# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   26.36034606
_cell_length_b   16.83892133
_cell_length_c   47.80807013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.77434254
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti192 Al384'
_cell_volume   20156.421264
_cell_formula_units_Z   192
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  0.648374  0.935400  0.280995  1
  Ti  Ti2  1  0.128843  0.867516  0.306801  1
  Ti  Ti3  1  0.648482  0.602052  0.280994  1
  Ti  Ti4  1  0.128660  0.534725  0.306862  1
  Ti  Ti5  1  0.648436  0.268656  0.281004  1
  Ti  Ti6  1  0.128526  0.201234  0.306831  1
  Ti  Ti7  1  0.702564  0.829923  0.320296  1
  Ti  Ti8  1  0.220725  0.903221  0.293309  1
  Ti  Ti9  1  0.702594  0.496574  0.320298  1
  Ti  Ti10  1  0.220891  0.569431  0.293489  1
  Ti  Ti11  1  0.702588  0.163219  0.320292  1
  Ti  Ti12  1  0.221161  0.235980  0.293306  1
  Ti  Ti13  1  0.369516  0.830112  0.320590  1
  Ti  Ti14  1  0.888865  0.900460  0.294664  1
  Ti  Ti15  1  0.368988  0.497477  0.319975  1
  Ti  Ti16  1  0.888865  0.567137  0.294665  1
  Ti  Ti17  1  0.369342  0.163459  0.320538  1
  Ti  Ti18  1  0.888884  0.233777  0.294665  1
  Ti  Ti19  1  0.461251  0.864396  0.306376  1
  Ti  Ti20  1  0.942670  0.795326  0.334068  1
  Ti  Ti21  1  0.461711  0.530856  0.306647  1
  Ti  Ti22  1  0.942672  0.461999  0.334065  1
  Ti  Ti23  1  0.461242  0.197662  0.306378  1
  Ti  Ti24  1  0.942690  0.128578  0.334065  1
  Ti  Ti25  1  0.609893  0.793044  0.333772  1
  Ti  Ti26  1  0.089808  0.723414  0.360662  1
  Ti  Ti27  1  0.609970  0.459686  0.333773  1
  Ti  Ti28  1  0.089765  0.390101  0.360665  1
  Ti  Ti29  1  0.609923  0.126367  0.333771  1
  Ti  Ti30  1  0.089745  0.056787  0.360674  1
  Ti  Ti31  1  0.664569  0.685327  0.375789  1
  Ti  Ti32  1  0.182627  0.758502  0.347375  1
  Ti  Ti33  1  0.664590  0.351954  0.375787  1
  Ti  Ti34  1  0.182400  0.425421  0.347401  1
  Ti  Ti35  1  0.664561  0.018634  0.375780  1
  Ti  Ti36  1  0.182412  0.092077  0.347366  1
  Ti  Ti37  1  0.331749  0.684964  0.375563  1
  Ti  Ti38  1  0.849932  0.758506  0.347169  1
  Ti  Ti39  1  0.331820  0.351687  0.375932  1
  Ti  Ti40  1  0.849931  0.425174  0.347165  1
  Ti  Ti41  1  0.331820  0.018367  0.375907  1
  Ti  Ti42  1  0.849940  0.091815  0.347164  1
  Ti  Ti43  1  0.423816  0.720868  0.361170  1
  Ti  Ti44  1  0.904862  0.649807  0.389521  1
  Ti  Ti45  1  0.423952  0.388159  0.361298  1
  Ti  Ti46  1  0.904852  0.316464  0.389523  1
  Ti  Ti47  1  0.424103  0.054526  0.361412  1
  Ti  Ti48  1  0.904873  0.983111  0.389522  1
  Ti  Ti49  1  0.571710  0.648908  0.390045  1
  Ti  Ti50  1  0.052905  0.577467  0.417571  1
  Ti  Ti51  1  0.571735  0.315443  0.390068  1
  Ti  Ti52  1  0.052895  0.244122  0.417560  1
  Ti  Ti53  1  0.571645  0.982220  0.390018  1
  Ti  Ti54  1  0.052940  0.910750  0.417553  1
  Ti  Ti55  1  0.626483  0.540590  0.431473  1
  Ti  Ti56  1  0.145065  0.613605  0.403524  1
  Ti  Ti57  1  0.626471  0.207236  0.431472  1
  Ti  Ti58  1  0.145020  0.280261  0.403493  1
  Ti  Ti59  1  0.626445  0.873913  0.431458  1
  Ti  Ti60  1  0.145027  0.946923  0.403511  1
  Ti  Ti61  1  0.293409  0.540774  0.431295  1
  Ti  Ti62  1  0.812364  0.613281  0.403999  1
  Ti  Ti63  1  0.293374  0.207442  0.431380  1
  Ti  Ti64  1  0.812367  0.279924  0.403997  1
  Ti  Ti65  1  0.293358  0.874148  0.431373  1
  Ti  Ti66  1  0.812364  0.946598  0.404001  1
  Ti  Ti67  1  0.385882  0.576858  0.417544  1
