# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.54290355
_cell_length_b   14.32194818
_cell_length_c   49.82776110
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti168 Al336'
_cell_volume   16800.9366782
_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  0.169201  0.682453  0.282929  1
  Ti  Ti2  1  0.170348  0.297142  0.304049  1
  Ti  Ti3  1  0.170048  0.912829  0.326540  1
  Ti  Ti4  1  0.420731  0.414159  0.326108  1
  Ti  Ti5  1  0.418958  0.186933  0.282533  1
  Ti  Ti6  1  0.419749  0.799532  0.303902  1
  Ti  Ti7  1  0.338789  0.686933  0.282533  1
  Ti  Ti8  1  0.337999  0.299532  0.303902  1
  Ti  Ti9  1  0.337017  0.914159  0.326108  1
  Ti  Ti10  1  0.087688  0.604386  0.314786  1
  Ti  Ti11  1  0.089470  0.368973  0.272787  1
  Ti  Ti12  1  0.087278  0.988997  0.293362  1
  Ti  Ti13  1  0.670469  0.488997  0.293362  1
  Ti  Ti14  1  0.670059  0.104386  0.314786  1
  Ti  Ti15  1  0.668277  0.868973  0.272787  1
  Ti  Ti16  1  0.921579  0.604577  0.314286  1
  Ti  Ti17  1  0.918632  0.378891  0.272450  1
  Ti  Ti18  1  0.918752  0.992476  0.292587  1
  Ti  Ti19  1  0.838995  0.492476  0.292587  1
  Ti  Ti20  1  0.836168  0.104577  0.314286  1
  Ti  Ti21  1  0.839115  0.878891  0.272450  1
  Ti  Ti22  1  0.587700  0.412829  0.326540  1
  Ti  Ti23  1  0.588547  0.182453  0.282929  1
  Ti  Ti24  1  0.587399  0.797142  0.304049  1
  Ti  Ti25  1  0.170678  0.528385  0.348072  1
  Ti  Ti26  1  0.170349  0.143547  0.370474  1
  Ti  Ti27  1  0.170464  0.758903  0.393187  1
  Ti  Ti28  1  0.420353  0.258954  0.393166  1
  Ti  Ti29  1  0.419837  0.028941  0.347881  1
  Ti  Ti30  1  0.420366  0.643635  0.370537  1
  Ti  Ti31  1  0.337910  0.528941  0.347881  1
  Ti  Ti32  1  0.337381  0.143635  0.370537  1
  Ti  Ti33  1  0.337394  0.758954  0.393166  1
  Ti  Ti34  1  0.087330  0.451199  0.382075  1
  Ti  Ti35  1  0.087344  0.219813  0.336866  1
  Ti  Ti36  1  0.087098  0.836222  0.359685  1
  Ti  Ti37  1  0.670649  0.336222  0.359685  1
  Ti  Ti38  1  0.670418  0.951199  0.382075  1
  Ti  Ti39  1  0.670403  0.719813  0.336866  1
  Ti  Ti40  1  0.920613  0.451037  0.382185  1
  Ti  Ti41  1  0.919708  0.220418  0.336945  1
  Ti  Ti42  1  0.920193  0.835698  0.359666  1
  Ti  Ti43  1  0.837554  0.335698  0.359666  1
  Ti  Ti44  1  0.837135  0.951037  0.382185  1
  Ti  Ti45  1  0.838040  0.720418  0.336945  1
  Ti  Ti46  1  0.587283  0.258903  0.393187  1
  Ti  Ti47  1  0.587069  0.028385  0.348072  1
  Ti  Ti48  1  0.587398  0.643547  0.370474  1
  Ti  Ti49  1  0.170490  0.374016  0.415174  1
  Ti  Ti50  1  0.170319  0.989256  0.437585  1
  Ti  Ti51  1  0.170402  0.604254  0.459740  1
  Ti  Ti52  1  0.420271  0.104283  0.459718  1
  Ti  Ti53  1  0.420380  0.873973  0.415246  1
  Ti  Ti54  1  0.420297  0.489224  0.437502  1
  Ti  Ti55  1  0.337367  0.373973  0.415246  1
  Ti  Ti56  1  0.337451  0.989224  0.437502  1
  Ti  Ti57  1  0.337476  0.604283  0.459718  1
  Ti  Ti58  1  0.087461  0.296484  0.448583  1
  Ti  Ti59  1  0.087169  0.066505  0.404135  1
