# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   37.21701701
_cell_length_b   12.44016480
_cell_length_c   49.37519654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.60183801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti216 Al432'
_cell_volume   21814.1685667
_cell_formula_units_Z   216
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  0.844911  0.756583  0.322780  1
  Ti  Ti2  1  0.511578  0.756583  0.322780  1
  Ti  Ti3  1  0.853374  0.340073  0.273846  1
  Ti  Ti4  1  0.178245  0.756583  0.322780  1
  Ti  Ti5  1  0.520041  0.340073  0.273846  1
  Ti  Ti6  1  0.848630  0.053621  0.296549  1
  Ti  Ti7  1  0.186707  0.340073  0.273846  1
  Ti  Ti8  1  0.515296  0.053621  0.296549  1
  Ti  Ti9  1  0.181963  0.053621  0.296549  1
  Ti  Ti10  1  0.901250  0.856653  0.313951  1
  Ti  Ti11  1  0.567916  0.856653  0.313951  1
  Ti  Ti12  1  0.897328  0.561588  0.339649  1
  Ti  Ti13  1  0.234583  0.856653  0.313951  1
  Ti  Ti14  1  0.563995  0.561588  0.339649  1
  Ti  Ti15  1  0.904300  0.150868  0.288827  1
  Ti  Ti16  1  0.230662  0.561588  0.339649  1
  Ti  Ti17  1  0.570966  0.150868  0.288827  1
  Ti  Ti18  1  0.237633  0.150868  0.288827  1
  Ti  Ti19  1  0.681963  0.053621  0.296549  1
  Ti  Ti20  1  0.348630  0.053621  0.296549  1
  Ti  Ti21  1  0.678245  0.756583  0.322780  1
  Ti  Ti22  1  0.015296  0.053621  0.296549  1
  Ti  Ti23  1  0.344911  0.756583  0.322780  1
  Ti  Ti24  1  0.686707  0.340073  0.273846  1
  Ti  Ti25  1  0.011578  0.756583  0.322780  1
  Ti  Ti26  1  0.353374  0.340073  0.273846  1
  Ti  Ti27  1  0.020041  0.340073  0.273846  1
  Ti  Ti28  1  0.734583  0.856653  0.313951  1
  Ti  Ti29  1  0.401250  0.856653  0.313951  1
  Ti  Ti30  1  0.730662  0.561588  0.339649  1
  Ti  Ti31  1  0.067916  0.856653  0.313951  1
  Ti  Ti32  1  0.397328  0.561588  0.339649  1
  Ti  Ti33  1  0.737633  0.150868  0.288827  1
  Ti  Ti34  1  0.063995  0.561588  0.339649  1
  Ti  Ti35  1  0.404300  0.150868  0.288827  1
  Ti  Ti36  1  0.070966  0.150868  0.288827  1
  Ti  Ti37  1  0.833259  0.872162  0.399861  1
  Ti  Ti38  1  0.499926  0.872162  0.399861  1
  Ti  Ti39  1  0.840969  0.462733  0.347799  1
  Ti  Ti40  1  0.166593  0.872162  0.399861  1
  Ti  Ti41  1  0.507635  0.462733  0.347799  1
  Ti  Ti42  1  0.836895  0.166424  0.374756  1
  Ti  Ti43  1  0.174302  0.462733  0.347799  1
  Ti  Ti44  1  0.503562  0.166424  0.374756  1
  Ti  Ti45  1  0.170228  0.166424  0.374756  1
  Ti  Ti46  1  0.889665  0.970423  0.391468  1
  Ti  Ti47  1  0.556332  0.970423  0.391468  1
  Ti  Ti48  1  0.885991  0.675898  0.416926  1
  Ti  Ti49  1  0.222998  0.970423  0.391468  1
  Ti  Ti50  1  0.552657  0.675898  0.416926  1
  Ti  Ti51  1  0.893741  0.265808  0.365695  1
  Ti  Ti52  1  0.219324  0.675898  0.416926  1
  Ti  Ti53  1  0.560408  0.265808  0.365695  1
  Ti  Ti54  1  0.227074  0.265808  0.365695  1
  Ti  Ti55  1  0.670228  0.166424  0.374756  1
  Ti  Ti56  1  0.336895  0.166424  0.374756  1
  Ti  Ti57  1  0.666593  0.872162  0.399861  1
  Ti  Ti58  1  0.003562  0.166424  0.374756  1
  Ti  Ti59  1  0.333259  0.872162  0.399861  1
  Ti  Ti60  1  0.674302  0.462733  0.347799  1
  Ti  Ti61  1  0.999926  0.872162  0.399861  1
  Ti  Ti62  1  0.340969  0.462733  0.347799  1
  Ti  Ti63  1  0.007635  0.462733  0.347799  1
  Ti  Ti64  1  0.722998  0.970423  0.391468  1
  Ti  Ti65  1  0.389665  0.970423  0.391468  1
  Ti  Ti66  1  0.719324  0.675898  0.416926  1
  Ti  Ti67  1  0.056332  0.970423  0.391468  1
  Ti  Ti68  1  0.385991  0.675898  0.416926  1
  Ti  Ti69  1  0.727074  0.265808  0.365695  1
  Ti  Ti70  1  0.052657  0.675898  0.416926  1
  Ti  Ti71  1  0.393741  0.265808  0.365695  1
  Ti  Ti72  1  0.060408  0.265808  0.365695  1
  Ti  Ti73  1  0.821691  0.987199  0.477258  1
  Ti  Ti74  1  0.488357  0.987199  0.477258  1
  Ti  Ti75  1  0.829374  0.577397  0.425605  1
  Ti  Ti76  1  0.155024  0.987199  0.477258  1