  Ti  Ti68  1  0.867212  0.504621  0.445377  1
  Ti  Ti69  1  0.385938  0.243538  0.417644  1
  Ti  Ti70  1  0.867223  0.171254  0.445380  1
  Ti  Ti71  1  0.385929  0.910184  0.417645  1
  Ti  Ti72  1  0.867228  0.837950  0.445383  1
  Ti  Ti73  1  0.534038  0.504366  0.445215  1
  Ti  Ti74  1  0.015433  0.432159  0.473005  1
  Ti  Ti75  1  0.534036  0.171048  0.445228  1
  Ti  Ti76  1  0.015433  0.098822  0.473028  1
  Ti  Ti77  1  0.534012  0.837604  0.445211  1
  Ti  Ti78  1  0.015451  0.765478  0.473020  1
  Ti  Ti79  1  0.588842  0.395839  0.486974  1
  Ti  Ti80  1  0.107670  0.468356  0.459115  1
  Ti  Ti81  1  0.588830  0.062495  0.486972  1
  Ti  Ti82  1  0.107644  0.135032  0.459123  1
  Ti  Ti83  1  0.588837  0.729144  0.486969  1
  Ti  Ti84  1  0.107682  0.801659  0.459106  1
  Ti  Ti85  1  0.255708  0.395881  0.487019  1
  Ti  Ti86  1  0.774923  0.468155  0.459223  1
  Ti  Ti87  1  0.255696  0.062554  0.487010  1
  Ti  Ti88  1  0.774922  0.134808  0.459220  1
  Ti  Ti89  1  0.255731  0.729201  0.486946  1
  Ti  Ti90  1  0.774919  0.801500  0.459223  1
  Ti  Ti91  1  0.348158  0.432036  0.473055  1
  Ti  Ti92  1  0.829631  0.359605  0.500937  1
  Ti  Ti93  1  0.348158  0.098690  0.473080  1
  Ti  Ti94  1  0.829651  0.026279  0.500947  1
  Ti  Ti95  1  0.348137  0.765343  0.473012  1
  Ti  Ti96  1  0.829637  0.692981  0.500941  1
  Ti  Ti97  1  0.496242  0.359579  0.501040  1
  Ti  Ti98  1  0.977653  0.287203  0.528946  1
  Ti  Ti99  1  0.496255  0.026209  0.501053  1
  Ti  Ti100  1  0.977682  0.953873  0.528984  1
  Ti  Ti101  1  0.496240  0.692866  0.501025  1
  Ti  Ti102  1  0.977674  0.620560  0.528965  1
  Ti  Ti103  1  0.550926  0.251079  0.542730  1
  Ti  Ti104  1  0.070006  0.323358  0.514955  1
  Ti  Ti105  1  0.550927  0.917719  0.542723  1
  Ti  Ti106  1  0.069988  0.990028  0.514990  1
  Ti  Ti107  1  0.550934  0.584392  0.542719  1
  Ti  Ti108  1  0.070006  0.656687  0.514994  1
  Ti  Ti109  1  0.218074  0.250849  0.542836  1
  Ti  Ti110  1  0.737036  0.323391  0.514971  1
  Ti  Ti111  1  0.218053  0.917539  0.542823  1
  Ti  Ti112  1  0.737024  0.990070  0.514965  1
  Ti  Ti113  1  0.218078  0.584202  0.542816  1
  Ti  Ti114  1  0.737039  0.656744  0.514974  1
  Ti  Ti115  1  0.310355  0.287045  0.528960  1
  Ti  Ti116  1  0.791881  0.214824  0.556778  1
  Ti  Ti117  1  0.310351  0.953713  0.528948  1
  Ti  Ti118  1  0.791884  0.881587  0.556775  1
  Ti  Ti119  1  0.310358  0.620376  0.528915  1
  Ti  Ti120  1  0.791905  0.548211  0.556790  1
  Ti  Ti121  1  0.458615  0.214572  0.556600  1
  Ti  Ti122  1  0.940020  0.142356  0.584478  1
  Ti  Ti123  1  0.458617  0.881211  0.556585  1
  Ti  Ti124  1  0.940022  0.809059  0.584466  1
  Ti  Ti125  1  0.458614  0.547906  0.556573  1
  Ti  Ti126  1  0.939955  0.475692  0.584396  1
  Ti  Ti127  1  0.513444  0.105926  0.597947  1
  Ti  Ti128  1  0.032362  0.178447  0.570691  1
  Ti  Ti129  1  0.513454  0.772578  0.597934  1
  Ti  Ti130  1  0.032385  0.845078  0.570681  1
  Ti  Ti131  1  0.513456  0.439259  0.597936  1
  Ti  Ti132  1  0.032408  0.511753  0.570611  1
  Ti  Ti133  1  0.180704  0.105584  0.598336  1
  Ti  Ti134  1  0.699342  0.178639  0.570441  1
  Ti  Ti135  1  0.180715  0.772245  0.598308  1
  Ti  Ti136  1  0.699361  0.845288  0.570450  1
  Ti  Ti137  1  0.180722  0.438941  0.598380  1
  Ti  Ti138  1  0.699377  0.511978  0.570458  1
  Ti  Ti139  1  0.272874  0.141718  0.584375  1
  Ti  Ti140  1  0.753995  0.070484  0.611786  1
