# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   35.51613683
_cell_length_b   12.64897442
_cell_length_c   48.63125131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.03650750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti216 Al432'
_cell_volume   21834.4075893
_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  0.513292  0.266857  0.322881  1
  Ti  Ti2  1  0.846625  0.933523  0.322881  1
  Ti  Ti3  1  0.855201  0.334689  0.274297  1
  Ti  Ti4  1  0.179959  0.600190  0.322881  1
  Ti  Ti5  1  0.188535  1.001356  0.274297  1
  Ti  Ti6  1  0.183312  0.298112  0.297101  1
  Ti  Ti7  1  0.521868  0.668023  0.274297  1
  Ti  Ti8  1  0.516646  0.964779  0.297101  1
  Ti  Ti9  1  0.849979  0.631445  0.297101  1
  Ti  Ti10  1  0.573711  0.308085  0.289212  1
  Ti  Ti11  1  0.907044  0.974752  0.289212  1
  Ti  Ti12  1  0.902932  0.278182  0.313744  1
  Ti  Ti13  1  0.240378  0.641418  0.289212  1
  Ti  Ti14  1  0.236265  0.944849  0.313744  1
  Ti  Ti15  1  0.232687  0.245596  0.340153  1
  Ti  Ti16  1  0.569598  0.611515  0.313744  1
  Ti  Ti17  1  0.566021  0.912263  0.340153  1
  Ti  Ti18  1  0.899354  0.578929  0.340153  1
  Ti  Ti19  1  0.355201  0.334689  0.274297  1
  Ti  Ti20  1  0.688535  1.001356  0.274297  1
  Ti  Ti21  1  0.683312  0.298112  0.297101  1
  Ti  Ti22  1  0.021868  0.668023  0.274297  1
  Ti  Ti23  1  0.016646  0.964779  0.297101  1
  Ti  Ti24  1  0.013292  0.266857  0.322881  1
  Ti  Ti25  1  0.349979  0.631445  0.297101  1
  Ti  Ti26  1  0.346625  0.933523  0.322881  1
  Ti  Ti27  1  0.679959  0.600190  0.322881  1
  Ti  Ti28  1  0.402932  0.278182  0.313744  1
  Ti  Ti29  1  0.736265  0.944849  0.313744  1
  Ti  Ti30  1  0.732687  0.245596  0.340153  1
  Ti  Ti31  1  0.069598  0.611515  0.313744  1
  Ti  Ti32  1  0.066021  0.912263  0.340153  1
  Ti  Ti33  1  0.073711  0.308085  0.289212  1
  Ti  Ti34  1  0.399354  0.578929  0.340153  1
  Ti  Ti35  1  0.407044  0.974752  0.289212  1
  Ti  Ti36  1  0.740378  0.641418  0.289212  1
  Ti  Ti37  1  0.501960  0.171061  0.399774  1
  Ti  Ti38  1  0.835293  0.837727  0.399774  1
  Ti  Ti39  1  0.842452  0.234719  0.347686  1
  Ti  Ti40  1  0.168627  0.504394  0.399774  1
  Ti  Ti41  1  0.175785  0.901385  0.347686  1
  Ti  Ti42  1  0.172479  0.203885  0.374743  1
  Ti  Ti43  1  0.509119  0.568052  0.347686  1
  Ti  Ti44  1  0.505812  0.870552  0.374743  1
  Ti  Ti45  1  0.839145  0.537218  0.374743  1
  Ti  Ti46  1  0.562183  0.213777  0.365500  1
  Ti  Ti47  1  0.895516  0.880444  0.365500  1
  Ti  Ti48  1  0.891786  0.181680  0.391235  1
  Ti  Ti49  1  0.228849  0.547110  0.365500  1
  Ti  Ti50  1  0.225120  0.848347  0.391235  1
  Ti  Ti51  1  0.221590  0.149502  0.416973  1
  Ti  Ti52  1  0.558453  0.515014  0.391235  1
  Ti  Ti53  1  0.554923  0.816169  0.416973  1
  Ti  Ti54  1  0.888256  0.482836  0.416973  1
  Ti  Ti55  1  0.342452  0.234719  0.347686  1
  Ti  Ti56  1  0.675785  0.901385  0.347686  1
  Ti  Ti57  1  0.672479  0.203885  0.374743  1
  Ti  Ti58  1  0.009119  0.568052  0.347686  1
  Ti  Ti59  1  0.005812  0.870552  0.374743  1
  Ti  Ti60  1  1.001960  0.171061  0.399774  1
  Ti  Ti61  1  0.339145  0.537218  0.374743  1
  Ti  Ti62  1  0.335293  0.837727  0.399774  1
  Ti  Ti63  1  0.668627  0.504394  0.399774  1
  Ti  Ti64  1  0.391786  0.181680  0.391235  1
  Ti  Ti65  1  0.725120  0.848347  0.391235  1
  Ti  Ti66  1  0.721590  0.149502  0.416973  1
  Ti  Ti67  1  0.058453  0.515014  0.391235  1
  Ti  Ti68  1  0.054923  0.816169  0.416973  1
  Ti  Ti69  1  0.062183  0.213777  0.365500  1
  Ti  Ti70  1  0.388256  0.482836  0.416973  1
  Ti  Ti71  1  0.395516  0.880444  0.365500  1
  Ti  Ti72  1  0.728849  0.547110  0.365500  1
  Ti  Ti73  1  0.490856  0.074881  0.477068  1
  Ti  Ti74  1  0.824190  0.741547  0.477068  1
  Ti  Ti75  1  0.831631  0.138838  0.425577  1
  Ti  Ti76  1  0.157523  0.408214  0.477068  1
  Ti  Ti77  1  0.164965  0.805505  0.425577  1