  Ti  Ti77  1  0.496040  0.577397  0.425605  1
  Ti  Ti78  1  0.825588  0.282457  0.451322  1
  Ti  Ti79  1  0.162707  0.577397  0.425605  1
  Ti  Ti80  1  0.492254  0.282457  0.451322  1
  Ti  Ti81  1  0.158921  0.282457  0.451322  1
  Ti  Ti82  1  0.878278  0.085820  0.468585  1
  Ti  Ti83  1  0.544945  0.085820  0.468585  1
  Ti  Ti84  1  0.874403  0.790904  0.494301  1
  Ti  Ti85  1  0.211612  0.085820  0.468585  1
  Ti  Ti86  1  0.541070  0.790904  0.494301  1
  Ti  Ti87  1  0.882032  0.381094  0.442740  1
  Ti  Ti88  1  0.207737  0.790904  0.494301  1
  Ti  Ti89  1  0.548699  0.381094  0.442740  1
  Ti  Ti90  1  0.215366  0.381094  0.442740  1
  Ti  Ti91  1  0.658921  0.282457  0.451322  1
  Ti  Ti92  1  0.325588  0.282457  0.451322  1
  Ti  Ti93  1  0.655024  0.987199  0.477258  1
  Ti  Ti94  1  0.992254  0.282457  0.451322  1
  Ti  Ti95  1  0.321691  0.987199  0.477258  1
  Ti  Ti96  1  0.662707  0.577397  0.425605  1
  Ti  Ti97  1  0.988357  0.987199  0.477258  1
  Ti  Ti98  1  0.329374  0.577397  0.425605  1
  Ti  Ti99  1  0.996040  0.577397  0.425605  1
  Ti  Ti100  1  0.711612  0.085820  0.468585  1
  Ti  Ti101  1  0.378278  0.085820  0.468585  1
  Ti  Ti102  1  0.707737  0.790904  0.494301  1
  Ti  Ti103  1  0.044945  0.085820  0.468585  1
  Ti  Ti104  1  0.374403  0.790904  0.494301  1
  Ti  Ti105  1  0.715366  0.381094  0.442740  1
  Ti  Ti106  1  0.041070  0.790904  0.494301  1
  Ti  Ti107  1  0.382032  0.381094  0.442740  1
  Ti  Ti108  1  0.048699  0.381094  0.442740  1
  Ti  Ti109  1  0.810277  0.102293  0.554355  1
  Ti  Ti110  1  0.476944  0.102293  0.554355  1
  Ti  Ti111  1  0.817906  0.692482  0.502794  1
  Ti  Ti112  1  0.143610  0.102293  0.554355  1
  Ti  Ti113  1  0.484573  0.692482  0.502794  1
  Ti  Ti114  1  0.814031  0.397566  0.528510  1
  Ti  Ti115  1  0.151239  0.692482  0.502794  1
  Ti  Ti116  1  0.480698  0.397566  0.528510  1
  Ti  Ti117  1  0.147364  0.397566  0.528510  1
  Ti  Ti118  1  0.866722  0.200929  0.545773  1
  Ti  Ti119  1  0.533388  0.200929  0.545773  1
  Ti  Ti120  1  0.862936  0.905989  0.571490  1
  Ti  Ti121  1  0.200055  0.200929  0.545773  1
  Ti  Ti122  1  0.529602  0.905989  0.571490  1
  Ti  Ti123  1  0.870619  0.496187  0.519836  1
  Ti  Ti124  1  0.196269  0.905989  0.571490  1
  Ti  Ti125  1  0.537285  0.496187  0.519836  1
  Ti  Ti126  1  0.203952  0.496187  0.519836  1
  Ti  Ti127  1  0.647364  0.397566  0.528510  1
  Ti  Ti128  1  0.314031  0.397566  0.528510  1
  Ti  Ti129  1  0.643610  0.102293  0.554355  1
  Ti  Ti130  1  0.980698  0.397566  0.528510  1
  Ti  Ti131  1  0.310277  0.102293  0.554355  1
  Ti  Ti132  1  0.651239  0.692482  0.502794  1
  Ti  Ti133  1  0.976944  0.102293  0.554355  1
  Ti  Ti134  1  0.317906  0.692482  0.502794  1
  Ti  Ti135  1  0.984573  0.692482  0.502794  1
  Ti  Ti136  1  0.700055  0.200929  0.545773  1
  Ti  Ti137  1  0.366722  0.200929  0.545773  1
  Ti  Ti138  1  0.696269  0.905989  0.571490  1
  Ti  Ti139  1  0.033388  0.200929  0.545773  1
  Ti  Ti140  1  0.362936  0.905989  0.571490  1
  Ti  Ti141  1  0.703952  0.496187  0.519836  1
  Ti  Ti142  1  0.029602  0.905989  0.571490  1
  Ti  Ti143  1  0.370619  0.496187  0.519836  1
  Ti  Ti144  1  0.037285  0.496187  0.519836  1
  Ti  Ti145  1  0.798568  0.217579  0.631400  1
  Ti  Ti146  1  0.465235  0.217579  0.631400  1
  Ti  Ti147  1  0.806319  0.807489  0.580169  1
  Ti  Ti148  1  0.131902  0.217579  0.631400  1
  Ti  Ti149  1  0.472985  0.807489  0.580169  1
  Ti  Ti150  1  0.802645  0.512963  0.605627  1
  Ti  Ti151  1  0.139652  0.807489  0.580169  1
  Ti  Ti152  1  0.469311  0.512963  0.605627  1
  Ti  Ti153  1  0.135978  0.512963  0.605627  1
  Ti  Ti154  1  0.855414  0.316963  0.622339  1
  Ti  Ti155  1  0.522081  0.316963  0.622339  1
  Ti  Ti156  1  0.851341  0.020653  0.649296  1
  Ti  Ti157  1  0.188748  0.316963  0.622339  1
  Ti  Ti158  1  0.518007  0.020653  0.649296  1