  Ti  Ti141  1  0.272864  0.808399  0.584351  1
  Ti  Ti142  1  0.754083  0.737034  0.611839  1
  Ti  Ti143  1  0.272861  0.475080  0.584381  1
  Ti  Ti144  1  0.754065  0.403834  0.611826  1
  Ti  Ti145  1  0.420950  0.069355  0.612437  1
  Ti  Ti146  1  0.902276  0.998136  0.640941  1
  Ti  Ti147  1  0.420964  0.736013  0.612413  1
  Ti  Ti148  1  0.902105  0.665172  0.640836  1
  Ti  Ti149  1  0.420952  0.402689  0.612426  1
  Ti  Ti150  1  0.902103  0.331205  0.640801  1
  Ti  Ti151  1  0.475869  0.960643  0.654782  1
  Ti  Ti152  1  0.994200  0.034051  0.626570  1
  Ti  Ti153  1  0.475888  0.627305  0.654770  1
  Ti  Ti154  1  0.994181  0.700823  0.626577  1
  Ti  Ti155  1  0.475871  0.293974  0.654787  1
  Ti  Ti156  1  0.994091  0.367319  0.626318  1
  Ti  Ti157  1  0.143098  0.960577  0.654438  1
  Ti  Ti158  1  0.661205  0.033915  0.626125  1
  Ti  Ti159  1  0.143108  0.627324  0.654465  1
  Ti  Ti160  1  0.661235  0.700568  0.626131  1
  Ti  Ti161  1  0.143185  0.293716  0.654505  1
  Ti  Ti162  1  0.661221  0.367269  0.626136  1
  Ti  Ti163  1  0.236014  0.995651  0.641200  1
  Ti  Ti164  1  0.715826  0.926222  0.668118  1
  Ti  Ti165  1  0.236043  0.662309  0.641192  1
  Ti  Ti166  1  0.715887  0.592858  0.668126  1
  Ti  Ti167  1  0.236009  0.328982  0.641250  1
  Ti  Ti168  1  0.715827  0.259560  0.668120  1
  Ti  Ti169  1  0.383122  0.923787  0.667870  1
  Ti  Ti170  1  0.863938  0.854866  0.695118  1
  Ti  Ti171  1  0.383161  0.590466  0.667852  1
  Ti  Ti172  1  0.864410  0.521393  0.695392  1
  Ti  Ti173  1  0.383080  0.257138  0.667890  1
  Ti  Ti174  1  0.863954  0.188213  0.695123  1
  Ti  Ti175  1  0.436934  0.818658  0.707272  1
  Ti  Ti176  1  0.956667  0.888925  0.682134  1
  Ti  Ti177  1  0.436923  0.485337  0.707269  1
  Ti  Ti178  1  0.956358  0.556475  0.681634  1
  Ti  Ti179  1  0.436927  0.151993  0.707283  1
  Ti  Ti180  1  0.956808  0.222013  0.682200  1
  Ti  Ti181  1  0.106372  0.815896  0.708155  1
  Ti  Ti182  1  0.623197  0.889233  0.681611  1
  Ti  Ti183  1  0.105689  0.483144  0.708423  1
  Ti  Ti184  1  0.623207  0.555921  0.681618  1
  Ti  Ti185  1  0.106056  0.149287  0.708152  1
  Ti  Ti186  1  0.623182  0.222605  0.681617  1
  Ti  Ti187  1  0.196965  0.851099  0.695026  1
  Ti  Ti188  1  0.677221  0.783788  0.720919  1
  Ti  Ti189  1  0.197110  0.517971  0.695082  1
  Ti  Ti190  1  0.677280  0.450511  0.720911  1
  Ti  Ti191  1  0.196992  0.184341  0.695047  1
  Ti  Ti192  1  0.677155  0.117200  0.720910  1
  Al  Al193  1  0.313328  0.940420  0.281373  1
  Al  Al194  1  0.794391  0.866587  0.305528  1
  Al  Al195  1  0.275941  0.461167  0.335024  1
  Al  Al196  1  0.794395  0.533263  0.305522  1
  Al  Al197  1  0.313427  0.273434  0.281307  1
  Al  Al198  1  0.794407  0.199905  0.305523  1
  Al  Al199  1  0.313094  0.108494  0.281239  1
  Al  Al200  1  0.795429  0.033797  0.305930  1
  Al  Al201  1  0.312560  0.777643  0.281483  1
  Al  Al202  1  0.795421  0.700489  0.305934  1
  Al  Al203  1  0.312100  0.440824  0.281764  1
  Al  Al204  1  0.795439  0.367132  0.305930  1
  Al  Al205  1  0.703783  0.996304  0.320762  1
  Al  Al206  1  0.220812  0.070264  0.292569  1
  Al  Al207  1  0.703795  0.662999  0.320777  1
  Al  Al208  1  0.221404  0.736681  0.293000  1
  Al  Al209  1  0.703816  0.329618  0.320768  1
  Al  Al210  1  0.220466  0.403267  0.292586  1
  Al  Al211  1  0.648717  0.102632  0.280159  1
  Al  Al212  1  0.127743  0.034806  0.305645  1
  Al  Al213  1  0.648733  0.769331  0.280161  1