  Ti  Ti60  1  0.087491  0.681455  0.426388  1
  Ti  Ti61  1  0.670256  0.181455  0.426388  1
  Ti  Ti62  1  0.670287  0.796484  0.448583  1
  Ti  Ti63  1  0.670578  0.566505  0.404135  1
  Ti  Ti64  1  0.920310  0.296567  0.448626  1
  Ti  Ti65  1  0.920207  0.066341  0.404134  1
  Ti  Ti66  1  0.920273  0.681396  0.426314  1
  Ti  Ti67  1  0.837474  0.181396  0.426314  1
  Ti  Ti68  1  0.837437  0.796567  0.448626  1
  Ti  Ti69  1  0.837541  0.566341  0.404134  1
  Ti  Ti70  1  0.587345  0.104254  0.459740  1
  Ti  Ti71  1  0.587257  0.874016  0.415174  1
  Ti  Ti72  1  0.587428  0.489256  0.437585  1
  Ti  Ti73  1  0.170392  0.219358  0.482013  1
  Ti  Ti74  1  0.170393  0.834607  0.504348  1
  Ti  Ti75  1  0.170447  0.449742  0.526553  1
  Ti  Ti76  1  0.420361  0.949814  0.526570  1
  Ti  Ti77  1  0.420362  0.719421  0.482025  1
  Ti  Ti78  1  0.420357  0.334643  0.504311  1
  Ti  Ti79  1  0.337385  0.219421  0.482025  1
  Ti  Ti80  1  0.337390  0.834643  0.504311  1
  Ti  Ti81  1  0.337386  0.449814  0.526570  1
  Ti  Ti82  1  0.087355  0.142220  0.515524  1
  Ti  Ti83  1  0.087300  0.911836  0.470985  1
  Ti  Ti84  1  0.087354  0.526971  0.493189  1
  Ti  Ti85  1  0.670393  0.026971  0.493189  1
  Ti  Ti86  1  0.670392  0.642220  0.515524  1
  Ti  Ti87  1  0.670447  0.411836  0.470985  1
  Ti  Ti88  1  0.920362  0.142157  0.515512  1
  Ti  Ti89  1  0.920361  0.911764  0.470967  1
  Ti  Ti90  1  0.920357  0.526935  0.493227  1
  Ti  Ti91  1  0.837390  0.026935  0.493227  1
  Ti  Ti92  1  0.837385  0.642157  0.515512  1
  Ti  Ti93  1  0.837386  0.411764  0.470967  1
  Ti  Ti94  1  0.587300  0.949742  0.526553  1
  Ti  Ti95  1  0.587355  0.719358  0.482013  1
  Ti  Ti96  1  0.587354  0.334607  0.504348  1
  Ti  Ti97  1  0.170287  0.065094  0.548955  1
  Ti  Ti98  1  0.170256  0.680123  0.571149  1
  Ti  Ti99  1  0.170578  0.295073  0.593402  1
  Ti  Ti100  1  0.420207  0.795237  0.593404  1
  Ti  Ti101  1  0.420310  0.565011  0.548911  1
  Ti  Ti102  1  0.420273  0.180182  0.571223  1
  Ti  Ti103  1  0.337437  0.065011  0.548911  1
  Ti  Ti104  1  0.337474  0.680182  0.571223  1
  Ti  Ti105  1  0.337541  0.295237  0.593404  1
  Ti  Ti106  1  0.087257  0.987562  0.582364  1
  Ti  Ti107  1  0.087345  0.757324  0.537798  1
  Ti  Ti108  1  0.087428  0.372322  0.559952  1
  Ti  Ti109  1  0.670319  0.872322  0.559952  1
  Ti  Ti110  1  0.670490  0.487562  0.582364  1
  Ti  Ti111  1  0.670402  0.257324  0.537798  1
  Ti  Ti112  1  0.920380  0.987605  0.582291  1
  Ti  Ti113  1  0.920271  0.757295  0.537820  1
  Ti  Ti114  1  0.920297  0.372354  0.560035  1
  Ti  Ti115  1  0.837451  0.872354  0.560035  1
  Ti  Ti116  1  0.837367  0.487605  0.582291  1
  Ti  Ti117  1  0.837476  0.257295  0.537820  1
  Ti  Ti118  1  0.587169  0.795073  0.593402  1
  Ti  Ti119  1  0.587461  0.565094  0.548955  1
  Ti  Ti120  1  0.587491  0.180123  0.571149  1
  Ti  Ti121  1  0.170418  0.910379  0.615463  1
  Ti  Ti122  1  0.170649  0.525356  0.637852  1
  Ti  Ti123  1  0.170403  0.141765  0.660671  1
  Ti  Ti124  1  0.419708  0.641160  0.660593  1