  Ti  Ti78  1  0.161298  0.106665  0.451167  1
  Ti  Ti79  1  0.498298  0.472171  0.425577  1
  Ti  Ti80  1  0.494632  0.773332  0.451167  1
  Ti  Ti81  1  0.827965  0.439999  0.451167  1
  Ti  Ti82  1  0.551109  0.117646  0.442807  1
  Ti  Ti83  1  0.884442  0.784313  0.442807  1
  Ti  Ti84  1  0.880755  0.085340  0.468424  1
  Ti  Ti85  1  0.217776  0.450980  0.442807  1
  Ti  Ti86  1  0.214089  0.752007  0.468424  1
  Ti  Ti87  1  0.210391  0.053280  0.494134  1
  Ti  Ti88  1  0.547422  0.418673  0.468424  1
  Ti  Ti89  1  0.543724  0.719947  0.494134  1
  Ti  Ti90  1  0.877058  0.386613  0.494134  1
  Ti  Ti91  1  0.331631  0.138838  0.425577  1
  Ti  Ti92  1  0.664965  0.805505  0.425577  1
  Ti  Ti93  1  0.661298  0.106665  0.451167  1
  Ti  Ti94  1  0.998298  0.472171  0.425577  1
  Ti  Ti95  1  0.994632  0.773332  0.451167  1
  Ti  Ti96  1  0.990856  0.074881  0.477068  1
  Ti  Ti97  1  0.327965  0.439999  0.451167  1
  Ti  Ti98  1  0.324190  0.741547  0.477068  1
  Ti  Ti99  1  0.657523  0.408214  0.477068  1
  Ti  Ti100  1  0.380755  0.085340  0.468424  1
  Ti  Ti101  1  0.714089  0.752007  0.468424  1
  Ti  Ti102  1  0.710391  0.053280  0.494134  1
  Ti  Ti103  1  0.047422  0.418673  0.468424  1
  Ti  Ti104  1  0.043724  0.719947  0.494134  1
  Ti  Ti105  1  0.051109  0.117646  0.442807  1
  Ti  Ti106  1  0.377058  0.386613  0.494134  1
  Ti  Ti107  1  0.384442  0.784313  0.442807  1
  Ti  Ti108  1  0.717776  0.450980  0.442807  1
  Ti  Ti109  1  0.479816  0.978218  0.554033  1
  Ti  Ti110  1  0.813150  0.644885  0.554033  1
  Ti  Ti111  1  0.820534  0.042584  0.502706  1
  Ti  Ti112  1  0.146483  0.311551  0.554033  1
  Ti  Ti113  1  0.153868  0.709251  0.502706  1
  Ti  Ti114  1  0.150170  0.010524  0.528415  1
  Ti  Ti115  1  0.487201  0.375918  0.502706  1
  Ti  Ti116  1  0.483503  0.677191  0.528415  1
  Ti  Ti117  1  0.816837  0.343858  0.528415  1
  Ti  Ti118  1  0.540069  0.020983  0.519772  1
  Ti  Ti119  1  0.873402  0.687650  0.519772  1
  Ti  Ti120  1  0.869627  0.989199  0.545673  1
  Ti  Ti121  1  0.206736  0.354317  0.519772  1
  Ti  Ti122  1  0.202960  0.655866  0.545673  1
  Ti  Ti123  1  0.199294  0.957026  0.571263  1
  Ti  Ti124  1  0.536294  0.322532  0.545673  1
  Ti  Ti125  1  0.532627  0.623693  0.571263  1
  Ti  Ti126  1  0.865961  0.290360  0.571263  1
  Ti  Ti127  1  0.320534  0.042584  0.502706  1
  Ti  Ti128  1  0.653868  0.709251  0.502706  1
  Ti  Ti129  1  0.650170  0.010524  0.528415  1
  Ti  Ti130  1  0.987201  0.375918  0.502706  1
  Ti  Ti131  1  0.983503  0.677191  0.528415  1
  Ti  Ti132  1  0.979816  0.978218  0.554033  1
  Ti  Ti133  1  0.316837  0.343858  0.528415  1
  Ti  Ti134  1  0.313150  0.644885  0.554033  1
  Ti  Ti135  1  0.646483  0.311551  0.554033  1
  Ti  Ti136  1  0.369627  0.989199  0.545673  1
  Ti  Ti137  1  0.702960  0.655866  0.545673  1
  Ti  Ti138  1  0.699294  0.957026  0.571263  1
  Ti  Ti139  1  0.036294  0.322532  0.545673  1
  Ti  Ti140  1  0.032627  0.623693  0.571263  1
  Ti  Ti141  1  0.040069  0.020983  0.519772  1
  Ti  Ti142  1  0.365961  0.290360  0.571263  1
  Ti  Ti143  1  0.373402  0.687650  0.519772  1
  Ti  Ti144  1  0.706736  0.354317  0.519772  1
  Ti  Ti145  1  0.468743  0.882087  0.631339  1
  Ti  Ti146  1  0.802076  0.548754  0.631339  1
  Ti  Ti147  1  0.809336  0.946362  0.579867  1
  Ti  Ti148  1  0.135410  0.215420  0.631339  1
  Ti  Ti149  1  0.142669  0.613029  0.579867  1
  Ti  Ti150  1  0.139139  0.914184  0.605604  1
  Ti  Ti151  1  0.476002  0.279695  0.579867  1
  Ti  Ti152  1  0.472472  0.580851  0.605604  1
  Ti  Ti153  1  0.805806  0.247517  0.605604  1
  Ti  Ti154  1  0.528965  0.924804  0.597065  1
  Ti  Ti155  1  0.862299  0.591470  0.597065  1
  Ti  Ti156  1  0.858447  0.891979  0.622096  1
  Ti  Ti157  1  0.195632  0.258137  0.597065  1
  Ti  Ti158  1  0.191780  0.558646  0.622096  1
  Ti  Ti159  1  0.188473  0.861146  0.649153  1