  Al  Al214  1  0.127820  0.701536  0.305639  1
  Al  Al215  1  0.648794  0.435941  0.280160  1
  Al  Al216  1  0.127907  0.368063  0.305643  1
  Al  Al217  1  0.554375  0.901356  0.292826  1
  Al  Al218  1  0.034408  0.832691  0.319183  1
  Al  Al219  1  0.554540  0.567980  0.292817  1
  Al  Al220  1  0.034412  0.499367  0.319184  1
  Al  Al221  1  0.554398  0.234633  0.292835  1
  Al  Al222  1  0.034322  0.166012  0.319179  1
  Al  Al223  1  0.555066  0.068158  0.293009  1
  Al  Al224  1  0.034972  0.999184  0.319447  1
  Al  Al225  1  0.555127  0.734852  0.292995  1
  Al  Al226  1  0.034863  0.666064  0.319448  1
  Al  Al227  1  0.555189  0.401371  0.293015  1
  Al  Al228  1  0.034869  0.332758  0.319432  1
  Al  Al229  1  0.460359  0.032260  0.305792  1
  Al  Al230  1  0.943816  0.961639  0.334520  1
  Al  Al231  1  0.460677  0.698901  0.305820  1
  Al  Al232  1  0.943803  0.628336  0.334524  1
  Al  Al233  1  0.460555  0.365454  0.305893  1
  Al  Al234  1  0.943795  0.294989  0.334527  1
  Al  Al235  1  0.369072  0.996700  0.320233  1
  Al  Al236  1  0.889489  0.067618  0.293702  1
  Al  Al237  1  0.368577  0.663306  0.319553  1
  Al  Al238  1  0.889484  0.734302  0.293707  1
  Al  Al239  1  0.369132  0.329907  0.320285  1
  Al  Al240  1  0.889493  0.400960  0.293707  1
  Al  Al241  1  0.275852  0.795279  0.334916  1
  Al  Al242  1  0.757663  0.721821  0.362116  1
  Al  Al243  1  0.238094  0.316683  0.389623  1
  Al  Al244  1  0.757677  0.388458  0.362113  1
  Al  Al245  1  0.276024  0.127653  0.334835  1
  Al  Al246  1  0.757668  0.055117  0.362112  1
  Al  Al247  1  0.275927  0.961447  0.334671  1
  Al  Al248  1  0.757515  0.888150  0.362055  1
  Al  Al249  1  0.276482  0.628558  0.333742  1
  Al  Al250  1  0.757522  0.554828  0.362056  1
  Al  Al251  1  0.275929  0.294778  0.334677  1
  Al  Al252  1  0.757533  0.221462  0.362051  1
  Al  Al253  1  0.664552  0.851753  0.375825  1
  Al  Al254  1  0.183086  0.925453  0.348443  1
  Al  Al255  1  0.664591  0.518409  0.375833  1
  Al  Al256  1  0.183196  0.592088  0.348521  1
  Al  Al257  1  0.664598  0.185037  0.375829  1
  Al  Al258  1  0.183152  0.258757  0.348406  1
  Al  Al259  1  0.608882  0.960154  0.334933  1
  Al  Al260  1  0.089699  0.889959  0.361720  1
  Al  Al261  1  0.608924  0.626829  0.334936  1
  Al  Al262  1  0.089587  0.556746  0.361762  1
  Al  Al263  1  0.608930  0.293437  0.334951  1
  Al  Al264  1  0.089569  0.223404  0.361743  1
  Al  Al265  1  0.516973  0.756759  0.347950  1
  Al  Al266  1  0.997921  0.686381  0.375791  1
  Al  Al267  1  0.517238  0.423216  0.348048  1
  Al  Al268  1  0.997901  0.353039  0.375786  1
  Al  Al269  1  0.517056  0.090129  0.347929  1
  Al  Al270  1  0.997932  0.019640  0.375785  1
  Al  Al271  1  0.516770  0.923798  0.347758  1
  Al  Al272  1  0.997857  0.852996  0.375731  1
  Al  Al273  1  0.516905  0.590486  0.347861  1
  Al  Al274  1  0.997826  0.519687  0.375740  1
  Al  Al275  1  0.516761  0.257140  0.347790  1
  Al  Al276  1  0.997806  0.186336  0.375742  1
  Al  Al277  1  0.424532  0.887616  0.362134  1
  Al  Al278  1  0.904859  0.816191  0.389548  1
  Al  Al279  1  0.424348  0.554275  0.362028  1
  Al  Al280  1  0.904848  0.482865  0.389543  1
  Al  Al281  1  0.424503  0.221137  0.362108  1
  Al  Al282  1  0.904858  0.149506  0.389545  1
  Al  Al283  1  0.331320  0.851938  0.375920  1
  Al  Al284  1  0.848884  0.925551  0.348564  1
  Al  Al285  1  0.331266  0.518690  0.375728  1
