al187  1  0.670454  0.328504  0.300480  1
  Al  Al188  1  0.685648  0.930336  0.279771  1
  Al  Al189  1  0.157877  0.223410  0.324386  1
  Al  Al190  1  0.657877  0.723410  0.324386  1
  Al  Al191  1  0.170454  0.828504  0.300480  1
  Al  Al192  1  0.185648  0.430336  0.279771  1
  Al  Al193  1  0.575614  0.474037  0.323953  1
  Al  Al194  1  0.587403  0.078955  0.300035  1
  Al  Al195  1  0.099367  0.184898  0.280016  1
  Al  Al196  1  0.599367  0.684898  0.280016  1
  Al  Al197  1  0.075614  0.974037  0.323953  1
  Al  Al198  1  0.087403  0.578955  0.300035  1
  Al  Al199  1  0.582501  0.275005  0.311482  1
  Al  Al200  1  0.593780  0.882643  0.289779  1
  Al  Al201  1  0.105079  0.991440  0.270587  1
  Al  Al202  1  0.605079  0.491440  0.270587  1
  Al  Al203  1  0.082501  0.775005  0.311482  1
  Al  Al204  1  0.093780  0.382643  0.289779  1
  Al  Al205  1  0.517603  0.435243  0.280593  1
  Al  Al206  1  0.494011  0.221846  0.323398  1
  Al  Al207  1  0.003559  0.328476  0.300698  1
  Al  Al208  1  0.503559  0.828476  0.300698  1
  Al  Al209  1  0.017603  0.935243  0.280593  1
  Al  Al210  1  0.994011  0.721846  0.323398  1
  Al  Al211  1  0.429441  0.378178  0.290176  1
  Al  Al212  1  0.438508  0.987836  0.270036  1
  Al  Al213  1  0.914975  0.276191  0.312174  1
  Al  Al214  1  0.414975  0.776191  0.312174  1
  Al  Al215  1  0.929441  0.878178  0.290176  1
  Al  Al216  1  0.938508  0.487836  0.270036  1
  Al  Al217  1  0.294886  0.709841  0.378923  1
  Al  Al218  1  0.307640  0.314823  0.356714  1
  Al  Al219  1  0.819246  0.419806  0.334431  1
  Al  Al220  1  0.319246  0.919806  0.334431  1
  Al  Al221  1  0.794886  0.209841  0.378923  1
  Al  Al222  1  0.807640  0.814823  0.356714  1
  Al  Al223  1  0.288613  0.906240  0.389863  1
  Al  Al224  1  0.301777  0.511190  0.367588  1
  Al  Al225  1  0.812969  0.616944  0.345592  1
  Al  Al226  1  0.312969  0.116944  0.345592  1
  Al  Al227  1  0.788613  0.406240  0.389863  1
  Al  Al228  1  0.801777  0.011190  0.367588  1
  Al  Al229  1  0.699381  0.353621  0.400817  1
  Al  Al230  1  0.711668  0.959075  0.378505  1
  Al  Al231  1  0.223957  0.064342  0.356800  1
  Al  Al232  1  0.723957  0.564342  0.356800  1
  Al  Al233  1  0.199381  0.853621  0.400817  1
  Al  Al234  1  0.211668  0.459075  0.378505  1
  Al  Al235  1  0.634660  0.511660  0.367709  1
  Al  Al236  1  0.646522  0.116927  0.345570  1
  Al  Al237  1  0.122211  0.406693  0.389730  1
  Al  Al238  1  0.622211  0.906693  0.389730  1
  Al  Al239  1  0.134660  0.011660  0.367709  1
  Al  Al240  1  0.146522  0.616927  0.345570  1
  Al  Al241  1  0.538519  0.656637  0.390025  1
  Al  Al242  1  0.551566  0.261605  0.367661  1
  Al  Al243  1  0.063584  0.366865  0.345403  1
  Al  Al244  1  0.563584  0.866865  0.345403  1
  Al  Al245  1  0.038519  0.156637  0.390025  1
  Al  Al246  1  0.051566  0.761605  0.367661  1
  Al  Al247  1  0.545176  0.458665  0.378940  1
  Al  Al248  1  0.557669  0.064127  0.356503  1
  Al  Al249  1  0.069145  0.170034  0.334557  1
  Al  Al250  1  0.569145  0.670034  0.334557  1