  Ti  Ti160  1  0.525113  0.225312  0.622096  1
  Ti  Ti161  1  0.521807  0.527812  0.649153  1
  Ti  Ti162  1  0.855140  0.194479  0.649153  1
  Ti  Ti163  1  0.309336  0.946362  0.579867  1
  Ti  Ti164  1  0.642669  0.613029  0.579867  1
  Ti  Ti165  1  0.639139  0.914184  0.605604  1
  Ti  Ti166  1  0.976002  0.279695  0.579867  1
  Ti  Ti167  1  0.972472  0.580851  0.605604  1
  Ti  Ti168  1  0.968743  0.882087  0.631339  1
  Ti  Ti169  1  0.305806  0.247517  0.605604  1
  Ti  Ti170  1  0.302076  0.548754  0.631339  1
  Ti  Ti171  1  0.635410  0.215420  0.631339  1
  Ti  Ti172  1  0.358447  0.891979  0.622096  1
  Ti  Ti173  1  0.691780  0.558646  0.622096  1
  Ti  Ti174  1  0.688473  0.861146  0.649153  1
  Ti  Ti175  1  0.025113  0.225312  0.622096  1
  Ti  Ti176  1  0.021807  0.527812  0.649153  1
  Ti  Ti177  1  0.028965  0.924804  0.597065  1
  Ti  Ti178  1  0.355140  0.194479  0.649153  1
  Ti  Ti179  1  0.362299  0.591470  0.597065  1
  Ti  Ti180  1  0.695632  0.258137  0.597065  1
  Ti  Ti181  1  0.457214  0.787779  0.707627  1
  Ti  Ti182  1  0.790548  0.454446  0.707627  1
  Ti  Ti183  1  0.798238  0.850268  0.656687  1
  Ti  Ti184  1  0.123881  0.121113  0.707627  1
  Ti  Ti185  1  0.131571  0.516935  0.656687  1
  Ti  Ti186  1  0.127994  0.817682  0.683095  1
  Ti  Ti187  1  0.464905  0.183602  0.656687  1
  Ti  Ti188  1  0.461327  0.484349  0.683095  1
  Ti  Ti189  1  0.794660  0.151016  0.683095  1
  Ti  Ti190  1  0.517633  0.829007  0.673958  1
  Ti  Ti191  1  0.850967  0.495674  0.673958  1
  Ti  Ti192  1  0.847613  0.797752  0.699739  1
  Ti  Ti193  1  0.184300  0.162341  0.673958  1
  Ti  Ti194  1  0.180946  0.464419  0.699739  1
  Ti  Ti195  1  0.175724  0.761175  0.722543  1
  Ti  Ti196  1  0.514280  0.131086  0.699739  1
  Ti  Ti197  1  0.509057  0.427842  0.722543  1
  Ti  Ti198  1  0.842391  0.094508  0.722543  1
  Ti  Ti199  1  0.298238  0.850268  0.656687  1
  Ti  Ti200  1  0.631571  0.516935  0.656687  1
  Ti  Ti201  1  0.627994  0.817682  0.683095  1
  Ti  Ti202  1  0.964905  0.183602  0.656687  1
  Ti  Ti203  1  0.961327  0.484349  0.683095  1
  Ti  Ti204  1  0.957214  0.787779  0.707627  1
  Ti  Ti205  1  0.294660  0.151016  0.683095  1
  Ti  Ti206  1  0.290548  0.454446  0.707627  1
  Ti  Ti207  1  0.623881  0.121113  0.707627  1
  Ti  Ti208  1  0.347613  0.797752  0.699739  1
  Ti  Ti209  1  0.680946  0.464419  0.699739  1
  Ti  Ti210  1  0.675724  0.761175  0.722543  1
  Ti  Ti211  1  0.014280  0.131086  0.699739  1
  Ti  Ti212  1  0.009057  0.427842  0.722543  1
  Ti  Ti213  1  0.017633  0.829007  0.673958  1
  Ti  Ti214  1  0.342391  0.094508  0.722543  1
  Ti  Ti215  1  0.350967  0.495674  0.673958  1
  Ti  Ti216  1  0.684300  0.162341  0.673958  1
  Al  Al217  1  0.292454  0.288788  0.305253  1
  Al  Al218  1  0.625787  0.955455  0.305253  1
  Al  Al219  1  0.623141  0.257369  0.331922  1
  Al  Al220  1  0.959120  0.622121  0.305253  1
  Al  Al221  1  0.956475  0.924035  0.331922  1
  Al  Al222  1  0.963840  0.319675  0.281680  1
  Al  Al223  1  0.289808  0.590702  0.331922  1
  Al  Al224  1  0.297173  0.986341  0.281680  1
  Al  Al225  1  0.630506  0.653008  0.281680  1
  Al  Al226  1  0.297526  0.487733  0.281769  1
  Al  Al227  1  0.630860  0.154400  0.281769  1
  Al  Al228  1  0.626252  0.455725  0.304693  1
  Al  Al229  1  0.964193  0.821067  0.281769  1
  Al  Al230  1  0.959586  0.122392  0.304693  1
  Al  Al231  1  0.956239  0.422824  0.331305  1
  Al  Al232  1  0.292919  0.789058  0.304693  1
  Al  Al233  1  0.289572  0.089490  0.331305  1
  Al  Al234  1  0.622906  0.756157  0.331305  1
  Al  Al235  1  0.566271  0.413024  0.339931  1
  Al  Al236  1  0.899604  0.079691  0.339931  1
  Al  Al237  1  0.907476  0.479255  0.289233  1
  Al  Al238  1  0.232937  0.746357  0.339931  1
  Al  Al239  1  0.240810  0.145921  0.289233  1
  Al  Al240  1  0.236877  0.442998  0.314555  1