  Al  Al286  1  0.848882  0.592230  0.348563  1
  Al  Al287  1  0.331309  0.185278  0.375917  1
  Al  Al288  1  0.848900  0.258866  0.348561  1
  Al  Al289  1  0.238304  0.649677  0.389405  1
  Al  Al290  1  0.719451  0.576779  0.417585  1
  Al  Al291  1  0.200426  0.171269  0.445183  1
  Al  Al292  1  0.719448  0.243421  0.417584  1
  Al  Al293  1  0.238086  0.983396  0.389614  1
  Al  Al294  1  0.719433  0.910107  0.417582  1
  Al  Al295  1  0.238107  0.815731  0.389648  1
  Al  Al296  1  0.719475  0.743675  0.417595  1
  Al  Al297  1  0.238065  0.482401  0.389673  1
  Al  Al298  1  0.719484  0.410320  0.417596  1
  Al  Al299  1  0.238067  0.149148  0.389645  1
  Al  Al300  1  0.719472  0.076973  0.417594  1
  Al  Al301  1  0.626942  0.707072  0.431460  1
  Al  Al302  1  0.145152  0.779930  0.403122  1
  Al  Al303  1  0.626947  0.373736  0.431464  1
  Al  Al304  1  0.145072  0.446653  0.403150  1
  Al  Al305  1  0.626903  0.040398  0.431447  1
  Al  Al306  1  0.145074  0.113315  0.403139  1
  Al  Al307  1  0.571632  0.815659  0.389542  1
  Al  Al308  1  0.052760  0.744251  0.417106  1
  Al  Al309  1  0.571723  0.482283  0.389565  1
  Al  Al310  1  0.052739  0.410935  0.417106  1
  Al  Al311  1  0.571664  0.148965  0.389550  1
  Al  Al312  1  0.052736  0.077586  0.417117  1
  Al  Al313  1  0.478651  0.613039  0.403451  1
  Al  Al314  1  0.960007  0.540994  0.431312  1
  Al  Al315  1  0.478647  0.279805  0.403482  1
  Al  Al316  1  0.960009  0.207635  0.431316  1
  Al  Al317  1  0.478698  0.946303  0.403528  1
  Al  Al318  1  0.960034  0.874303  0.431316  1
  Al  Al319  1  0.478653  0.779309  0.403477  1
  Al  Al320  1  0.960059  0.707756  0.431338  1
  Al  Al321  1  0.478779  0.446151  0.403522  1
  Al  Al322  1  0.960047  0.374423  0.431329  1
  Al  Al323  1  0.478780  0.112844  0.403560  1
  Al  Al324  1  0.960073  0.041055  0.431337  1
  Al  Al325  1  0.386297  0.743320  0.417301  1
  Al  Al326  1  0.867727  0.671098  0.445366  1
  Al  Al327  1  0.386442  0.410067  0.417406  1
  Al  Al328  1  0.867724  0.337747  0.445364  1
  Al  Al329  1  0.386438  0.076702  0.417457  1
  Al  Al330  1  0.867738  0.004408  0.445367  1
  Al  Al331  1  0.293224  0.707557  0.431215  1
  Al  Al332  1  0.812405  0.780005  0.403428  1
  Al  Al333  1  0.293184  0.374228  0.431371  1
  Al  Al334  1  0.812400  0.446667  0.403424  1
  Al  Al335  1  0.293182  0.040913  0.431362  1
  Al  Al336  1  0.812409  0.113315  0.403423  1
  Al  Al337  1  0.200471  0.504599  0.445193  1
  Al  Al338  1  0.681883  0.432051  0.473208  1
  Al  Al339  1  0.162833  0.026285  0.500977  1
  Al  Al340  1  0.681869  0.098707  0.473199  1
  Al  Al341  1  0.200442  0.837931  0.445168  1
  Al  Al342  1  0.681870  0.765397  0.473203  1
  Al  Al343  1  0.200551  0.671380  0.445131  1
  Al  Al344  1  0.681843  0.598580  0.473196  1
  Al  Al345  1  0.200484  0.338029  0.445192  1
  Al  Al346  1  0.681834  0.265240  0.473191  1
  Al  Al347  1  0.200468  0.004721  0.445194  1
  Al  Al348  1  0.681819  0.931911  0.473183  1
  Al  Al349  1  0.588983  0.562344  0.487085  1
  Al  Al350  1  0.108037  0.634876  0.459286  1
  Al  Al351  1  0.588975  0.229027  0.487091  1
  Al  Al352  1  0.108019  0.301553  0.459265  1
  Al  Al353  1  0.588958  0.895669  0.487076  1
  Al  Al354  1  0.108009  0.968214  0.459282  1
  Al  Al355  1  0.533633  0.671190  0.445408  1
  Al  Al356  1  0.015012  0.599039  0.473191  1
  Al  Al357  1  0.533642  0.337900  0.445425  1
  Al  Al358  1  0.014992  0.265705  0.473179  1