  Al  Al251  1  0.045176  0.958665  0.378940  1
  Al  Al252  1  0.057669  0.564127  0.356503  1
  Al  Al253  1  0.479913  0.616918  0.345625  1
  Al  Al254  1  0.455512  0.406144  0.389820  1
  Al  Al255  1  0.967977  0.511656  0.367778  1
  Al  Al256  1  0.467977  0.011656  0.367778  1
  Al  Al257  1  0.979913  0.116918  0.345625  1
  Al  Al258  1  0.955512  0.906144  0.389820  1
  Al  Al259  1  0.390660  0.563992  0.356499  1
  Al  Al260  1  0.402056  0.169902  0.334976  1
  Al  Al261  1  0.878215  0.459201  0.378940  1
  Al  Al262  1  0.378215  0.959201  0.378940  1
  Al  Al263  1  0.890660  0.063992  0.356499  1
  Al  Al264  1  0.902056  0.669902  0.334976  1
  Al  Al265  1  0.258286  0.892760  0.445705  1
  Al  Al266  1  0.270712  0.497920  0.423333  1
  Al  Al267  1  0.782592  0.603749  0.401246  1
  Al  Al268  1  0.282592  0.103749  0.401246  1
  Al  Al269  1  0.758286  0.392760  0.445705  1
  Al  Al270  1  0.770712  0.997920  0.423333  1
  Al  Al271  1  0.252135  0.090108  0.456952  1
  Al  Al272  1  0.264428  0.695700  0.434550  1
  Al  Al273  1  0.776703  0.801290  0.412289  1
  Al  Al274  1  0.276703  0.301290  0.412289  1
  Al  Al275  1  0.752135  0.590108  0.456952  1
  Al  Al276  1  0.764428  0.195700  0.434550  1
  Al  Al277  1  0.662729  0.537323  0.468114  1
  Al  Al278  1  0.675154  0.142663  0.445723  1
  Al  Al279  1  0.187413  0.248137  0.423525  1
  Al  Al280  1  0.687413  0.748137  0.423525  1
  Al  Al281  1  0.162729  0.037323  0.468114  1
  Al  Al282  1  0.175154  0.642663  0.445723  1
  Al  Al283  1  0.597469  0.695752  0.434790  1
  Al  Al284  1  0.610094  0.301159  0.412119  1
  Al  Al285  1  0.085385  0.590319  0.456855  1
  Al  Al286  1  0.585385  0.090319  0.456855  1
  Al  Al287  1  0.097469  0.195752  0.434790  1
  Al  Al288  1  0.110094  0.801159  0.412119  1
  Al  Al289  1  0.502172  0.840248  0.456909  1
  Al  Al290  1  0.514475  0.445482  0.434545  1
  Al  Al291  1  0.026629  0.551030  0.412234  1
  Al  Al292  1  0.526629  0.051030  0.412234  1
  Al  Al293  1  1.002172  0.340248  0.456909  1
  Al  Al294  1  0.014475  0.945482  0.434545  1
  Al  Al295  1  0.508249  0.642859  0.445771  1
  Al  Al296  1  0.520573  0.248448  0.423336  1
  Al  Al297  1  0.032537  0.353921  0.401110  1
  Al  Al298  1  0.532537  0.853921  0.401110  1
  Al  Al299  1  0.008249  0.142859  0.445771  1
  Al  Al300  1  0.020573  0.748448  0.423336  1
  Al  Al301  1  0.443492  0.800897  0.412255  1
  Al  Al302  1  0.418946  0.590045  0.456861  1
  Al  Al303  1  0.931353  0.695489  0.434497  1
  Al  Al304  1  0.431353  0.195489  0.434497  1
  Al  Al305  1  0.943492  0.300897  0.412255  1
  Al  Al306  1  0.918946  0.090045  0.456861  1
  Al  Al307  1  0.353782  0.748526  0.423434  1
  Al  Al308  1  0.366414  0.353753  0.400909  1
  Al  Al309  1  0.841432  0.643032  0.445809  1
  Al  Al310  1  0.341432  0.143032  0.445809  1
  Al  Al311  1  0.853782  0.248526  0.423434  1
  Al  Al312  1  0.866414  0.853753  0.400909  1
  Al  Al313  1  0.221509  0.076650  0.512642  1