  Al  Al241  1  0.574143  0.812588  0.289233  1
  Al  Al242  1  0.570210  0.109665  0.314555  1
  Al  Al243  1  0.903544  0.776331  0.314555  1
  Al  Al244  1  0.517062  0.464836  0.296444  1
  Al  Al245  1  0.850395  0.131503  0.296444  1
  Al  Al246  1  0.846027  0.435432  0.324082  1
  Al  Al247  1  0.183728  0.798170  0.296444  1
  Al  Al248  1  0.179361  0.102099  0.324082  1
  Al  Al249  1  0.188040  0.496511  0.274113  1
  Al  Al250  1  0.512694  0.768765  0.324082  1
  Al  Al251  1  0.521373  0.163178  0.274113  1
  Al  Al252  1  0.854706  0.829845  0.274113  1
  Al  Al253  1  0.463840  0.319675  0.281680  1
  Al  Al254  1  0.797173  0.986341  0.281680  1
  Al  Al255  1  0.792454  0.288788  0.305253  1
  Al  Al256  1  0.130506  0.653008  0.281680  1
  Al  Al257  1  0.125787  0.955455  0.305253  1
  Al  Al258  1  0.123141  0.257369  0.331922  1
  Al  Al259  1  0.459120  0.622121  0.305253  1
  Al  Al260  1  0.456475  0.924035  0.331922  1
  Al  Al261  1  0.789808  0.590702  0.331922  1
  Al  Al262  1  0.456239  0.422824  0.331305  1
  Al  Al263  1  0.789572  0.089490  0.331305  1
  Al  Al264  1  0.797526  0.487733  0.281769  1
  Al  Al265  1  0.122906  0.756157  0.331305  1
  Al  Al266  1  0.130860  0.154400  0.281769  1
  Al  Al267  1  0.126252  0.455725  0.304693  1
  Al  Al268  1  0.464193  0.821067  0.281769  1
  Al  Al269  1  0.459586  0.122392  0.304693  1
  Al  Al270  1  0.792919  0.789058  0.304693  1
  Al  Al271  1  0.407476  0.479255  0.289233  1
  Al  Al272  1  0.740810  0.145921  0.289233  1
  Al  Al273  1  0.736877  0.442998  0.314555  1
  Al  Al274  1  0.074143  0.812588  0.289233  1
  Al  Al275  1  0.070210  0.109665  0.314555  1
  Al  Al276  1  0.066271  0.413024  0.339931  1
  Al  Al277  1  0.403544  0.776331  0.314555  1
  Al  Al278  1  0.399604  0.079691  0.339931  1
  Al  Al279  1  0.732937  0.746357  0.339931  1
  Al  Al280  1  0.346027  0.435432  0.324082  1
  Al  Al281  1  0.679361  0.102099  0.324082  1
  Al  Al282  1  0.688040  0.496511  0.274113  1
  Al  Al283  1  0.012694  0.768765  0.324082  1
  Al  Al284  1  0.021373  0.163178  0.274113  1
  Al  Al285  1  0.017062  0.464836  0.296444  1
  Al  Al286  1  0.354706  0.829845  0.274113  1
  Al  Al287  1  0.350395  0.131503  0.296444  1
  Al  Al288  1  0.683728  0.798170  0.296444  1
  Al  Al289  1  0.282319  0.192218  0.382687  1
  Al  Al290  1  0.615653  0.858885  0.382687  1
  Al  Al291  1  0.611609  0.160449  0.408497  1
  Al  Al292  1  0.948986  0.525552  0.382687  1
  Al  Al293  1  0.944943  0.827115  0.408497  1
  Al  Al294  1  0.952426  0.224141  0.356788  1
  Al  Al295  1  0.278276  0.493782  0.408497  1
  Al  Al296  1  0.285759  0.890808  0.356788  1
  Al  Al297  1  0.619092  0.557475  0.356788  1
  Al  Al298  1  0.285898  0.391206  0.357146  1
  Al  Al299  1  0.619232  0.057873  0.357146  1
  Al  Al300  1  0.615337  0.359260  0.382852  1
  Al  Al301  1  0.952565  0.724539  0.357146  1
  Al  Al302  1  0.948671  0.025927  0.382852  1
  Al  Al303  1  0.945081  0.326866  0.408338  1
  Al  Al304  1  0.282004  0.692593  0.382852  1
  Al  Al305  1  0.278414  0.993532  0.408338  1
  Al  Al306  1  0.611747  0.660199  0.408338  1
  Al  Al307  1  0.555083  0.316197  0.417003  1
  Al  Al308  1  0.888416  0.982863  0.417003  1
  Al  Al309  1  0.895797  0.379745  0.365510  1
  Al  Al310  1  0.221749  0.649530  0.417003  1
  Al  Al311  1  0.229130  0.046411  0.365510  1
  Al  Al312  1  0.225660  0.348760  0.391431  1
  Al  Al313  1  0.562464  0.713078  0.365510  1
  Al  Al314  1  0.558994  0.015427  0.391431  1
  Al  Al315  1  0.892327  0.682094  0.391431  1
  Al  Al316  1  0.505374  0.370034  0.374063  1
  Al  Al317  1  0.838707  0.036701  0.374063  1
  Al  Al318  1  0.835065  0.337278  0.399631  1
  Al  Al319  1  0.172041  0.703367  0.374063  1
  Al  Al320  1  0.168398  0.003945  0.399631  1
  Al  Al321  1  0.175657  0.401758  0.348352  1
  Al  Al322  1  0.501732  0.670612  0.399631  1