  Al  Al359  1  0.533639  0.004527  0.445422  1
  Al  Al360  1  0.015023  0.932350  0.473190  1
  Al  Al361  1  0.441133  0.468215  0.459253  1
  Al  Al362  1  0.922573  0.395897  0.487110  1
  Al  Al363  1  0.441162  0.134833  0.459299  1
  Al  Al364  1  0.922594  0.062544  0.487132  1
  Al  Al365  1  0.441137  0.801416  0.459253  1
  Al  Al366  1  0.922590  0.729241  0.487126  1
  Al  Al367  1  0.441098  0.634863  0.459213  1
  Al  Al368  1  0.922551  0.562530  0.487103  1
  Al  Al369  1  0.441131  0.301548  0.459271  1
  Al  Al370  1  0.922544  0.229159  0.487106  1
  Al  Al371  1  0.441134  0.968161  0.459285  1
  Al  Al372  1  0.922571  0.895839  0.487117  1
  Al  Al373  1  0.348344  0.598536  0.473183  1
  Al  Al374  1  0.829812  0.526177  0.501077  1
  Al  Al375  1  0.348350  0.265206  0.473252  1
  Al  Al376  1  0.829816  0.192813  0.501079  1
  Al  Al377  1  0.348343  0.931864  0.473246  1
  Al  Al378  1  0.829822  0.859509  0.501080  1
  Al  Al379  1  0.255432  0.562702  0.487013  1
  Al  Al380  1  0.774408  0.635100  0.459388  1
  Al  Al381  1  0.255421  0.229367  0.487057  1
  Al  Al382  1  0.774409  0.301744  0.459384  1
  Al  Al383  1  0.255416  0.896036  0.487046  1
  Al  Al384  1  0.774412  0.968421  0.459387  1
  Al  Al385  1  0.162863  0.359594  0.500972  1
  Al  Al386  1  0.643975  0.287184  0.528725  1
  Al  Al387  1  0.125226  0.881373  0.556777  1
  Al  Al388  1  0.643972  0.953821  0.528720  1
  Al  Al389  1  0.162872  0.692926  0.500957  1
  Al  Al390  1  0.643988  0.620500  0.528727  1
  Al  Al391  1  0.162854  0.526288  0.500981  1
  Al  Al392  1  0.644039  0.453984  0.528742  1
  Al  Al393  1  0.162847  0.192957  0.500980  1
  Al  Al394  1  0.644014  0.120653  0.528733  1
  Al  Al395  1  0.162854  0.859613  0.500967  1
  Al  Al396  1  0.644023  0.787308  0.528735  1
  Al  Al397  1  0.551458  0.417470  0.542564  1
  Al  Al398  1  0.070335  0.489853  0.514912  1
  Al  Al399  1  0.551455  0.084132  0.542572  1
  Al  Al400  1  0.070315  0.156523  0.514945  1
  Al  Al401  1  0.551453  0.750782  0.542558  1
  Al  Al402  1  0.070333  0.823178  0.514933  1
  Al  Al403  1  0.496046  0.526361  0.500890  1
  Al  Al404  1  0.977437  0.454038  0.528748  1
  Al  Al405  1  0.496053  0.193025  0.500913  1
  Al  Al406  1  0.977451  0.120693  0.528797  1
  Al  Al407  1  0.496049  0.859660  0.500899  1
  Al  Al408  1  0.977462  0.787367  0.528789  1
  Al  Al409  1  0.403255  0.323310  0.514874  1
  Al  Al410  1  0.884740  0.251007  0.542759  1
  Al  Al411  1  0.403262  0.989952  0.514877  1
  Al  Al412  1  0.884760  0.917745  0.542781  1
  Al  Al413  1  0.403246  0.656633  0.514836  1
  Al  Al414  1  0.884734  0.584456  0.542755  1
  Al  Al415  1  0.403284  0.490033  0.514868  1
  Al  Al416  1  0.884735  0.417677  0.542747  1
  Al  Al417  1  0.403291  0.156681  0.514898  1
  Al  Al418  1  0.884774  0.084323  0.542795  1
  Al  Al419  1  0.403273  0.823327  0.514866  1
  Al  Al420  1  0.884768  0.751047  0.542779  1
  Al  Al421  1  0.310769  0.453515  0.528784  1
  Al  Al422  1  0.792253  0.381326  0.556535  1
  Al  Al423  1  0.310767  0.120172  0.528791  1
  Al  Al424  1  0.792250  0.048008  0.556530  1
  Al  Al425  1  0.310753  0.786846  0.528751  1
  Al  Al426  1  0.792256  0.714695  0.556540  1
  Al  Al427  1  0.217734  0.417659  0.542668  1
  Al  Al428  1  0.736937  0.490216  0.514875  1
  Al  Al429  1  0.217719  0.084327  0.542651  1
  Al  Al430  1  0.736919  0.156874  0.514862  1
  Al  Al431  1  0.217739  0.750990  0.542613  1