  Ti  Ti159  1  0.859050  0.611224  0.597234  1
  Ti  Ti160  1  0.184674  0.020653  0.649296  1
  Ti  Ti161  1  0.525717  0.611224  0.597234  1
  Ti  Ti162  1  0.192383  0.611224  0.597234  1
  Ti  Ti163  1  0.635978  0.512963  0.605627  1
  Ti  Ti164  1  0.302645  0.512963  0.605627  1
  Ti  Ti165  1  0.631902  0.217579  0.631400  1
  Ti  Ti166  1  0.969311  0.512963  0.605627  1
  Ti  Ti167  1  0.298568  0.217579  0.631400  1
  Ti  Ti168  1  0.639652  0.807489  0.580169  1
  Ti  Ti169  1  0.965235  0.217579  0.631400  1
  Ti  Ti170  1  0.306319  0.807489  0.580169  1
  Ti  Ti171  1  0.972985  0.807489  0.580169  1
  Ti  Ti172  1  0.688748  0.316963  0.622339  1
  Ti  Ti173  1  0.355414  0.316963  0.622339  1
  Ti  Ti174  1  0.684674  0.020653  0.649296  1
  Ti  Ti175  1  0.022081  0.316963  0.622339  1
  Ti  Ti176  1  0.351341  0.020653  0.649296  1
  Ti  Ti177  1  0.692383  0.611224  0.597234  1
  Ti  Ti178  1  0.018007  0.020653  0.649296  1
  Ti  Ti179  1  0.359050  0.611224  0.597234  1
  Ti  Ti180  1  0.025717  0.611224  0.597234  1
  Ti  Ti181  1  0.788010  0.332518  0.708268  1
  Ti  Ti182  1  0.454676  0.332518  0.708268  1
  Ti  Ti183  1  0.794981  0.921799  0.657446  1
  Ti  Ti184  1  0.121343  0.332518  0.708268  1
  Ti  Ti185  1  0.461648  0.921799  0.657446  1
  Ti  Ti186  1  0.791060  0.626734  0.683144  1
  Ti  Ti187  1  0.128314  0.921799  0.657446  1
  Ti  Ti188  1  0.457726  0.626734  0.683144  1
  Ti  Ti189  1  0.124393  0.626734  0.683144  1
  Ti  Ti190  1  0.843680  0.429766  0.700546  1
  Ti  Ti191  1  0.510347  0.429766  0.700546  1
  Ti  Ti192  1  0.838936  0.143314  0.723249  1
  Ti  Ti193  1  0.177013  0.429766  0.700546  1
  Ti  Ti194  1  0.505602  0.143314  0.723249  1
  Ti  Ti195  1  0.847398  0.726803  0.674315  1
  Ti  Ti196  1  0.172269  0.143314  0.723249  1
  Ti  Ti197  1  0.514065  0.726803  0.674315  1
  Ti  Ti198  1  0.180732  0.726803  0.674315  1
  Ti  Ti199  1  0.624393  0.626734  0.683144  1
  Ti  Ti200  1  0.291060  0.626734  0.683144  1
  Ti  Ti201  1  0.621343  0.332518  0.708268  1
  Ti  Ti202  1  0.957726  0.626734  0.683144  1
  Ti  Ti203  1  0.288010  0.332518  0.708268  1
  Ti  Ti204  1  0.628314  0.921799  0.657446  1
  Ti  Ti205  1  0.954676  0.332518  0.708268  1
  Ti  Ti206  1  0.294981  0.921799  0.657446  1
  Ti  Ti207  1  0.961648  0.921799  0.657446  1
  Ti  Ti208  1  0.677013  0.429766  0.700546  1
  Ti  Ti209  1  0.343680  0.429766  0.700546  1
  Ti  Ti210  1  0.672269  0.143314  0.723249  1
  Ti  Ti211  1  0.010347  0.429766  0.700546  1
  Ti  Ti212  1  0.338936  0.143314  0.723249  1
  Ti  Ti213  1  0.680732  0.726803  0.674315  1
  Ti  Ti214  1  0.005602  0.143314  0.723249  1
  Ti  Ti215  1  0.347398  0.726803  0.674315  1
  Ti  Ti216  1  0.014065  0.726803  0.674315  1
  Al  Al217  1  0.624737  0.954576  0.305086  1
  Al  Al218  1  0.291404  0.954576  0.305086  1
  Al  Al219  1  0.621061  0.659521  0.331481  1
  Al  Al220  1  0.958070  0.954576  0.305086  1
  Al  Al221  1  0.287727  0.659521  0.331481  1
  Al  Al222  1  0.628067  0.249833  0.281803  1
  Al  Al223  1  0.954394  0.659521  0.331481  1
  Al  Al224  1  0.294733  0.249833  0.281803  1
  Al  Al225  1  0.961400  0.249833  0.281803  1
  Al  Al226  1  0.621132  0.157005  0.331711  1
  Al  Al227  1  0.287798  0.157005  0.331711  1
  Al  Al228  1  0.628620  0.750944  0.282233  1
  Al  Al229  1  0.954465  0.157005  0.331711  1
  Al  Al230  1  0.295287  0.750944  0.282233  1
  Al  Al231  1  0.624696  0.456260  0.305412  1
  Al  Al232  1  0.961953  0.750944  0.282233  1
  Al  Al233  1  0.291363  0.456260  0.305412  1
  Al  Al234  1  0.958029  0.456260  0.305412  1
  Al  Al235  1  0.905128  0.652383  0.289452  1
  Al  Al236  1  0.571795  0.652383  0.289452  1
  Al  Al237  1  0.902390  0.355350  0.314785  1
  Al  Al238  1  0.238461  0.652383  0.289452  1
  Al  Al239  1  0.569057  0.355350  0.314785  1
  Al  Al240  1  0.897322  0.060322  0.340191  1