  Al  Al323  1  0.508991  0.068424  0.348352  1
  Al  Al324  1  0.842324  0.735091  0.348352  1
  Al  Al325  1  0.452426  0.224141  0.356788  1
  Al  Al326  1  0.785759  0.890808  0.356788  1
  Al  Al327  1  0.782319  0.192218  0.382687  1
  Al  Al328  1  0.119092  0.557475  0.356788  1
  Al  Al329  1  0.115653  0.858885  0.382687  1
  Al  Al330  1  0.111609  0.160449  0.408497  1
  Al  Al331  1  0.448986  0.525552  0.382687  1
  Al  Al332  1  0.444943  0.827115  0.408497  1
  Al  Al333  1  0.778276  0.493782  0.408497  1
  Al  Al334  1  0.445081  0.326866  0.408338  1
  Al  Al335  1  0.778414  0.993532  0.408338  1
  Al  Al336  1  0.785898  0.391206  0.357146  1
  Al  Al337  1  0.111747  0.660199  0.408338  1
  Al  Al338  1  0.119232  0.057873  0.357146  1
  Al  Al339  1  0.115337  0.359260  0.382852  1
  Al  Al340  1  0.452565  0.724539  0.357146  1
  Al  Al341  1  0.448671  0.025927  0.382852  1
  Al  Al342  1  0.782004  0.692593  0.382852  1
  Al  Al343  1  0.395797  0.379745  0.365510  1
  Al  Al344  1  0.729130  0.046411  0.365510  1
  Al  Al345  1  0.725660  0.348760  0.391431  1
  Al  Al346  1  0.062464  0.713078  0.365510  1
  Al  Al347  1  0.058994  0.015427  0.391431  1
  Al  Al348  1  0.055083  0.316197  0.417003  1
  Al  Al349  1  0.392327  0.682094  0.391431  1
  Al  Al350  1  0.388416  0.982863  0.417003  1
  Al  Al351  1  0.721749  0.649530  0.417003  1
  Al  Al352  1  0.335065  0.337278  0.399631  1
  Al  Al353  1  0.668398  0.003945  0.399631  1
  Al  Al354  1  0.675657  0.401758  0.348352  1
  Al  Al355  1  1.001732  0.670612  0.399631  1
  Al  Al356  1  0.008991  0.068424  0.348352  1
  Al  Al357  1  0.005374  0.370034  0.374063  1
  Al  Al358  1  0.342324  0.735091  0.348352  1
  Al  Al359  1  0.338707  0.036701  0.374063  1
  Al  Al360  1  0.672041  0.703367  0.374063  1
  Al  Al361  1  0.271021  0.096019  0.459851  1
  Al  Al362  1  0.604355  0.762686  0.459851  1
  Al  Al363  1  0.600717  0.063959  0.485541  1
  Al  Al364  1  0.937688  0.429352  0.459851  1
  Al  Al365  1  0.934050  0.730625  0.485541  1
  Al  Al366  1  0.941352  0.128342  0.434139  1
  Al  Al367  1  0.267384  0.397292  0.485541  1
  Al  Al368  1  0.274686  0.795009  0.434139  1
  Al  Al369  1  0.608019  0.461675  0.434139  1
  Al  Al370  1  0.274732  0.294863  0.434139  1
  Al  Al371  1  0.608065  0.961529  0.434139  1
  Al  Al372  1  0.604363  0.262791  0.459881  1
  Al  Al373  1  0.941398  0.628196  0.434139  1
  Al  Al374  1  0.937697  0.929458  0.459881  1
  Al  Al375  1  0.933947  0.230699  0.485579  1
  Al  Al376  1  0.271030  0.596125  0.459881  1
  Al  Al377  1  0.267280  0.897366  0.485579  1
  Al  Al378  1  0.600614  0.564032  0.485579  1
  Al  Al379  1  0.544039  0.220011  0.494225  1
  Al  Al380  1  0.877372  0.886677  0.494225  1
  Al  Al381  1  0.884784  0.284062  0.442704  1
  Al  Al382  1  0.210706  0.553344  0.494225  1
  Al  Al383  1  0.218118  0.950729  0.442704  1
  Al  Al384  1  0.214402  0.251962  0.468416  1
  Al  Al385  1  0.551451  0.617396  0.442704  1
  Al  Al386  1  0.547735  0.918628  0.468416  1
  Al  Al387  1  0.881069  0.585295  0.468416  1
  Al  Al388  1  0.494251  0.273487  0.451242  1
  Al  Al389  1  0.827584  0.940153  0.451242  1
  Al  Al390  1  0.823937  0.241399  0.476964  1
  Al  Al391  1  0.160918  0.606820  0.451242  1
  Al  Al392  1  0.157270  0.908065  0.476964  1
  Al  Al393  1  0.164669  0.305991  0.425763  1
  Al  Al394  1  0.490603  0.574732  0.476964  1
  Al  Al395  1  0.498003  0.972658  0.425763  1
  Al  Al396  1  0.831336  0.639325  0.425763  1
  Al  Al397  1  0.441352  0.128342  0.434139  1
  Al  Al398  1  0.774686  0.795009  0.434139  1
  Al  Al399  1  0.771021  0.096019  0.459851  1
  Al  Al400  1  0.108019  0.461675  0.434139  1
  Al  Al401  1  0.104355  0.762686  0.459851  1
  Al  Al402  1  0.100717  0.063959  0.485541  1
  Al  Al403  1  0.437688  0.429352  0.459851  1