  Ti  Ti125  1  0.420613  0.410541  0.615352  1
  Ti  Ti126  1  0.420193  0.025880  0.637872  1
  Ti  Ti127  1  0.337135  0.910541  0.615352  1
  Ti  Ti128  1  0.337554  0.525880  0.637872  1
  Ti  Ti129  1  0.338040  0.141160  0.660593  1
  Ti  Ti130  1  0.087069  0.833193  0.649465  1
  Ti  Ti131  1  0.087283  0.602675  0.604350  1
  Ti  Ti132  1  0.087398  0.218031  0.627063  1
  Ti  Ti133  1  0.670349  0.718031  0.627063  1
  Ti  Ti134  1  0.670678  0.333193  0.649465  1
  Ti  Ti135  1  0.670464  0.102675  0.604350  1
  Ti  Ti136  1  0.919837  0.832637  0.649656  1
  Ti  Ti137  1  0.920353  0.602624  0.604371  1
  Ti  Ti138  1  0.920366  0.217943  0.627000  1
  Ti  Ti139  1  0.837381  0.717943  0.627000  1
  Ti  Ti140  1  0.837910  0.332637  0.649656  1
  Ti  Ti141  1  0.837394  0.102624  0.604371  1
  Ti  Ti142  1  0.587344  0.641765  0.660671  1
  Ti  Ti143  1  0.587330  0.410379  0.615463  1
  Ti  Ti144  1  0.587098  0.025356  0.637852  1
  Ti  Ti145  1  0.170059  0.757192  0.682751  1
  Ti  Ti146  1  0.170469  0.372581  0.704175  1
  Ti  Ti147  1  0.168277  0.992605  0.724751  1
  Ti  Ti148  1  0.418632  0.482687  0.725087  1
  Ti  Ti149  1  0.421579  0.257001  0.683251  1
  Ti  Ti150  1  0.418752  0.869102  0.704950  1
  Ti  Ti151  1  0.336168  0.757001  0.683251  1
  Ti  Ti152  1  0.338995  0.369102  0.704950  1
  Ti  Ti153  1  0.339115  0.982687  0.725087  1
  Ti  Ti154  1  0.088547  0.679125  0.714608  1
  Ti  Ti155  1  0.087700  0.448749  0.670997  1
  Ti  Ti156  1  0.087399  0.064436  0.693488  1
  Ti  Ti157  1  0.670348  0.564436  0.693488  1
  Ti  Ti158  1  0.669201  0.179125  0.714608  1
  Ti  Ti159  1  0.670048  0.948749  0.670997  1
  Ti  Ti160  1  0.918958  0.674645  0.715005  1
  Ti  Ti161  1  0.920731  0.447419  0.671429  1
  Ti  Ti162  1  0.919749  0.062046  0.693635  1
  Ti  Ti163  1  0.837999  0.562046  0.693635  1
  Ti  Ti164  1  0.838789  0.174645  0.715005  1
  Ti  Ti165  1  0.837017  0.947419  0.671429  1
  Ti  Ti166  1  0.589470  0.492605  0.724751  1
  Ti  Ti167  1  0.587688  0.257192  0.682751  1
  Ti  Ti168  1  0.587278  0.872581  0.704175  1
  Al  Al169  1  0.421719  0.606148  0.314872  1
  Al  Al170  1  0.421443  0.376033  0.272675  1
  Al  Al171  1  0.419645  0.992430  0.292542  1
  Al  Al172  1  0.254272  0.605126  0.314571  1
  Al  Al173  1  0.253612  0.373165  0.273171  1
  Al  Al174  1  0.252566  0.989825  0.293314  1
  Al  Al175  1  0.254474  0.413385  0.326408  1
  Al  Al176  1  0.254964  0.184872  0.283386  1
  Al  Al177  1  0.253726  0.798088  0.304156  1
  Al  Al178  1  0.338102  0.492430  0.292542  1
  Al  Al179  1  0.336028  0.106148  0.314872  1
  Al  Al180  1  0.336305  0.876033  0.272675  1
  Al  Al181  1  0.171233  0.490209  0.292579  1
  Al  Al182  1  0.171555  0.104688  0.314908  1
  Al  Al183  1  0.169461  0.872523  0.273213  1
  Al  Al184  1  0.505181  0.489825  0.293314  1
  Al  Al185  1  0.503475  0.105126  0.314571  1
  Al  Al186  1  0.504135  0.873165  0.273171  1
  Al  Al187  1  0.502783  0.684872  0.283386  1