  Al  Al241  1  0.235724  0.355350  0.314785  1
  Al  Al242  1  0.563988  0.060322  0.340191  1
  Al  Al243  1  0.230655  0.060322  0.340191  1
  Al  Al244  1  0.852233  0.849329  0.273800  1
  Al  Al245  1  0.518899  0.849329  0.273800  1
  Al  Al246  1  0.848959  0.551715  0.296809  1
  Al  Al247  1  0.185566  0.849329  0.273800  1
  Al  Al248  1  0.515626  0.551715  0.296809  1
  Al  Al249  1  0.844000  0.255809  0.324055  1
  Al  Al250  1  0.182293  0.551715  0.296809  1
  Al  Al251  1  0.510667  0.255809  0.324055  1
  Al  Al252  1  0.177333  0.255809  0.324055  1
  Al  Al253  1  0.791404  0.954576  0.305086  1
  Al  Al254  1  0.458070  0.954576  0.305086  1
  Al  Al255  1  0.787727  0.659521  0.331481  1
  Al  Al256  1  0.124737  0.954576  0.305086  1
  Al  Al257  1  0.454394  0.659521  0.331481  1
  Al  Al258  1  0.794733  0.249833  0.281803  1
  Al  Al259  1  0.121061  0.659521  0.331481  1
  Al  Al260  1  0.461400  0.249833  0.281803  1
  Al  Al261  1  0.128067  0.249833  0.281803  1
  Al  Al262  1  0.795287  0.750944  0.282233  1
  Al  Al263  1  0.461953  0.750944  0.282233  1
  Al  Al264  1  0.791363  0.456260  0.305412  1
  Al  Al265  1  0.128620  0.750944  0.282233  1
  Al  Al266  1  0.458029  0.456260  0.305412  1
  Al  Al267  1  0.787798  0.157005  0.331711  1
  Al  Al268  1  0.124696  0.456260  0.305412  1
  Al  Al269  1  0.454465  0.157005  0.331711  1
  Al  Al270  1  0.121132  0.157005  0.331711  1
  Al  Al271  1  0.730655  0.060322  0.340191  1
  Al  Al272  1  0.397322  0.060322  0.340191  1
  Al  Al273  1  0.738461  0.652383  0.289452  1
  Al  Al274  1  0.063988  0.060322  0.340191  1
  Al  Al275  1  0.405128  0.652383  0.289452  1
  Al  Al276  1  0.735724  0.355350  0.314785  1
  Al  Al277  1  0.071795  0.652383  0.289452  1
  Al  Al278  1  0.402390  0.355350  0.314785  1
  Al  Al279  1  0.069057  0.355350  0.314785  1
  Al  Al280  1  0.685566  0.849329  0.273800  1
  Al  Al281  1  0.352233  0.849329  0.273800  1
  Al  Al282  1  0.682293  0.551715  0.296809  1
  Al  Al283  1  0.018899  0.849329  0.273800  1
  Al  Al284  1  0.348959  0.551715  0.296809  1
  Al  Al285  1  0.677333  0.255809  0.324055  1
  Al  Al286  1  0.015626  0.551715  0.296809  1
  Al  Al287  1  0.344000  0.255809  0.324055  1
  Al  Al288  1  0.010667  0.255809  0.324055  1
  Al  Al289  1  0.613236  0.068651  0.382964  1
  Al  Al290  1  0.279903  0.068651  0.382964  1
  Al  Al291  1  0.609634  0.773974  0.408425  1
  Al  Al292  1  0.946569  0.068651  0.382964  1
  Al  Al293  1  0.276301  0.773974  0.408425  1
  Al  Al294  1  0.617359  0.364598  0.357197  1
  Al  Al295  1  0.942967  0.773974  0.408425  1
  Al  Al296  1  0.284026  0.364598  0.357197  1
  Al  Al297  1  0.950693  0.364598  0.357197  1
  Al  Al298  1  0.609481  0.274463  0.408605  1
  Al  Al299  1  0.276148  0.274463  0.408605  1
  Al  Al300  1  0.617286  0.864433  0.356916  1
  Al  Al301  1  0.942814  0.274463  0.408605  1
  Al  Al302  1  0.283952  0.864433  0.356916  1
  Al  Al303  1  0.613509  0.568876  0.382571  1
  Al  Al304  1  0.950619  0.864433  0.356916  1
  Al  Al305  1  0.280176  0.568876  0.382571  1
  Al  Al306  1  0.946843  0.568876  0.382571  1
  Al  Al307  1  0.893850  0.766006  0.365463  1
  Al  Al308  1  0.560516  0.766006  0.365463  1
  Al  Al309  1  0.889766  0.471063  0.391125  1
  Al  Al310  1  0.227183  0.766006  0.365463  1
  Al  Al311  1  0.556432  0.471063  0.391125  1
  Al  Al312  1  0.886197  0.175512  0.417172  1
  Al  Al313  1  0.223099  0.471063  0.391125  1
  Al  Al314  1  0.552863  0.175512  0.417172  1
  Al  Al315  1  0.219530  0.175512  0.417172  1
  Al  Al316  1  0.840683  0.962394  0.348308  1
  Al  Al317  1  0.507349  0.962394  0.348308  1
  Al  Al318  1  0.836895  0.667242  0.374130  1
  Al  Al319  1  0.174016  0.962394  0.348308  1
  Al  Al320  1  0.503562  0.667242  0.374130  1
  Al  Al321  1  0.833123  0.372884  0.399726  1