  Al  Al404  1  0.434050  0.730625  0.485541  1
  Al  Al405  1  0.767384  0.397292  0.485541  1
  Al  Al406  1  0.433947  0.230699  0.485579  1
  Al  Al407  1  0.767280  0.897366  0.485579  1
  Al  Al408  1  0.774732  0.294863  0.434139  1
  Al  Al409  1  0.100614  0.564032  0.485579  1
  Al  Al410  1  0.108065  0.961529  0.434139  1
  Al  Al411  1  0.104363  0.262791  0.459881  1
  Al  Al412  1  0.441398  0.628196  0.434139  1
  Al  Al413  1  0.437697  0.929458  0.459881  1
  Al  Al414  1  0.771030  0.596125  0.459881  1
  Al  Al415  1  0.384784  0.284062  0.442704  1
  Al  Al416  1  0.718118  0.950729  0.442704  1
  Al  Al417  1  0.714402  0.251962  0.468416  1
  Al  Al418  1  0.051451  0.617396  0.442704  1
  Al  Al419  1  0.047735  0.918628  0.468416  1
  Al  Al420  1  0.044039  0.220011  0.494225  1
  Al  Al421  1  0.381069  0.585295  0.468416  1
  Al  Al422  1  0.377372  0.886677  0.494225  1
  Al  Al423  1  0.710706  0.553344  0.494225  1
  Al  Al424  1  0.323937  0.241399  0.476964  1
  Al  Al425  1  0.657270  0.908065  0.476964  1
  Al  Al426  1  0.664669  0.305991  0.425763  1
  Al  Al427  1  0.990603  0.574732  0.476964  1
  Al  Al428  1  0.998003  0.972658  0.425763  1
  Al  Al429  1  0.994251  0.273487  0.451242  1
  Al  Al430  1  0.331336  0.639325  0.425763  1
  Al  Al431  1  0.327584  0.940153  0.451242  1
  Al  Al432  1  0.660918  0.606820  0.451242  1
  Al  Al433  1  0.259904  0.999845  0.536989  1
  Al  Al434  1  0.593237  0.666512  0.536989  1
  Al  Al435  1  0.589573  0.967522  0.562701  1
  Al  Al436  1  0.926571  0.333179  0.536989  1
  Al  Al437  1  0.922906  0.634189  0.562701  1
  Al  Al438  1  0.930208  0.031906  0.511299  1
  Al  Al439  1  0.256240  0.300856  0.562701  1
  Al  Al440  1  0.263542  0.698572  0.511299  1
  Al  Al441  1  0.596875  0.365239  0.511299  1
  Al  Al442  1  0.263645  0.198499  0.511260  1
  Al  Al443  1  0.596978  0.865165  0.511260  1
  Al  Al444  1  0.593229  0.166406  0.536959  1
  Al  Al445  1  0.930312  0.531832  0.511260  1
  Al  Al446  1  0.926562  0.833073  0.536959  1
  Al  Al447  1  0.922860  0.134335  0.562701  1
  Al  Al448  1  0.259895  0.499740  0.536959  1
  Al  Al449  1  0.256194  0.801002  0.562701  1
  Al  Al450  1  0.589527  0.467668  0.562701  1
  Al  Al451  1  0.532923  0.123206  0.571076  1
  Al  Al452  1  0.866256  0.789873  0.571076  1
  Al  Al453  1  0.873655  0.187799  0.519875  1
  Al  Al454  1  0.199589  0.456540  0.571076  1
  Al  Al455  1  0.206989  0.854466  0.519875  1
  Al  Al456  1  0.203341  0.155711  0.545597  1
  Al  Al457  1  0.540322  0.521132  0.519875  1
  Al  Al458  1  0.536674  0.822378  0.545597  1
  Al  Al459  1  0.870008  0.489044  0.545597  1
  Al  Al460  1  0.483190  0.177236  0.528424  1
  Al  Al461  1  0.816523  0.843903  0.528424  1
  Al  Al462  1  0.812808  0.145135  0.554136  1
  Al  Al463  1  0.149857  0.510569  0.528424  1
  Al  Al464  1  0.146141  0.811802  0.554136  1
  Al  Al465  1  0.153553  0.209187  0.502614  1
  Al  Al466  1  0.479474  0.478468  0.554136  1
  Al  Al467  1  0.486886  0.875854  0.502614  1
  Al  Al468  1  0.820220  0.542520  0.502614  1
  Al  Al469  1  0.430208  0.031906  0.511299  1
  Al  Al470  1  0.763542  0.698572  0.511299  1
  Al  Al471  1  0.759904  0.999845  0.536989  1
  Al  Al472  1  0.096875  0.365239  0.511299  1
  Al  Al473  1  0.093237  0.666512  0.536989  1
  Al  Al474  1  0.089573  0.967522  0.562701  1
  Al  Al475  1  0.426571  0.333179  0.536989  1
  Al  Al476  1  0.422906  0.634189  0.562701  1
  Al  Al477  1  0.756240  0.300856  0.562701  1
  Al  Al478  1  0.422860  0.134335  0.562701  1
  Al  Al479  1  0.756194  0.801002  0.562701  1
  Al  Al480  1  0.763645  0.198499  0.511260  1
  Al  Al481  1  0.089527  0.467668  0.562701  1
  Al  Al482  1  0.096978  0.865165  0.511260  1
  Al  Al483  1  0.093229  0.166406  0.536959  1
  Al  Al484  1  0.430312  0.531832  0.511260  1
  Al  Al485  1  0.426562  0.833073  0.536959  1