  Al  Al188  1  0.504021  0.298088  0.304156  1
  Al  Al189  1  0.503273  0.913385  0.326408  1
  Al  Al190  1  0.086423  0.412817  0.326946  1
  Al  Al191  1  0.088627  0.179026  0.282498  1
  Al  Al192  1  0.085713  0.797320  0.304520  1
  Al  Al193  1  0.921485  0.413875  0.327008  1
  Al  Al194  1  0.918484  0.184858  0.282307  1
  Al  Al195  1  0.922074  0.797863  0.304335  1
  Al  Al196  1  0.754478  0.415021  0.326790  1
  Al  Al197  1  0.752420  0.182827  0.283141  1
  Al  Al198  1  0.754424  0.795892  0.303795  1
  Al  Al199  1  0.754718  0.605775  0.314317  1
  Al  Al200  1  0.755199  0.377585  0.273450  1
  Al  Al201  1  0.752569  0.991285  0.291604  1
  Al  Al202  1  0.839263  0.684858  0.282307  1
  Al  Al203  1  0.835674  0.297863  0.304335  1
  Al  Al204  1  0.836262  0.913875  0.327008  1
  Al  Al205  1  0.669120  0.679026  0.282498  1
  Al  Al206  1  0.672034  0.297320  0.304520  1
  Al  Al207  1  0.671324  0.912817  0.326946  1
  Al  Al208  1  0.005327  0.682827  0.283141  1
  Al  Al209  1  1.003324  0.295892  0.303795  1
  Al  Al210  1  1.003269  0.915021  0.326790  1
  Al  Al211  1  0.005178  0.491285  0.291604  1
  Al  Al212  1  1.003030  0.105775  0.314317  1
  Al  Al213  1  1.002549  0.877585  0.273450  1
  Al  Al214  1  0.586192  0.604688  0.314908  1
  Al  Al215  1  0.588286  0.372523  0.273213  1
  Al  Al216  1  0.586514  0.990209  0.292579  1
  Al  Al217  1  0.420761  0.451429  0.381806  1
  Al  Al218  1  0.420957  0.222021  0.337762  1
  Al  Al219  1  0.420517  0.836595  0.359558  1
  Al  Al220  1  0.253852  0.451504  0.381660  1
  Al  Al221  1  0.253863  0.221814  0.337534  1
  Al  Al222  1  0.253633  0.836346  0.359707  1
  Al  Al223  1  0.254230  0.258810  0.392915  1
  Al  Al224  1  0.254047  0.028524  0.348431  1
  Al  Al225  1  0.254425  0.643483  0.370581  1
  Al  Al226  1  0.337230  0.336595  0.359558  1
  Al  Al227  1  0.336986  0.951429  0.381806  1
  Al  Al228  1  0.336791  0.722021  0.337762  1
  Al  Al229  1  0.170732  0.335971  0.359540  1
  Al  Al230  1  0.170873  0.951313  0.382002  1
  Al  Al231  1  0.170896  0.720763  0.337913  1
  Al  Al232  1  0.504114  0.336346  0.359707  1
  Al  Al233  1  0.503895  0.951504  0.381660  1
  Al  Al234  1  0.503885  0.721814  0.337534  1
  Al  Al235  1  0.503700  0.528524  0.348431  1
  Al  Al236  1  0.503323  0.143483  0.370581  1
  Al  Al237  1  0.503517  0.758810  0.392915  1
  Al  Al238  1  0.086774  0.258568  0.392780  1
  Al  Al239  1  0.086474  0.028436  0.348639  1
  Al  Al240  1  0.087043  0.643360  0.370626  1
  Al  Al241  1  0.920930  0.258355  0.392858  1
  Al  Al242  1  0.919997  0.028667  0.348422  1
  Al  Al243  1  0.920993  0.643028  0.370447  1
  Al  Al244  1  0.753594  0.258595  0.393053  1
  Al  Al245  1  0.753370  0.028185  0.348457  1
  Al  Al246  1  0.753874  0.643256  0.370395  1
  Al  Al247  1  0.754505  0.451207  0.381979  1
  Al  Al248  1  0.754047  0.220121  0.337656  1
  Al  Al249  1  0.754241  0.835040  0.359553  1
  Al  Al250  1  0.837750  0.528667  0.348422  1