  Al  Al322  1  0.170229  0.667242  0.374130  1
  Al  Al323  1  0.499789  0.372884  0.399726  1
  Al  Al324  1  0.166456  0.372884  0.399726  1
  Al  Al325  1  0.779903  0.068651  0.382964  1
  Al  Al326  1  0.446569  0.068651  0.382964  1
  Al  Al327  1  0.776301  0.773974  0.408425  1
  Al  Al328  1  0.113236  0.068651  0.382964  1
  Al  Al329  1  0.442967  0.773974  0.408425  1
  Al  Al330  1  0.784026  0.364598  0.357197  1
  Al  Al331  1  0.109634  0.773974  0.408425  1
  Al  Al332  1  0.450693  0.364598  0.357197  1
  Al  Al333  1  0.117359  0.364598  0.357197  1
  Al  Al334  1  0.783952  0.864433  0.356916  1
  Al  Al335  1  0.450619  0.864433  0.356916  1
  Al  Al336  1  0.780176  0.568876  0.382571  1
  Al  Al337  1  0.117286  0.864433  0.356916  1
  Al  Al338  1  0.446843  0.568876  0.382571  1
  Al  Al339  1  0.776148  0.274463  0.408605  1
  Al  Al340  1  0.113509  0.568876  0.382571  1
  Al  Al341  1  0.442814  0.274463  0.408605  1
  Al  Al342  1  0.109481  0.274463  0.408605  1
  Al  Al343  1  0.719530  0.175512  0.417172  1
  Al  Al344  1  0.386197  0.175512  0.417172  1
  Al  Al345  1  0.727183  0.766006  0.365463  1
  Al  Al346  1  0.052863  0.175512  0.417172  1
  Al  Al347  1  0.393850  0.766006  0.365463  1
  Al  Al348  1  0.723099  0.471063  0.391125  1
  Al  Al349  1  0.060516  0.766006  0.365463  1
  Al  Al350  1  0.389766  0.471063  0.391125  1
  Al  Al351  1  0.056432  0.471063  0.391125  1
  Al  Al352  1  0.674016  0.962394  0.348308  1
  Al  Al353  1  0.340683  0.962394  0.348308  1
  Al  Al354  1  0.670229  0.667242  0.374130  1
  Al  Al355  1  0.007349  0.962394  0.348308  1
  Al  Al356  1  0.336895  0.667242  0.374130  1
  Al  Al357  1  0.666456  0.372884  0.399726  1
  Al  Al358  1  0.003562  0.667242  0.374130  1
  Al  Al359  1  0.333123  0.372884  0.399726  1
  Al  Al360  1  0.999789  0.372884  0.399726  1
  Al  Al361  1  0.601905  0.184211  0.460022  1
  Al  Al362  1  0.268572  0.184211  0.460022  1
  Al  Al363  1  0.598044  0.889079  0.485734  1
  Al  Al364  1  0.935238  0.184211  0.460022  1
  Al  Al365  1  0.264711  0.889079  0.485734  1
  Al  Al366  1  0.605732  0.479151  0.434111  1
  Al  Al367  1  0.931377  0.889079  0.485734  1
  Al  Al368  1  0.272399  0.479151  0.434111  1
  Al  Al369  1  0.939065  0.479151  0.434111  1
  Al  Al370  1  0.598086  0.389212  0.485601  1
  Al  Al371  1  0.264752  0.389212  0.485601  1
  Al  Al372  1  0.605757  0.978657  0.434312  1
  Al  Al373  1  0.931419  0.389212  0.485601  1
  Al  Al374  1  0.272424  0.978657  0.434312  1
  Al  Al375  1  0.601888  0.684263  0.459905  1
  Al  Al376  1  0.939091  0.978657  0.434312  1
  Al  Al377  1  0.268555  0.684263  0.459905  1
  Al  Al378  1  0.935222  0.684263  0.459905  1
  Al  Al379  1  0.882230  0.880516  0.442867  1
  Al  Al380  1  0.548897  0.880516  0.442867  1
  Al  Al381  1  0.878456  0.585958  0.468420  1
  Al  Al382  1  0.215563  0.880516  0.442867  1
  Al  Al383  1  0.545122  0.585958  0.468420  1
  Al  Al384  1  0.874586  0.290797  0.494243  1
  Al  Al385  1  0.211789  0.585958  0.468420  1
  Al  Al386  1  0.541253  0.290797  0.494243  1
  Al  Al387  1  0.207919  0.290797  0.494243  1
  Al  Al388  1  0.829130  0.076978  0.425906  1
  Al  Al389  1  0.495796  0.076978  0.425906  1
  Al  Al390  1  0.825436  0.782484  0.451344  1
  Al  Al391  1  0.162463  0.076978  0.425906  1
  Al  Al392  1  0.492103  0.782484  0.451344  1
  Al  Al393  1  0.821504  0.487680  0.477049  1
  Al  Al394  1  0.158770  0.782484  0.451344  1
  Al  Al395  1  0.488171  0.487680  0.477049  1
  Al  Al396  1  0.154837  0.487680  0.477049  1
  Al  Al397  1  0.768572  0.184211  0.460022  1
  Al  Al398  1  0.435238  0.184211  0.460022  1
  Al  Al399  1  0.764711  0.889079  0.485734  1
  Al  Al400  1  0.101905  0.184211  0.460022  1
  Al  Al401  1  0.431377  0.889079  0.485734  1
  Al  Al402  1  0.772399  0.479151  0.434111  1
  Al  Al403  1  0.098044  0.889079  0.485734  1
