# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10881469
_cell_length_b   25.25597127
_cell_length_c   48.89409222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.34028141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl3
_chemical_formula_sum   'Ti96 Al288'
_cell_volume   13384.4192732
_cell_formula_units_Z   96
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  0.897621  0.696221  0.312705  1
  Ti  Ti2  1  0.398467  0.695037  0.312932  1
  Ti  Ti3  1  0.821129  0.352178  0.330550  1
  Ti  Ti4  1  0.477413  0.037081  0.295082  1
  Ti  Ti5  1  0.061223  0.374594  0.277850  1
  Ti  Ti6  1  0.975772  0.036700  0.294731  1
  Ti  Ti7  1  0.229917  0.533905  0.294953  1
  Ti  Ti8  1  0.727987  0.534975  0.295241  1
  Ti  Ti9  1  0.149303  0.194538  0.313440  1
  Ti  Ti10  1  0.069589  0.852896  0.331826  1
  Ti  Ti11  1  0.648609  0.195401  0.312723  1
  Ti  Ti12  1  0.305526  0.875607  0.277942  1
  Ti  Ti13  1  0.161483  0.668760  0.367756  1
  Ti  Ti14  1  0.661656  0.668916  0.367752  1
  Ti  Ti15  1  0.082894  0.327154  0.387709  1
  Ti  Ti16  1  0.739897  0.010224  0.349031  1
  Ti  Ti17  1  0.319914  0.351888  0.331723  1
  Ti  Ti18  1  0.241081  0.010126  0.349712  1
  Ti  Ti19  1  0.491464  0.510195  0.349012  1
  Ti  Ti20  1  0.990084  0.511017  0.349389  1
  Ti  Ti21  1  0.412229  0.169067  0.368383  1
  Ti  Ti22  1  0.332413  0.827101  0.387697  1
  Ti  Ti23  1  0.911716  0.169299  0.368750  1
  Ti  Ti24  1  0.568352  0.853345  0.330813  1
  Ti  Ti25  1  0.424337  0.643571  0.423995  1
  Ti  Ti26  1  0.924277  0.643725  0.423838  1
  Ti  Ti27  1  0.345235  0.302054  0.442905  1
  Ti  Ti28  1  0.003197  0.985464  0.405814  1
  Ti  Ti29  1  0.582383  0.327829  0.386751  1
  Ti  Ti30  1  0.503443  0.985491  0.405741  1
  Ti  Ti31  1  0.753418  0.485547  0.405541  1
  Ti  Ti32  1  0.253452  0.485680  0.405627  1
  Ti  Ti33  1  0.674299  0.143697  0.424052  1
  Ti  Ti34  1  0.595121  0.801986  0.442538  1
  Ti  Ti35  1  0.174358  0.143529  0.424458  1
  Ti  Ti36  1  0.832116  0.827810  0.386723  1
  Ti  Ti37  1  0.686924  0.618485  0.479568  1
  Ti  Ti38  1  0.186965  0.618452  0.479627  1
  Ti  Ti39  1  0.607859  0.276768  0.498166  1
  Ti  Ti40  1  0.266089  0.960166  0.461517  1
  Ti  Ti41  1  0.845116  0.302250  0.442635  1
  Ti  Ti42  1  0.765978  0.960272  0.461148  1
  Ti  Ti43  1  0.015994  0.460416  0.461195  1
  Ti  Ti44  1  0.516037  0.460433  0.461026  1
  Ti  Ti45  1  0.937055  0.118288  0.479905  1
  Ti  Ti46  1  0.857856  0.776703  0.498145  1
  Ti  Ti47  1  0.437074  0.118331  0.479862  1
  Ti  Ti48  1  0.095147  0.801863  0.442837  1
  Ti  Ti49  1  0.949655  0.593114  0.535429  1
  Ti  Ti50  1  0.449628  0.593106  0.535588  1
  Ti  Ti51  1  0.870746  0.251235  0.553925  1
  Ti  Ti52  1  0.528759  0.934869  0.517101  1
  Ti  Ti53  1  0.107982  0.276560  0.498665  1
  Ti  Ti54  1  0.028833  0.934799  0.517281  1
  Ti  Ti55  1  0.278747  0.435026  0.516982  1
  Ti  Ti56  1  0.778704  0.435067  0.516910  1
  Ti  Ti57  1  0.199874  0.092885  0.535907  1
  Ti  Ti58  1  0.120548  0.751234  0.554277  1
  Ti  Ti59  1  0.699788  0.092987  0.535535  1
  Ti  Ti60  1  0.357887  0.776506  0.498635  1
  Ti  Ti61  1  0.212274  0.567924  0.591152  1
  Ti  Ti62  1  0.712225  0.567865  0.591087  1