  Al  Al251  1  0.836755  0.143028  0.370447  1
  Al  Al252  1  0.836817  0.758355  0.392858  1
  Al  Al253  1  0.671274  0.528436  0.348639  1
  Al  Al254  1  0.670704  0.143360  0.370626  1
  Al  Al255  1  0.670973  0.758568  0.392780  1
  Al  Al256  1  0.004378  0.528185  0.348457  1
  Al  Al257  1  1.003873  0.143256  0.370395  1
  Al  Al258  1  0.004153  0.758595  0.393053  1
  Al  Al259  1  1.003506  0.335040  0.359553  1
  Al  Al260  1  1.003243  0.951207  0.381979  1
  Al  Al261  1  1.003700  0.720121  0.337656  1
  Al  Al262  1  0.586874  0.451313  0.382002  1
  Al  Al263  1  0.586851  0.220763  0.337913  1
  Al  Al264  1  0.587015  0.835971  0.359540  1
  Al  Al265  1  0.420849  0.296819  0.448705  1
  Al  Al266  1  0.420778  0.066268  0.403902  1
  Al  Al267  1  0.420971  0.681483  0.426313  1
  Al  Al268  1  0.253558  0.296670  0.448619  1
  Al  Al269  1  0.253535  0.066470  0.404059  1
  Al  Al270  1  0.253639  0.681409  0.426398  1
  Al  Al271  1  0.254221  0.104281  0.459773  1
  Al  Al272  1  0.254226  0.874206  0.415326  1
  Al  Al273  1  0.254258  0.489194  0.437451  1
  Al  Al274  1  0.336776  0.181483  0.426313  1
  Al  Al275  1  0.336898  0.796819  0.448705  1
  Al  Al276  1  0.336969  0.566268  0.403902  1
  Al  Al277  1  0.171011  0.181505  0.426257  1
  Al  Al278  1  0.171012  0.796784  0.448744  1
  Al  Al279  1  0.171166  0.566352  0.403964  1
  Al  Al280  1  0.504108  0.181409  0.426398  1
  Al  Al281  1  0.504189  0.796670  0.448619  1
  Al  Al282  1  0.504212  0.566470  0.404059  1
  Al  Al283  1  0.503521  0.374206  0.415326  1
  Al  Al284  1  0.503489  0.989194  0.437451  1
  Al  Al285  1  0.503526  0.604281  0.459773  1
  Al  Al286  1  0.086675  0.104251  0.459826  1
  Al  Al287  1  0.086663  0.874015  0.415335  1
  Al  Al288  1  0.086806  0.489024  0.437589  1
  Al  Al289  1  0.920851  0.104228  0.459823  1
  Al  Al290  1  0.920897  0.873840  0.415312  1
  Al  Al291  1  0.920917  0.489119  0.437652  1
  Al  Al292  1  0.753591  0.104304  0.459795  1
  Al  Al293  1  0.753484  0.873586  0.415323  1
  Al  Al294  1  0.753655  0.489150  0.437574  1
  Al  Al295  1  0.754231  0.296504  0.448689  1
  Al  Al296  1  0.754116  0.066529  0.404168  1
  Al  Al297  1  0.754289  0.681518  0.426326  1
  Al  Al298  1  0.836851  0.373840  0.415312  1
  Al  Al299  1  0.836830  0.989119  0.437652  1
  Al  Al300  1  0.836896  0.604228  0.459823  1
  Al  Al301  1  0.671084  0.374015  0.415335  1
  Al  Al302  1  0.670941  0.989024  0.437589  1
  Al  Al303  1  0.671073  0.604251  0.459826  1
  Al  Al304  1  0.004263  0.373586  0.415323  1
  Al  Al305  1  0.004092  0.989150  0.437574  1
  Al  Al306  1  0.004157  0.604304  0.459795  1
  Al  Al307  1  1.003459  0.181518  0.426326  1
  Al  Al308  1  1.003516  0.796504  0.448689  1
  Al  Al309  1  1.003631  0.566529  0.404168  1
  Al  Al310  1  0.586735  0.296784  0.448744  1
  Al  Al311  1  0.586582  0.066352  0.403964  1
  Al  Al312  1  0.586736  0.681505  0.426257  1
  Al  Al313  1  0.420835  0.142238  0.515463  1
  Al  Al314  1  0.420886  0.911889  0.470908  1