  Al  Al404  1  0.439065  0.479151  0.434111  1
  Al  Al405  1  0.105732  0.479151  0.434111  1
  Al  Al406  1  0.772424  0.978657  0.434312  1
  Al  Al407  1  0.439091  0.978657  0.434312  1
  Al  Al408  1  0.768555  0.684263  0.459905  1
  Al  Al409  1  0.105757  0.978657  0.434312  1
  Al  Al410  1  0.435222  0.684263  0.459905  1
  Al  Al411  1  0.764752  0.389212  0.485601  1
  Al  Al412  1  0.101888  0.684263  0.459905  1
  Al  Al413  1  0.431419  0.389212  0.485601  1
  Al  Al414  1  0.098086  0.389212  0.485601  1
  Al  Al415  1  0.707919  0.290797  0.494243  1
  Al  Al416  1  0.374586  0.290797  0.494243  1
  Al  Al417  1  0.715563  0.880516  0.442867  1
  Al  Al418  1  0.041253  0.290797  0.494243  1
  Al  Al419  1  0.382230  0.880516  0.442867  1
  Al  Al420  1  0.711789  0.585958  0.468420  1
  Al  Al421  1  0.048897  0.880516  0.442867  1
  Al  Al422  1  0.378456  0.585958  0.468420  1
  Al  Al423  1  0.045122  0.585958  0.468420  1
  Al  Al424  1  0.662463  0.076978  0.425906  1
  Al  Al425  1  0.329130  0.076978  0.425906  1
  Al  Al426  1  0.658770  0.782484  0.451344  1
  Al  Al427  1  0.995796  0.076978  0.425906  1
  Al  Al428  1  0.325436  0.782484  0.451344  1
  Al  Al429  1  0.654837  0.487680  0.477049  1
  Al  Al430  1  0.992103  0.782484  0.451344  1
  Al  Al431  1  0.321504  0.487680  0.477049  1
  Al  Al432  1  0.988171  0.487680  0.477049  1
  Al  Al433  1  0.590405  0.299176  0.537073  1
  Al  Al434  1  0.257071  0.299176  0.537073  1
  Al  Al435  1  0.586577  0.004236  0.562984  1
  Al  Al436  1  0.923738  0.299176  0.537073  1
  Al  Al437  1  0.253244  0.004236  0.562984  1
  Al  Al438  1  0.594265  0.594307  0.511361  1
  Al  Al439  1  0.919911  0.004236  0.562984  1
  Al  Al440  1  0.260932  0.594307  0.511361  1
  Al  Al441  1  0.927599  0.594307  0.511361  1
  Al  Al442  1  0.586552  0.504729  0.562783  1
  Al  Al443  1  0.253219  0.504729  0.562783  1
  Al  Al444  1  0.594224  0.094174  0.511494  1
  Al  Al445  1  0.919885  0.504729  0.562783  1
  Al  Al446  1  0.260890  0.094174  0.511494  1
  Al  Al447  1  0.590421  0.799124  0.537190  1
  Al  Al448  1  0.927557  0.094174  0.511494  1
  Al  Al449  1  0.257088  0.799124  0.537190  1
  Al  Al450  1  0.923755  0.799124  0.537190  1
  Al  Al451  1  0.870805  0.995706  0.520046  1
  Al  Al452  1  0.537472  0.995706  0.520046  1
  Al  Al453  1  0.866873  0.700903  0.545750  1
  Al  Al454  1  0.204139  0.995706  0.520046  1
  Al  Al455  1  0.533540  0.700903  0.545750  1
  Al  Al456  1  0.863180  0.406409  0.571189  1
  Al  Al457  1  0.200206  0.700903  0.545750  1
  Al  Al458  1  0.529846  0.406409  0.571189  1
  Al  Al459  1  0.196513  0.406409  0.571189  1
  Al  Al460  1  0.817723  0.192589  0.502852  1
  Al  Al461  1  0.484390  0.192589  0.502852  1
  Al  Al462  1  0.813854  0.897429  0.528675  1
  Al  Al463  1  0.151057  0.192589  0.502852  1
  Al  Al464  1  0.480520  0.897429  0.528675  1
  Al  Al465  1  0.810079  0.602871  0.554228  1
  Al  Al466  1  0.147187  0.897429  0.528675  1
  Al  Al467  1  0.476746  0.602871  0.554228  1
  Al  Al468  1  0.143413  0.602871  0.554228  1
  Al  Al469  1  0.757071  0.299176  0.537073  1
  Al  Al470  1  0.423738  0.299176  0.537073  1
  Al  Al471  1  0.753244  0.004236  0.562984  1
  Al  Al472  1  0.090405  0.299176  0.537073  1
  Al  Al473  1  0.419911  0.004236  0.562984  1
  Al  Al474  1  0.760932  0.594307  0.511361  1
  Al  Al475  1  0.086577  0.004236  0.562984  1
  Al  Al476  1  0.427599  0.594307  0.511361  1
  Al  Al477  1  0.094265  0.594307  0.511361  1
  Al  Al478  1  0.760890  0.094174  0.511494  1
  Al  Al479  1  0.427557  0.094174  0.511494  1
  Al  Al480  1  0.757088  0.799124  0.537190  1
  Al  Al481  1  0.094224  0.094174  0.511494  1
  Al  Al482  1  0.423755  0.799124  0.537190  1
  Al  Al483  1  0.753219  0.504729  0.562783  1
  Al  Al484  1  0.090421  0.799124  0.537190  1
  Al  Al485  1  0.419885  0.504729  0.562783  1