  Ti  Ti63  1  0.133755  0.225430  0.610131  1
  Ti  Ti64  1  0.791562  0.909676  0.572630  1
  Ti  Ti65  1  0.370784  0.251079  0.554233  1
  Ti  Ti66  1  0.291456  0.909553  0.573037  1
  Ti  Ti67  1  0.541394  0.409811  0.572483  1
  Ti  Ti68  1  0.041511  0.409624  0.572653  1
  Ti  Ti69  1  0.462269  0.067913  0.591293  1
  Ti  Ti70  1  0.383185  0.725453  0.610114  1
  Ti  Ti71  1  0.962673  0.067685  0.591262  1
  Ti  Ti72  1  0.620491  0.751315  0.553932  1
  Ti  Ti73  1  0.474188  0.543600  0.647684  1
  Ti  Ti74  1  0.975373  0.542978  0.647342  1
  Ti  Ti75  1  0.397107  0.200831  0.666474  1
  Ti  Ti76  1  0.053741  0.884534  0.629135  1
  Ti  Ti77  1  0.633401  0.226094  0.609112  1
  Ti  Ti78  1  0.553492  0.883929  0.628506  1
  Ti  Ti79  1  0.804464  0.384129  0.628128  1
  Ti  Ti80  1  0.304415  0.383981  0.628192  1
  Ti  Ti81  1  0.725144  0.043027  0.647314  1
  Ti  Ti82  1  0.646300  0.700798  0.665130  1
  Ti  Ti83  1  0.225707  0.042920  0.647950  1
  Ti  Ti84  1  0.882997  0.726183  0.609164  1
  Ti  Ti85  1  0.737672  0.516383  0.702195  1
  Ti  Ti86  1  0.239085  0.515891  0.701960  1
  Ti  Ti87  1  0.659498  0.178659  0.718984  1
  Ti  Ti88  1  0.316423  0.857320  0.684252  1
  Ti  Ti89  1  0.895594  0.201632  0.665273  1
  Ti  Ti90  1  0.817038  0.858748  0.683699  1
  Ti  Ti91  1  0.067673  0.357878  0.683823  1
  Ti  Ti92  1  0.567129  0.358624  0.683493  1
  Ti  Ti93  1  0.989184  0.019124  0.701942  1
  Ti  Ti94  1  0.904819  0.678244  0.718927  1
  Ti  Ti95  1  0.488114  0.016959  0.701690  1
  Ti  Ti96  1  0.145196  0.699985  0.666154  1
  Al  Al97  1  0.148037  0.694541  0.312490  1
  Al  Al98  1  0.648803  0.694606  0.312455  1
  Al  Al99  1  0.070989  0.351300  0.332569  1
  Al  Al100  1  0.725703  0.038745  0.294779  1
  Al  Al101  1  0.305454  0.377759  0.278424  1
  Al  Al102  1  0.226616  0.035873  0.294496  1
  Al  Al103  1  0.727942  0.787515  0.296469  1
  Al  Al104  1  0.225226  0.785731  0.295360  1
  Al  Al105  1  0.649667  0.443290  0.312312  1
  Al  Al106  1  0.305373  0.127245  0.279242  1
  Al  Al107  1  0.148953  0.443789  0.313178  1
  Al  Al108  1  0.809390  0.128772  0.279148  1
  Al  Al109  1  0.975721  0.788046  0.296222  1
  Al  Al110  1  0.477361  0.786579  0.295588  1
  Al  Al111  1  0.899443  0.443606  0.312293  1
  Al  Al112  1  0.819384  0.102975  0.332244  1
  Al  Al113  1  0.401323  0.443057  0.312493  1
  Al  Al114  1  0.056524  0.128088  0.278949  1
  Al  Al115  1  0.978817  0.535196  0.295118  1
  Al  Al116  1  0.477779  0.536488  0.295204  1
  Al  Al117  1  0.898758  0.195658  0.313318  1
  Al  Al118  1  0.818626  0.854136  0.331090  1
  Al  Al119  1  0.400676  0.193895  0.312601  1
  Al  Al120  1  0.058286  0.878200  0.278409  1
  Al  Al121  1  0.319603  0.602694  0.330617  1
  Al  Al122  1  0.820229  0.603301  0.330476  1
  Al  Al123  1  0.979294  0.284957  0.295100  1
  Al  Al124  1  0.897222  0.944419  0.312237  1
  Al  Al125  1  0.478617  0.286827  0.296032  1
  Al  Al126  1  0.399101  0.944627  0.312187  1
  Al  Al127  1  0.069115  0.603064  0.330273  1
  Al  Al128  1  0.569147  0.602966  0.330755  1
  Al  Al129  1  0.727685  0.286042  0.296027  1
  Al  Al130  1  0.647843  0.944411  0.312144  1
  Al  Al131  1  0.231711  0.284416  0.294989  1