  Al  Al315  1  0.420861  0.527084  0.493201  1
  Al  Al316  1  0.253566  0.142180  0.515486  1
  Al  Al317  1  0.253589  0.911994  0.470945  1
  Al  Al318  1  0.253617  0.527080  0.493148  1
  Al  Al319  1  0.254186  0.949908  0.526606  1
  Al  Al320  1  0.254242  0.719390  0.482057  1
  Al  Al321  1  0.254232  0.334571  0.504289  1
  Al  Al322  1  0.336887  0.027084  0.493201  1
  Al  Al323  1  0.336912  0.642238  0.515463  1
  Al  Al324  1  0.336862  0.411889  0.470908  1
  Al  Al325  1  0.170953  0.027046  0.493257  1
  Al  Al326  1  0.170979  0.642187  0.515450  1
  Al  Al327  1  0.171019  0.411820  0.470878  1
  Al  Al328  1  0.504130  0.027080  0.493148  1
  Al  Al329  1  0.504181  0.642180  0.515486  1
  Al  Al330  1  0.504158  0.411994  0.470945  1
  Al  Al331  1  0.503506  0.219390  0.482057  1
  Al  Al332  1  0.503515  0.834571  0.504289  1
  Al  Al333  1  0.503561  0.449908  0.526606  1
  Al  Al334  1  0.086728  0.949758  0.526659  1
  Al  Al335  1  0.086768  0.719391  0.482088  1
  Al  Al336  1  0.086794  0.334532  0.504281  1
  Al  Al337  1  0.920886  0.949689  0.526629  1
  Al  Al338  1  0.920835  0.719340  0.482074  1
  Al  Al339  1  0.920861  0.334494  0.504336  1
  Al  Al340  1  0.753589  0.949584  0.526592  1
  Al  Al341  1  0.753566  0.719398  0.482052  1
  Al  Al342  1  0.753617  0.334498  0.504390  1
  Al  Al343  1  0.754242  0.142188  0.515481  1
  Al  Al344  1  0.754186  0.911670  0.470931  1
  Al  Al345  1  0.754232  0.527007  0.493248  1
  Al  Al346  1  0.836912  0.219340  0.482074  1
  Al  Al347  1  0.836887  0.834494  0.504336  1
  Al  Al348  1  0.836862  0.449689  0.526629  1
  Al  Al349  1  0.670979  0.219391  0.482088  1
  Al  Al350  1  0.670953  0.834532  0.504281  1
  Al  Al351  1  0.671019  0.449758  0.526659  1
  Al  Al352  1  0.004181  0.219398  0.482052  1
  Al  Al353  1  0.004130  0.834498  0.504390  1
  Al  Al354  1  0.004158  0.449584  0.526592  1
  Al  Al355  1  1.003515  0.027007  0.493248  1
  Al  Al356  1  1.003506  0.642188  0.515481  1
  Al  Al357  1  1.003561  0.411670  0.470931  1
  Al  Al358  1  0.586768  0.142187  0.515450  1
  Al  Al359  1  0.586728  0.911820  0.470878  1
  Al  Al360  1  0.586794  0.527046  0.493257  1
  Al  Al361  1  0.420897  0.987737  0.582225  1
  Al  Al362  1  0.420851  0.757350  0.537714  1
  Al  Al363  1  0.420917  0.372459  0.559886  1
  Al  Al364  1  0.253484  0.987992  0.582214  1
  Al  Al365  1  0.253591  0.757274  0.537742  1
  Al  Al366  1  0.253655  0.372428  0.559963  1
  Al  Al367  1  0.254116  0.795049  0.593369  1
  Al  Al368  1  0.254231  0.565074  0.548848  1
  Al  Al369  1  0.254289  0.180060  0.571211  1
  Al  Al370  1  0.336830  0.872459  0.559886  1
  Al  Al371  1  0.336851  0.487737  0.582225  1
  Al  Al372  1  0.336896  0.257350  0.537714  1
  Al  Al373  1  0.170941  0.872554  0.559948  1
  Al  Al374  1  0.171084  0.487563  0.582203  1
  Al  Al375  1  0.171073  0.257326  0.537711  1
  Al  Al376  1  0.504092  0.872428  0.559963  1
  Al  Al377  1  0.504263  0.487992  0.582214  1