  Al  Al486  1  0.086552  0.504729  0.562783  1
  Al  Al487  1  0.696513  0.406409  0.571189  1
  Al  Al488  1  0.363180  0.406409  0.571189  1
  Al  Al489  1  0.704139  0.995706  0.520046  1
  Al  Al490  1  0.029846  0.406409  0.571189  1
  Al  Al491  1  0.370805  0.995706  0.520046  1
  Al  Al492  1  0.700206  0.700903  0.545750  1
  Al  Al493  1  0.037472  0.995706  0.520046  1
  Al  Al494  1  0.366873  0.700903  0.545750  1
  Al  Al495  1  0.033540  0.700903  0.545750  1
  Al  Al496  1  0.651057  0.192589  0.502852  1
  Al  Al497  1  0.317723  0.192589  0.502852  1
  Al  Al498  1  0.647187  0.897429  0.528675  1
  Al  Al499  1  0.984390  0.192589  0.502852  1
  Al  Al500  1  0.313854  0.897429  0.528675  1
  Al  Al501  1  0.643413  0.602871  0.554228  1
  Al  Al502  1  0.980520  0.897429  0.528675  1
  Al  Al503  1  0.310079  0.602871  0.554228  1
  Al  Al504  1  0.976746  0.602871  0.554228  1
  Al  Al505  1  0.579073  0.414736  0.614131  1
  Al  Al506  1  0.245740  0.414736  0.614131  1
  Al  Al507  1  0.574950  0.118789  0.639897  1
  Al  Al508  1  0.912407  0.414736  0.614131  1
  Al  Al509  1  0.241617  0.118789  0.639897  1
  Al  Al510  1  0.582675  0.709413  0.588670  1
  Al  Al511  1  0.908283  0.118789  0.639897  1
  Al  Al512  1  0.249342  0.709413  0.588670  1
  Al  Al513  1  0.916009  0.709413  0.588670  1
  Al  Al514  1  0.575024  0.618954  0.640179  1
  Al  Al515  1  0.241690  0.618954  0.640179  1
  Al  Al516  1  0.582828  0.208923  0.588490  1
  Al  Al517  1  0.908357  0.618954  0.640179  1
  Al  Al518  1  0.249495  0.208923  0.588490  1
  Al  Al519  1  0.578800  0.914510  0.614524  1
  Al  Al520  1  0.916162  0.208923  0.588490  1
  Al  Al521  1  0.245467  0.914510  0.614524  1
  Al  Al522  1  0.912133  0.914510  0.614524  1
  Al  Al523  1  0.859187  0.110503  0.597368  1
  Al  Al524  1  0.525853  0.110503  0.597368  1
  Al  Al525  1  0.855414  0.816145  0.622965  1
  Al  Al526  1  0.192520  0.110503  0.597368  1
  Al  Al527  1  0.522081  0.816145  0.622965  1
  Al  Al528  1  0.851627  0.520993  0.648786  1
  Al  Al529  1  0.188747  0.816145  0.622965  1
  Al  Al530  1  0.518294  0.520993  0.648786  1
  Al  Al531  1  0.184960  0.520993  0.648786  1
  Al  Al532  1  0.806113  0.307875  0.579923  1
  Al  Al533  1  0.472780  0.307875  0.579923  1
  Al  Al534  1  0.802544  0.012323  0.605970  1
  Al  Al535  1  0.139446  0.307875  0.579923  1
  Al  Al536  1  0.469211  0.012323  0.605970  1
  Al  Al537  1  0.798460  0.717380  0.631632  1
  Al  Al538  1  0.135877  0.012323  0.605970  1
  Al  Al539  1  0.465127  0.717380  0.631632  1
  Al  Al540  1  0.131793  0.717380  0.631632  1
  Al  Al541  1  0.745740  0.414736  0.614131  1
  Al  Al542  1  0.412407  0.414736  0.614131  1
  Al  Al543  1  0.741617  0.118789  0.639897  1
  Al  Al544  1  0.079073  0.414736  0.614131  1
  Al  Al545  1  0.408283  0.118789  0.639897  1
  Al  Al546  1  0.749342  0.709413  0.588670  1
  Al  Al547  1  0.074950  0.118789  0.639897  1
  Al  Al548  1  0.416009  0.709413  0.588670  1
  Al  Al549  1  0.082675  0.709413  0.588670  1
  Al  Al550  1  0.749495  0.208923  0.588490  1
  Al  Al551  1  0.416162  0.208923  0.588490  1
  Al  Al552  1  0.745467  0.914510  0.614524  1
  Al  Al553  1  0.082828  0.208923  0.588490  1
  Al  Al554  1  0.412133  0.914510  0.614524  1
  Al  Al555  1  0.741690  0.618954  0.640179  1
  Al  Al556  1  0.078800  0.914510  0.614524  1
  Al  Al557  1  0.408357  0.618954  0.640179  1
  Al  Al558  1  0.075024  0.618954  0.640179  1
  Al  Al559  1  0.684960  0.520993  0.648786  1
  Al  Al560  1  0.351627  0.520993  0.648786  1
  Al  Al561  1  0.692520  0.110503  0.597368  1
  Al  Al562  1  0.018294  0.520993  0.648786  1
  Al  Al563  1  0.359187  0.110503  0.597368  1
  Al  Al564  1  0.688747  0.816145  0.622965  1
  Al  Al565  1  0.025853  0.110503  0.597368  1
  Al  Al566  1  0.355414  0.816145  0.622965  1