  Al  Al132  1  0.147049  0.945048  0.312906  1
  Al  Al133  1  0.411354  0.669214  0.368422  1
  Al  Al134  1  0.911427  0.669205  0.368175  1
  Al  Al135  1  0.332611  0.327501  0.387311  1
  Al  Al136  1  0.990059  0.010509  0.350128  1
  Al  Al137  1  0.570076  0.352853  0.330961  1
  Al  Al138  1  0.490616  0.010528  0.350216  1
  Al  Al139  1  0.990476  0.761129  0.350125  1
  Al  Al140  1  0.490587  0.761176  0.350179  1
  Al  Al141  1  0.911698  0.418900  0.368286  1
  Al  Al142  1  0.570042  0.103531  0.331008  1
  Al  Al143  1  0.411287  0.419265  0.368267  1
  Al  Al144  1  0.069624  0.102334  0.332171  1
  Al  Al145  1  0.240418  0.760968  0.350231  1
  Al  Al146  1  0.739524  0.761448  0.350100  1
  Al  Al147  1  0.161303  0.419172  0.368575  1
  Al  Al148  1  0.082966  0.077028  0.387154  1
  Al  Al149  1  0.662769  0.418987  0.367999  1
  Al  Al150  1  0.319049  0.102311  0.332385  1
  Al  Al151  1  0.240980  0.510576  0.350199  1
  Al  Al152  1  0.740773  0.510566  0.350227  1
  Al  Al153  1  0.161778  0.169255  0.368930  1
  Al  Al154  1  0.082139  0.827603  0.387305  1
  Al  Al155  1  0.661664  0.169595  0.368496  1
  Al  Al156  1  0.319111  0.852546  0.332697  1
  Al  Al157  1  0.581901  0.577190  0.386501  1
  Al  Al158  1  0.082189  0.577303  0.386524  1
  Al  Al159  1  0.241337  0.260569  0.350426  1
  Al  Al160  1  0.161337  0.919099  0.368821  1
  Al  Al161  1  0.740822  0.261045  0.350229  1
  Al  Al162  1  0.660567  0.919260  0.368234  1
  Al  Al163  1  0.333356  0.577166  0.386435  1
  Al  Al164  1  0.832467  0.577420  0.386565  1
  Al  Al165  1  0.990913  0.260950  0.350467  1
  Al  Al166  1  0.911053  0.919603  0.368372  1
  Al  Al167  1  0.491207  0.260860  0.350228  1
  Al  Al168  1  0.411727  0.918984  0.368594  1
  Al  Al169  1  0.674314  0.643643  0.423696  1
  Al  Al170  1  0.174360  0.643511  0.423712  1
  Al  Al171  1  0.595107  0.302244  0.442527  1
  Al  Al172  1  0.253351  0.985486  0.405682  1
  Al  Al173  1  0.832517  0.327704  0.386752  1
  Al  Al174  1  0.753195  0.985559  0.405243  1
  Al  Al175  1  0.252562  0.735102  0.405555  1
  Al  Al176  1  0.753080  0.735562  0.405260  1
  Al  Al177  1  0.174463  0.393977  0.424346  1
  Al  Al178  1  0.831838  0.076891  0.386895  1
  Al  Al179  1  0.674076  0.393899  0.423974  1
  Al  Al180  1  0.332250  0.077119  0.387191  1
  Al  Al181  1  0.504245  0.735167  0.405459  1
  Al  Al182  1  0.003617  0.735561  0.405327  1
  Al  Al183  1  0.424471  0.393858  0.424067  1
  Al  Al184  1  0.345400  0.051818  0.442863  1
  Al  Al185  1  0.924213  0.394036  0.424196  1
  Al  Al186  1  0.583249  0.077087  0.386689  1
  Al  Al187  1  0.503514  0.485566  0.405096  1
  Al  Al188  1  0.003307  0.485722  0.405316  1
  Al  Al189  1  0.424502  0.143516  0.424101  1
  Al  Al190  1  0.345233  0.801712  0.443038  1
  Al  Al191  1  0.924333  0.143476  0.424241  1
  Al  Al192  1  0.582074  0.827805  0.386793  1
  Al  Al193  1  0.845086  0.552083  0.442493  1
  Al  Al194  1  0.345081  0.552074  0.442524  1
  Al  Al195  1  0.503333  0.235753  0.405649  1
  Al  Al196  1  0.424088  0.893894  0.424382  1
  Al  Al197  1  0.003414  0.235396  0.405947  1
  Al  Al198  1  0.923974  0.893677  0.424174  1
  Al  Al199  1  0.595334  0.552064  0.442463  1
  Al  Al200  1  0.095093  0.552131  0.442511  1