  Al  Al314  1  0.233787  0.682218  0.490230  1
  Al  Al315  1  0.746041  0.787723  0.468009  1
  Al  Al316  1  0.246041  0.287723  0.468009  1
  Al  Al317  1  0.721509  0.576650  0.512642  1
  Al  Al318  1  0.733787  0.182218  0.490230  1
  Al  Al319  1  0.215370  0.274257  0.523741  1
  Al  Al320  1  0.227631  0.879450  0.501461  1
  Al  Al321  1  0.739969  0.984666  0.479070  1
  Al  Al322  1  0.239969  0.484666  0.479070  1
  Al  Al323  1  0.715370  0.774257  0.523741  1
  Al  Al324  1  0.727631  0.379450  0.501461  1
  Al  Al325  1  0.626059  0.721208  0.534917  1
  Al  Al326  1  0.638292  0.326637  0.512530  1
  Al  Al327  1  0.150472  0.432037  0.490230  1
  Al  Al328  1  0.650472  0.932037  0.490230  1
  Al  Al329  1  0.126059  0.221208  0.534917  1
  Al  Al330  1  0.138292  0.826637  0.512530  1
  Al  Al331  1  0.560897  0.879629  0.501410  1
  Al  Al332  1  0.573177  0.484919  0.479185  1
  Al  Al333  1  0.048778  0.774252  0.523665  1
  Al  Al334  1  0.548778  0.274252  0.523665  1
  Al  Al335  1  0.060897  0.379629  0.501410  1
  Al  Al336  1  0.073177  0.984919  0.479185  1
  Al  Al337  1  0.465383  0.024014  0.523725  1
  Al  Al338  1  0.477688  0.629406  0.501477  1
  Al  Al339  1  0.989981  0.734896  0.479106  1
  Al  Al340  1  0.489981  0.234896  0.479106  1
  Al  Al341  1  0.965383  0.524014  0.523725  1
  Al  Al342  1  0.977688  0.129406  0.501477  1
  Al  Al343  1  0.471458  0.826798  0.512627  1
  Al  Al344  1  0.483897  0.432054  0.490283  1
  Al  Al345  1  0.996100  0.537453  0.467993  1
  Al  Al346  1  0.496100  0.037453  0.467993  1
  Al  Al347  1  0.971458  0.326798  0.512627  1
  Al  Al348  1  0.983897  0.932054  0.490283  1
  Al  Al349  1  0.406595  0.984657  0.479195  1
  Al  Al350  1  0.382125  0.773926  0.523771  1
  Al  Al351  1  0.894447  0.879275  0.501439  1
  Al  Al352  1  0.394447  0.379275  0.501439  1
  Al  Al353  1  0.906595  0.484657  0.479195  1
  Al  Al354  1  0.882125  0.273926  0.523771  1
  Al  Al355  1  0.317008  0.932245  0.490369  1
  Al  Al356  1  0.329286  0.537668  0.467952  1
  Al  Al357  1  0.804905  0.826867  0.512594  1
  Al  Al358  1  0.304905  0.326867  0.512594  1
  Al  Al359  1  0.817008  0.432245  0.490369  1
  Al  Al360  1  0.829286  0.037668  0.467952  1
  Al  Al361  1  0.184578  0.261030  0.579451  1
  Al  Al362  1  0.197021  0.866126  0.557220  1
  Al  Al363  1  0.709290  0.971168  0.534799  1
  Al  Al364  1  0.209290  0.471168  0.534799  1
  Al  Al365  1  0.684578  0.761030  0.579451  1
  Al  Al366  1  0.697021  0.366126  0.557220  1
  Al  Al367  1  0.178624  0.457615  0.590525  1
  Al  Al368  1  0.190814  0.063068  0.568344  1
  Al  Al369  1  0.703186  0.168777  0.545908  1
  Al  Al370  1  0.203186  0.668777  0.545908  1
  Al  Al371  1  0.678624  0.957615  0.590525  1
  Al  Al372  1  0.690814  0.563068  0.568344  1
  Al  Al373  1  0.588946  0.905146  0.601905  1
  Al  Al374  1  0.601519  0.510221  0.579643  1
  Al  Al375  1  0.113938  0.615874  0.557023  1
  Al  Al376  1  0.613938  0.115874  0.557023  1
  Al  Al377  1  0.088946  0.405146  0.601905  1