  Al  Al567  1  0.022081  0.816145  0.622965  1
  Al  Al568  1  0.639446  0.307875  0.579923  1
  Al  Al569  1  0.306113  0.307875  0.579923  1
  Al  Al570  1  0.635877  0.012323  0.605970  1
  Al  Al571  1  0.972780  0.307875  0.579923  1
  Al  Al572  1  0.302544  0.012323  0.605970  1
  Al  Al573  1  0.631793  0.717380  0.631632  1
  Al  Al574  1  0.969211  0.012323  0.605970  1
  Al  Al575  1  0.298460  0.717380  0.631632  1
  Al  Al576  1  0.965127  0.717380  0.631632  1
  Al  Al577  1  0.567572  0.528811  0.692009  1
  Al  Al578  1  0.234239  0.528811  0.692009  1
  Al  Al579  1  0.564243  0.233553  0.715292  1
  Al  Al580  1  0.900906  0.528811  0.692009  1
  Al  Al581  1  0.230909  0.233553  0.715292  1
  Al  Al582  1  0.571249  0.823866  0.665614  1
  Al  Al583  1  0.897576  0.233553  0.715292  1
  Al  Al584  1  0.237915  0.823866  0.665614  1
  Al  Al585  1  0.904582  0.823866  0.665614  1
  Al  Al586  1  0.563689  0.732443  0.714862  1
  Al  Al587  1  0.230356  0.732443  0.714862  1
  Al  Al588  1  0.571178  0.326382  0.665384  1
  Al  Al589  1  0.897023  0.732443  0.714862  1
  Al  Al590  1  0.237844  0.326382  0.665384  1
  Al  Al591  1  0.567613  0.027126  0.691683  1
  Al  Al592  1  0.904511  0.326382  0.665384  1
  Al  Al593  1  0.234280  0.027126  0.691683  1
  Al  Al594  1  0.900947  0.027126  0.691683  1
  Al  Al595  1  0.848309  0.227578  0.673040  1
  Al  Al596  1  0.514976  0.227578  0.673040  1
  Al  Al597  1  0.843350  0.931672  0.700286  1
  Al  Al598  1  0.181643  0.227578  0.673040  1
  Al  Al599  1  0.510017  0.931672  0.700286  1
  Al  Al600  1  0.840077  0.634058  0.723295  1
  Al  Al601  1  0.176683  0.931672  0.700286  1
  Al  Al602  1  0.506743  0.634058  0.723295  1
  Al  Al603  1  0.173410  0.634058  0.723295  1
  Al  Al604  1  0.794988  0.423064  0.656904  1
  Al  Al605  1  0.461654  0.423064  0.656904  1
  Al  Al606  1  0.789919  0.128037  0.682309  1
  Al  Al607  1  0.128321  0.423064  0.656904  1
  Al  Al608  1  0.456586  0.128037  0.682309  1
  Al  Al609  1  0.787181  0.831004  0.707643  1
  Al  Al610  1  0.123252  0.128037  0.682309  1
  Al  Al611  1  0.453848  0.831004  0.707643  1
  Al  Al612  1  0.120515  0.831004  0.707643  1
  Al  Al613  1  0.734239  0.528811  0.692009  1
  Al  Al614  1  0.400906  0.528811  0.692009  1
  Al  Al615  1  0.730909  0.233553  0.715292  1
  Al  Al616  1  0.067572  0.528811  0.692009  1
  Al  Al617  1  0.397576  0.233553  0.715292  1
  Al  Al618  1  0.737915  0.823866  0.665614  1
  Al  Al619  1  0.064243  0.233553  0.715292  1
  Al  Al620  1  0.404582  0.823866  0.665614  1
  Al  Al621  1  0.071249  0.823866  0.665614  1
  Al  Al622  1  0.737844  0.326382  0.665384  1
  Al  Al623  1  0.404511  0.326382  0.665384  1
  Al  Al624  1  0.734280  0.027126  0.691683  1
  Al  Al625  1  0.071178  0.326382  0.665384  1
  Al  Al626  1  0.400947  0.027126  0.691683  1
  Al  Al627  1  0.730356  0.732443  0.714862  1
  Al  Al628  1  0.067613  0.027126  0.691683  1
  Al  Al629  1  0.397023  0.732443  0.714862  1
  Al  Al630  1  0.063689  0.732443  0.714862  1
  Al  Al631  1  0.673410  0.634058  0.723295  1
  Al  Al632  1  0.340077  0.634058  0.723295  1
  Al  Al633  1  0.681643  0.227578  0.673040  1
  Al  Al634  1  0.006743  0.634058  0.723295  1
  Al  Al635  1  0.348309  0.227578  0.673040  1
  Al  Al636  1  0.676683  0.931672  0.700286  1
  Al  Al637  1  0.014976  0.227578  0.673040  1
  Al  Al638  1  0.343350  0.931672  0.700286  1
  Al  Al639  1  0.010017  0.931672  0.700286  1
  Al  Al640  1  0.628321  0.423064  0.656904  1
  Al  Al641  1  0.294988  0.423064  0.656904  1
  Al  Al642  1  0.623252  0.128037  0.682309  1
  Al  Al643  1  0.961654  0.423064  0.656904  1
  Al  Al644  1  0.289919  0.128037  0.682309  1
  Al  Al645  1  0.620515  0.831004  0.707643  1
  Al  Al646  1  0.956586  0.128037  0.682309  1
  Al  Al647  1  0.287181  0.831004  0.707643  1
  Al  Al648  1  0.953848  0.831004  0.707643  1