  Al  Al432  1  0.736923  0.823559  0.514869  1
  Al  Al433  1  0.125221  0.214730  0.556788  1
  Al  Al434  1  0.606368  0.142445  0.584346  1
  Al  Al435  1  0.087502  0.736048  0.612471  1
  Al  Al436  1  0.606382  0.809090  0.584344  1
  Al  Al437  1  0.125268  0.548040  0.556799  1
  Al  Al438  1  0.606390  0.475777  0.584344  1
  Al  Al439  1  0.125256  0.381189  0.556732  1
  Al  Al440  1  0.606350  0.308900  0.584337  1
  Al  Al441  1  0.125183  0.047856  0.556773  1
  Al  Al442  1  0.606337  0.975538  0.584336  1
  Al  Al443  1  0.125203  0.714500  0.556764  1
  Al  Al444  1  0.606354  0.642215  0.584333  1
  Al  Al445  1  0.513422  0.272531  0.598529  1
  Al  Al446  1  0.032586  0.344940  0.570701  1
  Al  Al447  1  0.513417  0.939187  0.598522  1
  Al  Al448  1  0.032577  0.011611  0.570801  1
  Al  Al449  1  0.513431  0.605850  0.598513  1
  Al  Al450  1  0.032580  0.678274  0.570803  1
  Al  Al451  1  0.458095  0.381433  0.556593  1
  Al  Al452  1  0.939475  0.309199  0.584667  1
  Al  Al453  1  0.458101  0.048081  0.556603  1
  Al  Al454  1  0.939604  0.975914  0.584772  1
  Al  Al455  1  0.458102  0.714748  0.556580  1
  Al  Al456  1  0.939598  0.642618  0.584728  1
  Al  Al457  1  0.365797  0.178196  0.570652  1
  Al  Al458  1  0.847300  0.106074  0.598585  1
  Al  Al459  1  0.365798  0.844845  0.570629  1
  Al  Al460  1  0.847239  0.772916  0.598534  1
  Al  Al461  1  0.365792  0.511535  0.570628  1
  Al  Al462  1  0.847277  0.439449  0.598560  1
  Al  Al463  1  0.365743  0.344771  0.570629  1
  Al  Al464  1  0.847171  0.273111  0.598510  1
  Al  Al465  1  0.365757  0.011419  0.570623  1
  Al  Al466  1  0.847250  0.939939  0.598546  1
  Al  Al467  1  0.365750  0.678104  0.570596  1
  Al  Al468  1  0.847258  0.606553  0.598539  1
  Al  Al469  1  0.273034  0.308251  0.584835  1
  Al  Al470  1  0.754077  0.237021  0.612342  1
  Al  Al471  1  0.273040  0.974907  0.584811  1
  Al  Al472  1  0.754088  0.903662  0.612342  1
  Al  Al473  1  0.273054  0.641579  0.584794  1
  Al  Al474  1  0.754152  0.570304  0.612371  1
  Al  Al475  1  0.180637  0.272521  0.598786  1
  Al  Al476  1  0.698893  0.345472  0.570456  1
  Al  Al477  1  0.180593  0.939217  0.598755  1
  Al  Al478  1  0.698847  0.012131  0.570438  1
  Al  Al479  1  0.180591  0.605895  0.598766  1
  Al  Al480  1  0.698895  0.678795  0.570456  1
  Al  Al481  1  0.087492  0.069377  0.612464  1
  Al  Al482  1  0.568119  0.997370  0.639813  1
  Al  Al483  1  0.049320  0.592419  0.668026  1
  Al  Al484  1  0.568135  0.664045  0.639810  1
  Al  Al485  1  0.087680  0.402344  0.612265  1
  Al  Al486  1  0.568122  0.330729  0.639815  1
  Al  Al487  1  0.087517  0.236582  0.612500  1
  Al  Al488  1  0.568259  0.164370  0.639876  1
  Al  Al489  1  0.087515  0.903323  0.612467  1
  Al  Al490  1  0.568270  0.831022  0.639869  1
  Al  Al491  1  0.087502  0.569948  0.612497  1
  Al  Al492  1  0.568277  0.497705  0.639871  1
  Al  Al493  1  0.476911  0.126936  0.653390  1
  Al  Al494  1  0.994648  0.200455  0.626339  1
  Al  Al495  1  0.476930  0.793588  0.653375  1
  Al  Al496  1  0.994642  0.867184  0.626318  1
  Al  Al497  1  0.476939  0.460247  0.653377  1
  Al  Al498  1  0.994502  0.534020  0.626123  1
  Al  Al499  1  0.420943  0.236307  0.612419  1
  Al  Al500  1  0.901798  0.164870  0.640019  1
  Al  Al501  1  0.420959  0.902959  0.612402  1
  Al  Al502  1  0.901763  0.831748  0.639994  1
  Al  Al503  1  0.420965  0.569633  0.612388  1