  Al  Al378  1  0.504157  0.257274  0.537742  1
  Al  Al379  1  0.503516  0.065074  0.548848  1
  Al  Al380  1  0.503459  0.680060  0.571211  1
  Al  Al381  1  0.503631  0.295049  0.593369  1
  Al  Al382  1  0.086582  0.795226  0.593574  1
  Al  Al383  1  0.086735  0.564794  0.548794  1
  Al  Al384  1  0.086736  0.180073  0.571281  1
  Al  Al385  1  0.920778  0.795309  0.593635  1
  Al  Al386  1  0.920849  0.564758  0.548832  1
  Al  Al387  1  0.920971  0.180095  0.571224  1
  Al  Al388  1  0.753535  0.795108  0.593479  1
  Al  Al389  1  0.753558  0.564908  0.548919  1
  Al  Al390  1  0.753639  0.180169  0.571140  1
  Al  Al391  1  0.754226  0.987372  0.582211  1
  Al  Al392  1  0.754221  0.757297  0.537764  1
  Al  Al393  1  0.754258  0.372384  0.560086  1
  Al  Al394  1  0.836898  0.064758  0.548832  1
  Al  Al395  1  0.836776  0.680095  0.571224  1
  Al  Al396  1  0.836969  0.295309  0.593635  1
  Al  Al397  1  0.671012  0.064794  0.548794  1
  Al  Al398  1  0.671011  0.680073  0.571281  1
  Al  Al399  1  0.671166  0.295226  0.593574  1
  Al  Al400  1  0.004189  0.064908  0.548919  1
  Al  Al401  1  0.004108  0.680169  0.571140  1
  Al  Al402  1  0.004212  0.295108  0.593479  1
  Al  Al403  1  1.003489  0.872384  0.560086  1
  Al  Al404  1  1.003521  0.487372  0.582211  1
  Al  Al405  1  1.003526  0.257297  0.537764  1
  Al  Al406  1  0.586663  0.987563  0.582203  1
  Al  Al407  1  0.586675  0.757326  0.537711  1
  Al  Al408  1  0.586806  0.372554  0.559948  1
  Al  Al409  1  0.419997  0.832911  0.649115  1
  Al  Al410  1  0.420930  0.603223  0.604679  1
  Al  Al411  1  0.420993  0.218550  0.627091  1
  Al  Al412  1  0.253370  0.833393  0.649080  1
  Al  Al413  1  0.253594  0.602983  0.604484  1
  Al  Al414  1  0.253874  0.218322  0.627142  1
  Al  Al415  1  0.254047  0.641457  0.659881  1
  Al  Al416  1  0.254505  0.410371  0.615559  1
  Al  Al417  1  0.254241  0.026538  0.637985  1
  Al  Al418  1  0.336755  0.718550  0.627091  1
  Al  Al419  1  0.337750  0.332911  0.649115  1
  Al  Al420  1  0.336817  0.103223  0.604679  1
  Al  Al421  1  0.170704  0.718218  0.626911  1
  Al  Al422  1  0.171274  0.333142  0.648898  1
  Al  Al423  1  0.170973  0.103010  0.604757  1
  Al  Al424  1  0.503873  0.718322  0.627142  1
  Al  Al425  1  0.504378  0.333393  0.649080  1
  Al  Al426  1  0.504153  0.102983  0.604484  1
  Al  Al427  1  0.503243  0.910371  0.615559  1
  Al  Al428  1  0.503506  0.526538  0.637985  1
  Al  Al429  1  0.503700  0.141457  0.659881  1
  Al  Al430  1  0.086851  0.640815  0.659625  1
  Al  Al431  1  0.086874  0.410265  0.615535  1
  Al  Al432  1  0.087015  0.025607  0.637997  1
  Al  Al433  1  0.920957  0.639557  0.659775  1
  Al  Al434  1  0.920761  0.410149  0.615731  1
  Al  Al435  1  0.920517  0.024983  0.637979  1
  Al  Al436  1  0.753863  0.639764  0.660004  1
  Al  Al437  1  0.753852  0.410074  0.615878  1
  Al  Al438  1  0.753633  0.025232  0.637830  1
  Al  Al439  1  0.754047  0.833054  0.649106  1
  Al  Al440  1  0.754230  0.602768  0.604622  1
  Al  Al441  1  0.754425  0.218094  0.626956  1