  Al  Al378  1  0.101519  0.010221  0.579643  1
  Al  Al379  1  0.524019  0.063449  0.568313  1
  Al  Al380  1  0.536374  0.668816  0.546063  1
  Al  Al381  1  0.012048  0.957946  0.590829  1
  Al  Al382  1  0.512048  0.457946  0.590829  1
  Al  Al383  1  0.024019  0.563449  0.568313  1
  Al  Al384  1  0.036374  0.168816  0.546063  1
  Al  Al385  1  0.428746  0.207903  0.590583  1
  Al  Al386  1  0.440827  0.813355  0.568368  1
  Al  Al387  1  0.953181  0.918721  0.546007  1
  Al  Al388  1  0.453181  0.418721  0.546007  1
  Al  Al389  1  0.928746  0.707903  0.590583  1
  Al  Al390  1  0.940827  0.313355  0.568368  1
  Al  Al391  1  0.434807  0.010465  0.579466  1
  Al  Al392  1  0.447082  0.615980  0.557184  1
  Al  Al393  1  0.959264  0.721495  0.534835  1
  Al  Al394  1  0.459264  0.221495  0.534835  1
  Al  Al395  1  0.934807  0.510465  0.579466  1
  Al  Al396  1  0.947082  0.115980  0.557184  1
  Al  Al397  1  0.369979  0.168629  0.545937  1
  Al  Al398  1  0.345281  0.957610  0.590723  1
  Al  Al399  1  0.857845  0.063157  0.568059  1
  Al  Al400  1  0.357845  0.563157  0.568059  1
  Al  Al401  1  0.869979  0.668629  0.545937  1
  Al  Al402  1  0.845281  0.457610  0.590723  1
  Al  Al403  1  0.280165  0.116245  0.557044  1
  Al  Al404  1  0.292568  0.721541  0.534808  1
  Al  Al405  1  0.767831  0.010759  0.579272  1
  Al  Al406  1  0.267831  0.510759  0.579272  1
  Al  Al407  1  0.780165  0.616245  0.557044  1
  Al  Al408  1  0.792568  0.221541  0.534808  1
  Al  Al409  1  0.147694  0.444011  0.646105  1
  Al  Al410  1  0.160276  0.049212  0.624184  1
  Al  Al411  1  0.672743  0.155273  0.601675  1
  Al  Al412  1  0.172743  0.655273  0.601675  1
  Al  Al413  1  0.647694  0.944011  0.646105  1
  Al  Al414  1  0.660276  0.549212  0.624184  1
  Al  Al415  1  0.142416  0.641877  0.657269  1
  Al  Al416  1  0.153583  0.247781  0.635175  1
  Al  Al417  1  0.666694  0.352734  0.613128  1
  Al  Al418  1  0.166694  0.852734  0.613128  1
  Al  Al419  1  0.642416  0.141877  0.657269  1
  Al  Al420  1  0.653583  0.747781  0.635175  1
  Al  Al421  1  0.553334  0.088793  0.667825  1
  Al  Al422  1  0.564899  0.694535  0.646439  1
  Al  Al423  1  0.077084  0.799810  0.623936  1
  Al  Al424  1  0.577084  0.299810  0.623936  1
  Al  Al425  1  0.053334  0.588793  0.667825  1
  Al  Al426  1  0.064899  0.194535  0.646439  1
  Al  Al427  1  0.487358  0.247406  0.635023  1
  Al  Al428  1  0.499816  0.852729  0.612994  1
  Al  Al429  1  0.975188  0.142078  0.657135  1
  Al  Al430  1  0.475188  0.642078  0.657135  1
  Al  Al431  1  0.987358  0.747406  0.635023  1
  Al  Al432  1  0.999816  0.352729  0.612994  1
  Al  Al433  1  0.391820  0.392073  0.657391  1
  Al  Al434  1  0.403839  0.997070  0.635057  1
  Al  Al435  1  0.916869  0.101962  0.612857  1
  Al  Al436  1  0.416869  0.601962  0.612857  1
  Al  Al437  1  0.891820  0.892073  0.657391  1
  Al  Al438  1  0.903839  0.497070  0.635057  1
  Al  Al439  1  0.397655  0.194696  0.646253  1
  Al  Al440  1  0.409969  0.799923  0.624008  1