  Al  Al486  1  0.759895  0.499740  0.536959  1
  Al  Al487  1  0.373655  0.187799  0.519875  1
  Al  Al488  1  0.706989  0.854466  0.519875  1
  Al  Al489  1  0.703341  0.155711  0.545597  1
  Al  Al490  1  0.040322  0.521132  0.519875  1
  Al  Al491  1  0.036674  0.822378  0.545597  1
  Al  Al492  1  0.032923  0.123206  0.571076  1
  Al  Al493  1  0.370008  0.489044  0.545597  1
  Al  Al494  1  0.366256  0.789873  0.571076  1
  Al  Al495  1  0.699589  0.456540  0.571076  1
  Al  Al496  1  0.312808  0.145135  0.554136  1
  Al  Al497  1  0.646141  0.811802  0.554136  1
  Al  Al498  1  0.653553  0.209187  0.502614  1
  Al  Al499  1  0.979474  0.478468  0.554136  1
  Al  Al500  1  0.986886  0.875854  0.502614  1
  Al  Al501  1  0.983190  0.177236  0.528424  1
  Al  Al502  1  0.320220  0.542520  0.502614  1
  Al  Al503  1  0.316523  0.843903  0.528424  1
  Al  Al504  1  0.649857  0.510569  0.528424  1
  Al  Al505  1  0.248606  0.903646  0.614152  1
  Al  Al506  1  0.581939  0.570312  0.614152  1
  Al  Al507  1  0.578500  0.871723  0.640051  1
  Al  Al508  1  0.915273  0.236979  0.614152  1
  Al  Al509  1  0.911833  0.538390  0.640051  1
  Al  Al510  1  0.919316  0.935416  0.588343  1
  Al  Al511  1  0.245166  0.205056  0.640051  1
  Al  Al512  1  0.252649  0.602082  0.588343  1
  Al  Al513  1  0.585983  0.268749  0.588343  1
  Al  Al514  1  0.252511  0.102332  0.588502  1
  Al  Al515  1  0.585845  0.768998  0.588502  1
  Al  Al516  1  0.582255  0.069938  0.613987  1
  Al  Al517  1  0.919178  0.435665  0.588502  1
  Al  Al518  1  0.915588  0.736604  0.613987  1
  Al  Al519  1  0.911694  0.037991  0.639693  1
  Al  Al520  1  0.248921  0.403271  0.613987  1
  Al  Al521  1  0.245027  0.704658  0.639693  1
  Al  Al522  1  0.578360  0.371325  0.639693  1
  Al  Al523  1  0.521935  0.027440  0.648487  1
  Al  Al524  1  0.855268  0.694107  0.648487  1
  Al  Al525  1  0.862527  0.091919  0.597209  1
  Al  Al526  1  0.188601  0.360773  0.648487  1
  Al  Al527  1  0.195860  0.758586  0.597209  1
  Al  Al528  1  0.192218  0.059164  0.622776  1
  Al  Al529  1  0.529194  0.425253  0.597209  1
  Al  Al530  1  0.525551  0.725830  0.622776  1
  Al  Al531  1  0.858885  0.392497  0.622776  1
  Al  Al532  1  0.471932  0.080437  0.605408  1
  Al  Al533  1  0.805265  0.747104  0.605408  1
  Al  Al534  1  0.801795  0.049453  0.631330  1
  Al  Al535  1  0.138598  0.413771  0.605408  1
  Al  Al536  1  0.135128  0.716119  0.631330  1
  Al  Al537  1  0.142509  0.113001  0.579836  1
  Al  Al538  1  0.468462  0.382786  0.631330  1
  Al  Al539  1  0.475843  0.779668  0.579836  1
  Al  Al540  1  0.809176  0.446334  0.579836  1
  Al  Al541  1  0.419316  0.935416  0.588343  1
  Al  Al542  1  0.752649  0.602082  0.588343  1
  Al  Al543  1  0.748606  0.903646  0.614152  1
  Al  Al544  1  0.085983  0.268749  0.588343  1
  Al  Al545  1  0.081939  0.570312  0.614152  1
  Al  Al546  1  0.078500  0.871723  0.640051  1
  Al  Al547  1  0.415273  0.236979  0.614152  1
  Al  Al548  1  0.411833  0.538390  0.640051  1
  Al  Al549  1  0.745166  0.205056  0.640051  1
  Al  Al550  1  0.411694  0.037991  0.639693  1
  Al  Al551  1  0.745027  0.704658  0.639693  1
  Al  Al552  1  0.752511  0.102332  0.588502  1
  Al  Al553  1  0.078360  0.371325  0.639693  1
  Al  Al554  1  0.085845  0.768998  0.588502  1
  Al  Al555  1  0.082255  0.069938  0.613987  1
  Al  Al556  1  0.419178  0.435665  0.588502  1
  Al  Al557  1  0.415588  0.736604  0.613987  1
  Al  Al558  1  0.748921  0.403271  0.613987  1
  Al  Al559  1  0.362527  0.091919  0.597209  1
  Al  Al560  1  0.695860  0.758586  0.597209  1
  Al  Al561  1  0.692218  0.059164  0.622776  1
  Al  Al562  1  0.029194  0.425253  0.597209  1
  Al  Al563  1  0.025551  0.725830  0.622776  1
  Al  Al564  1  0.021935  0.027440  0.648487  1
  Al  Al565  1  0.358885  0.392497  0.622776  1
  Al  Al566  1  0.355268  0.694107  0.648487  1