  Al  Al442  1  0.836986  0.910149  0.615731  1
  Al  Al443  1  0.837230  0.524983  0.637979  1
  Al  Al444  1  0.836791  0.139557  0.659775  1
  Al  Al445  1  0.670873  0.910265  0.615535  1
  Al  Al446  1  0.670732  0.525607  0.637997  1
  Al  Al447  1  0.670896  0.140815  0.659625  1
  Al  Al448  1  0.003895  0.910074  0.615878  1
  Al  Al449  1  0.004114  0.525232  0.637830  1
  Al  Al450  1  0.003885  0.139764  0.660004  1
  Al  Al451  1  1.003323  0.718094  0.626956  1
  Al  Al452  1  1.003700  0.333054  0.649106  1
  Al  Al453  1  1.003517  0.102768  0.604622  1
  Al  Al454  1  0.586474  0.833142  0.648898  1
  Al  Al455  1  0.586774  0.603010  0.604757  1
  Al  Al456  1  0.587043  0.218218  0.626911  1
  Al  Al457  1  0.418484  0.676719  0.715230  1
  Al  Al458  1  0.421485  0.447703  0.670529  1
  Al  Al459  1  0.422074  0.063715  0.693202  1
  Al  Al460  1  0.252420  0.678751  0.714396  1
  Al  Al461  1  0.254478  0.446557  0.670748  1
  Al  Al462  1  0.254424  0.065686  0.693742  1
  Al  Al463  1  0.255199  0.483993  0.724087  1
  Al  Al464  1  0.254718  0.255803  0.683220  1
  Al  Al465  1  0.252569  0.870293  0.705933  1
  Al  Al466  1  0.335674  0.563715  0.693202  1
  Al  Al467  1  0.339263  0.176719  0.715230  1
  Al  Al468  1  0.336262  0.947703  0.670529  1
  Al  Al469  1  0.172034  0.564258  0.693017  1
  Al  Al470  1  0.169120  0.182552  0.715039  1
  Al  Al471  1  0.171324  0.948761  0.670592  1
  Al  Al472  1  0.503324  0.565686  0.693742  1
  Al  Al473  1  0.505327  0.178751  0.714396  1
  Al  Al474  1  0.503269  0.946557  0.670748  1
  Al  Al475  1  0.503030  0.755803  0.683220  1
  Al  Al476  1  0.505178  0.370293  0.705933  1
  Al  Al477  1  0.502549  0.983993  0.724087  1
  Al  Al478  1  0.088286  0.489055  0.724324  1
  Al  Al479  1  0.086192  0.256890  0.682629  1
  Al  Al480  1  0.086514  0.871369  0.704958  1
  Al  Al481  1  0.921443  0.485545  0.724862  1
  Al  Al482  1  0.921719  0.255430  0.682665  1
  Al  Al483  1  0.919645  0.869148  0.704996  1
  Al  Al484  1  0.753612  0.488413  0.724366  1
  Al  Al485  1  0.754272  0.256452  0.682966  1
  Al  Al486  1  0.752566  0.871753  0.704224  1
  Al  Al487  1  0.754964  0.676706  0.714151  1
  Al  Al488  1  0.754474  0.448193  0.671129  1
  Al  Al489  1  0.753726  0.063490  0.693381  1
  Al  Al490  1  0.836028  0.755430  0.682665  1
  Al  Al491  1  0.838102  0.369148  0.704996  1
  Al  Al492  1  0.836305  0.985545  0.724862  1
  Al  Al493  1  0.671555  0.756890  0.682629  1
  Al  Al494  1  0.671233  0.371369  0.704958  1
  Al  Al495  1  0.669461  0.989055  0.724324  1
  Al  Al496  1  1.003475  0.756452  0.682966  1
  Al  Al497  1  0.005181  0.371753  0.704224  1
  Al  Al498  1  0.004135  0.988413  0.724366  1
  Al  Al499  1  0.004021  0.563490  0.693381  1
  Al  Al500  1  1.002783  0.176706  0.714151  1
  Al  Al501  1  1.003273  0.948193  0.671129  1
  Al  Al502  1  0.588627  0.682552  0.715039  1
  Al  Al503  1  0.586423  0.448761  0.670592  1
  Al  Al504  1  0.585713  0.064258  0.693017  1