  Al  Al441  1  0.922979  0.905067  0.601834  1
  Al  Al442  1  0.422979  0.405067  0.601834  1
  Al  Al443  1  0.897655  0.694696  0.646253  1
  Al  Al444  1  0.909969  0.299923  0.624008  1
  Al  Al445  1  0.333129  0.352140  0.613081  1
  Al  Al446  1  0.308789  0.142106  0.657106  1
  Al  Al447  1  0.820432  0.247283  0.635312  1
  Al  Al448  1  0.320432  0.747283  0.635312  1
  Al  Al449  1  0.833129  0.852140  0.613081  1
  Al  Al450  1  0.808789  0.642106  0.657106  1
  Al  Al451  1  0.243678  0.299804  0.624293  1
  Al  Al452  1  0.255846  0.905234  0.602113  1
  Al  Al453  1  0.731774  0.194632  0.646247  1
  Al  Al454  1  0.231774  0.694632  0.646247  1
  Al  Al455  1  0.743678  0.799804  0.624293  1
  Al  Al456  1  0.755846  0.405234  0.602113  1
  Al  Al457  1  0.112699  0.626076  0.712904  1
  Al  Al458  1  0.122547  0.235860  0.691817  1
  Al  Al459  1  0.636257  0.338059  0.668294  1
  Al  Al460  1  0.136257  0.838059  0.668294  1
  Al  Al461  1  0.612699  0.126076  0.712904  1
  Al  Al462  1  0.622547  0.735860  0.691817  1
  Al  Al463  1  0.106264  0.820720  0.721845  1
  Al  Al464  1  0.117159  0.429797  0.702219  1
  Al  Al465  1  0.628956  0.535415  0.680113  1
  Al  Al466  1  0.128956  0.035415  0.680113  1
  Al  Al467  1  0.606264  0.320720  0.721845  1
  Al  Al468  1  0.617159  0.929797  0.702219  1
  Al  Al469  1  0.516744  0.269910  0.732761  1
  Al  Al470  1  0.525511  0.880515  0.712535  1
  Al  Al471  1  0.040675  0.982595  0.691516  1
  Al  Al472  1  0.540675  0.482595  0.691516  1
  Al  Al473  1  0.016744  0.769910  0.732761  1
  Al  Al474  1  0.025511  0.380515  0.712535  1
  Al  Al475  1  0.451560  0.429951  0.702159  1
  Al  Al476  1  0.461379  0.036749  0.679308  1
  Al  Al477  1  0.937304  0.323420  0.721648  1
  Al  Al478  1  0.437304  0.823420  0.721648  1
  Al  Al479  1  0.951560  0.929951  0.702159  1
  Al  Al480  1  0.961379  0.536749  0.679308  1
  Al  Al481  1  0.355730  0.573344  0.722132  1
  Al  Al482  1  0.367923  0.179893  0.702753  1
  Al  Al483  1  0.879007  0.285826  0.679393  1
  Al  Al484  1  0.379007  0.785826  0.679393  1
  Al  Al485  1  0.855730  0.073344  0.722132  1
  Al  Al486  1  0.867923  0.679893  0.702753  1
  Al  Al487  1  0.361702  0.376001  0.713018  1
  Al  Al488  1  0.373124  0.984691  0.691000  1
  Al  Al489  1  0.885747  0.089102  0.668005  1
  Al  Al490  1  0.385747  0.589102  0.668005  1
  Al  Al491  1  0.861702  0.876001  0.713018  1
  Al  Al492  1  0.873124  0.484691  0.691000  1
  Al  Al493  1  0.297411  0.535578  0.678348  1
  Al  Al494  1  0.269772  0.327897  0.722994  1
  Al  Al495  1  0.786134  0.428575  0.702394  1
  Al  Al496  1  0.286134  0.928575  0.702394  1
  Al  Al497  1  0.797411  0.035578  0.678348  1
  Al  Al498  1  0.769772  0.827897  0.722994  1
  Al  Al499  1  0.205605  0.483586  0.689982  1
  Al  Al500  1  0.218360  0.089966  0.667409  1
  Al  Al501  1  0.695014  0.377620  0.712934  1
  Al  Al502  1  0.195014  0.877620  0.712934  1
  Al  Al503  1  0.705605  0.983586  0.689982  1
  Al  Al504  1  0.718360  0.589966  0.667409  1