  Al  Al567  1  0.688601  0.360773  0.648487  1
  Al  Al568  1  0.301795  0.049453  0.631330  1
  Al  Al569  1  0.635128  0.716119  0.631330  1
  Al  Al570  1  0.642509  0.113001  0.579836  1
  Al  Al571  1  0.968462  0.382786  0.631330  1
  Al  Al572  1  0.975843  0.779668  0.579836  1
  Al  Al573  1  0.971932  0.080437  0.605408  1
  Al  Al574  1  0.309176  0.446334  0.579836  1
  Al  Al575  1  0.305265  0.747104  0.605408  1
  Al  Al576  1  0.638598  0.413771  0.605408  1
  Al  Al577  1  0.238472  0.807076  0.691586  1
  Al  Al578  1  0.571805  0.473743  0.691586  1
  Al  Al579  1  0.567086  0.776190  0.715160  1
  Al  Al580  1  0.905138  0.140410  0.691586  1
  Al  Al581  1  0.900419  0.442856  0.715160  1
  Al  Al582  1  0.907784  0.838496  0.664917  1
  Al  Al583  1  0.233752  0.109523  0.715160  1
  Al  Al584  1  0.241117  0.505162  0.664917  1
  Al  Al585  1  0.574451  0.171829  0.664917  1
  Al  Al586  1  0.241353  0.006374  0.665535  1
  Al  Al587  1  0.574686  0.673041  0.665535  1
  Al  Al588  1  0.571340  0.973472  0.692147  1
  Al  Al589  1  0.908020  0.339707  0.665535  1
  Al  Al590  1  0.904673  0.640139  0.692147  1
  Al  Al591  1  0.900066  0.941464  0.715071  1
  Al  Al592  1  0.238006  0.306806  0.692147  1
  Al  Al593  1  0.233399  0.608131  0.715071  1
  Al  Al594  1  0.566732  0.274798  0.715071  1
  Al  Al595  1  0.509552  0.932686  0.722726  1
  Al  Al596  1  0.842886  0.599353  0.722726  1
  Al  Al597  1  0.851565  0.993765  0.672757  1
  Al  Al598  1  0.176219  0.266020  0.722726  1
  Al  Al599  1  0.184898  0.660432  0.672757  1
  Al  Al600  1  0.180531  0.964361  0.700396  1
  Al  Al601  1  0.518231  0.327099  0.672757  1
  Al  Al602  1  0.513864  0.631028  0.700396  1
  Al  Al603  1  0.847197  0.297695  0.700396  1
  Al  Al604  1  0.460715  0.986200  0.682284  1
  Al  Al605  1  0.794048  0.652866  0.682284  1
  Al  Al606  1  0.790116  0.949943  0.707607  1
  Al  Al607  1  0.127382  0.319533  0.682284  1
  Al  Al608  1  0.123449  0.616609  0.707607  1
  Al  Al609  1  0.131321  0.016173  0.656909  1
  Al  Al610  1  0.456782  0.283276  0.707607  1
  Al  Al611  1  0.464655  0.682840  0.656909  1
  Al  Al612  1  0.797988  0.349507  0.656909  1
  Al  Al613  1  0.407784  0.838496  0.664917  1
  Al  Al614  1  0.741117  0.505162  0.664917  1
  Al  Al615  1  0.738472  0.807076  0.691586  1
  Al  Al616  1  0.074451  0.171829  0.664917  1
  Al  Al617  1  0.071805  0.473743  0.691586  1
  Al  Al618  1  0.067086  0.776190  0.715160  1
  Al  Al619  1  0.405138  0.140410  0.691586  1
  Al  Al620  1  0.400419  0.442856  0.715160  1
  Al  Al621  1  0.733752  0.109523  0.715160  1
  Al  Al622  1  0.400066  0.941464  0.715071  1
  Al  Al623  1  0.733399  0.608131  0.715071  1
  Al  Al624  1  0.741353  0.006374  0.665535  1
  Al  Al625  1  0.066732  0.274798  0.715071  1
  Al  Al626  1  0.074686  0.673041  0.665535  1
  Al  Al627  1  0.071340  0.973472  0.692147  1
  Al  Al628  1  0.408020  0.339707  0.665535  1
  Al  Al629  1  0.404673  0.640139  0.692147  1
  Al  Al630  1  0.738006  0.306806  0.692147  1
  Al  Al631  1  0.351565  0.993765  0.672757  1
  Al  Al632  1  0.684898  0.660432  0.672757  1
  Al  Al633  1  0.680531  0.964361  0.700396  1
  Al  Al634  1  0.018231  0.327099  0.672757  1
  Al  Al635  1  0.013864  0.631028  0.700396  1
  Al  Al636  1  0.009552  0.932686  0.722726  1
  Al  Al637  1  0.347197  0.297695  0.700396  1
  Al  Al638  1  0.342886  0.599353  0.722726  1
  Al  Al639  1  0.676219  0.266020  0.722726  1
  Al  Al640  1  0.290116  0.949943  0.707607  1
  Al  Al641  1  0.623449  0.616609  0.707607  1
  Al  Al642  1  0.631321  0.016173  0.656909  1
  Al  Al643  1  0.956782  0.283276  0.707607  1
  Al  Al644  1  0.964655  0.682840  0.656909  1
  Al  Al645  1  0.960715  0.986200  0.682284  1
  Al  Al646  1  0.297988  0.349507  0.656909  1
  Al  Al647  1  0.294048  0.652866  0.682284  1
  Al  Al648  1  0.627382  0.319533  0.682284  1