  Al  Al504  1  0.901696  0.498195  0.639982  1
  Al  Al505  1  0.327891  0.032762  0.626143  1
  Al  Al506  1  0.808622  0.962729  0.653756  1
  Al  Al507  1  0.327896  0.699451  0.626124  1
  Al  Al508  1  0.808807  0.629151  0.653882  1
  Al  Al509  1  0.327867  0.366133  0.626158  1
  Al  Al510  1  0.808592  0.296042  0.653791  1
  Al  Al511  1  0.327964  0.199443  0.626204  1
  Al  Al512  1  0.808875  0.128814  0.653908  1
  Al  Al513  1  0.327978  0.866098  0.626180  1
  Al  Al514  1  0.808844  0.795517  0.653940  1
  Al  Al515  1  0.327990  0.532775  0.626183  1
  Al  Al516  1  0.809026  0.462166  0.654026  1
  Al  Al517  1  0.236152  0.162409  0.640155  1
  Al  Al518  1  0.716839  0.092440  0.666956  1
  Al  Al519  1  0.236116  0.829128  0.640129  1
  Al  Al520  1  0.716881  0.759053  0.666975  1
  Al  Al521  1  0.236115  0.495807  0.640172  1
  Al  Al522  1  0.716888  0.425776  0.666964  1
  Al  Al523  1  0.142707  0.126988  0.653208  1
  Al  Al524  1  0.661172  0.200851  0.626081  1
  Al  Al525  1  0.142770  0.793689  0.653173  1
  Al  Al526  1  0.661207  0.867469  0.626081  1
  Al  Al527  1  0.142809  0.460392  0.653357  1
  Al  Al528  1  0.661206  0.534173  0.626088  1
  Al  Al529  1  0.049372  0.925491  0.667944  1
  Al  Al530  1  0.531412  0.852543  0.696423  1
  Al  Al531  1  0.013908  0.447164  0.719722  1
  Al  Al532  1  0.531405  0.519229  0.696421  1
  Al  Al533  1  0.049172  0.259668  0.668070  1
  Al  Al534  1  0.531405  0.185889  0.696434  1
  Al  Al535  1  0.049574  0.091411  0.667982  1
  Al  Al536  1  0.530367  0.018652  0.696019  1
  Al  Al537  1  0.049573  0.758175  0.668024  1
  Al  Al538  1  0.530375  0.685328  0.696012  1
  Al  Al539  1  0.050174  0.425536  0.666920  1
  Al  Al540  1  0.530363  0.352007  0.696021  1
  Al  Al541  1  0.436303  0.984820  0.708237  1
  Al  Al542  1  0.957321  0.055494  0.682523  1
  Al  Al543  1  0.436313  0.651492  0.708229  1
  Al  Al544  1  0.957389  0.722238  0.682576  1
  Al  Al545  1  0.436296  0.318163  0.708240  1
  Al  Al546  1  0.957128  0.388684  0.682207  1
  Al  Al547  1  0.381984  0.090783  0.667427  1
  Al  Al548  1  0.864204  0.020641  0.695762  1
  Al  Al549  1  0.382022  0.757440  0.667404  1
  Al  Al550  1  0.864392  0.687234  0.695863  1
  Al  Al551  1  0.382007  0.424095  0.667415  1
  Al  Al552  1  0.864564  0.353916  0.695826  1
  Al  Al553  1  0.291409  0.886225  0.682675  1
  Al  Al554  1  0.771112  0.817943  0.709098  1
  Al  Al555  1  0.291510  0.552903  0.682679  1
  Al  Al556  1  0.771274  0.484599  0.709084  1
  Al  Al557  1  0.291335  0.219672  0.682731  1
  Al  Al558  1  0.771091  0.151312  0.709092  1
  Al  Al559  1  0.290899  0.053048  0.682445  1
  Al  Al560  1  0.770439  0.984398  0.708923  1
  Al  Al561  1  0.290926  0.719768  0.682421  1
  Al  Al562  1  0.770571  0.650949  0.708931  1
  Al  Al563  1  0.290843  0.386387  0.682485  1
  Al  Al564  1  0.770526  0.317751  0.708912  1
  Al  Al565  1  0.198340  0.016967  0.696214  1
  Al  Al566  1  0.676892  0.949906  0.721749  1
  Al  Al567  1  0.198454  0.683637  0.696218  1
  Al  Al568  1  0.676977  0.616544  0.721753  1
  Al  Al569  1  0.197915  0.350708  0.696264  1
  Al  Al570  1  0.676928  0.283265  0.721751  1
  Al  Al571  1  0.105173  0.982253  0.708354  1
  Al  Al572  1  0.621929  0.056196  0.681124  1
  Al  Al573  1  0.105019  0.648928  0.708390  1
  Al  Al574  1  0.621968  0.722838  0.681129  1
  Al  Al575  1  0.104770  0.315802  0.708849  1
  Al  Al576  1  0.621956  0.389548  0.681140  1