  Al  Al201  1  0.254307  0.235223  0.405881  1
  Al  Al202  1  0.174137  0.893834  0.424493  1
  Al  Al203  1  0.753140  0.235865  0.405649  1
  Al  Al204  1  0.674475  0.893776  0.424059  1
  Al  Al205  1  0.936941  0.618477  0.479653  1
  Al  Al206  1  0.436968  0.618420  0.479785  1
  Al  Al207  1  0.857887  0.276725  0.498307  1
  Al  Al208  1  0.516068  0.960222  0.461419  1
  Al  Al209  1  0.095315  0.301947  0.443112  1
  Al  Al210  1  0.016017  0.960188  0.461526  1
  Al  Al211  1  0.515766  0.710196  0.461189  1
  Al  Al212  1  0.015906  0.710057  0.461072  1
  Al  Al213  1  0.436824  0.368693  0.479818  1
  Al  Al214  1  0.095131  0.051778  0.442905  1
  Al  Al215  1  0.936990  0.368492  0.479889  1
  Al  Al216  1  0.595099  0.052020  0.442666  1
  Al  Al217  1  0.766191  0.710196  0.460987  1
  Al  Al218  1  0.266434  0.710109  0.461244  1
  Al  Al219  1  0.687037  0.368682  0.479717  1
  Al  Al220  1  0.608118  0.026580  0.498405  1
  Al  Al221  1  0.186936  0.368531  0.479965  1
  Al  Al222  1  0.845114  0.052019  0.442723  1
  Al  Al223  1  0.766022  0.460366  0.461231  1
  Al  Al224  1  0.266059  0.460393  0.461300  1
  Al  Al225  1  0.687033  0.118373  0.479808  1
  Al  Al226  1  0.607848  0.776641  0.498264  1
  Al  Al227  1  0.187100  0.118236  0.480126  1
  Al  Al228  1  0.845126  0.801964  0.442443  1
  Al  Al229  1  0.107757  0.526752  0.498320  1
  Al  Al230  1  0.607545  0.526797  0.498288  1
  Al  Al231  1  0.766146  0.210180  0.461186  1
  Al  Al232  1  0.686643  0.868493  0.479766  1
  Al  Al233  1  0.266028  0.210145  0.461479  1
  Al  Al234  1  0.186795  0.868323  0.480098  1
  Al  Al235  1  0.857882  0.526814  0.498276  1
  Al  Al236  1  0.358100  0.526771  0.498303  1
  Al  Al237  1  0.516306  0.210109  0.461213  1
  Al  Al238  1  0.437254  0.868289  0.479957  1
  Al  Al239  1  0.016053  0.210249  0.461442  1
  Al  Al240  1  0.937094  0.868581  0.479880  1
  Al  Al241  1  0.199659  0.593112  0.535396  1
  Al  Al242  1  0.699607  0.593134  0.535345  1
  Al  Al243  1  0.120815  0.251059  0.554318  1
  Al  Al244  1  0.778755  0.934917  0.516923  1
  Al  Al245  1  0.357958  0.276602  0.498537  1
  Al  Al246  1  0.278820  0.934792  0.517239  1
  Al  Al247  1  0.778650  0.684879  0.516748  1
  Al  Al248  1  0.278402  0.684761  0.517005  1
  Al  Al249  1  0.699526  0.343196  0.535367  1
  Al  Al250  1  0.357713  0.026631  0.498630  1
  Al  Al251  1  0.199831  0.343085  0.535639  1
  Al  Al252  1  0.857826  0.026475  0.498462  1
  Al  Al253  1  0.028971  0.684939  0.516839  1
  Al  Al254  1  0.529026  0.684726  0.516888  1
  Al  Al255  1  0.949692  0.343244  0.535546  1
  Al  Al256  1  0.870689  1.001372  0.554254  1
  Al  Al257  1  0.449799  0.343095  0.535430  1
  Al  Al258  1  0.108087  0.026579  0.498656  1
  Al  Al259  1  0.028746  0.435021  0.516938  1
  Al  Al260  1  0.528696  0.435090  0.516796  1
  Al  Al261  1  0.949863  0.092946  0.535578  1
  Al  Al262  1  0.870474  0.751477  0.553760  1
  Al  Al263  1  0.449757  0.093005  0.535572  1
  Al  Al264  1  0.107896  0.776565  0.498522  1
  Al  Al265  1  0.370308  0.501481  0.554094  1
  Al  Al266  1  0.870519  0.501413  0.554054  1
  Al  Al267  1  0.028990  0.184595  0.517064  1
  Al  Al268  1  0.949584  0.842985  0.535578  1
  Al  Al269  1  0.528733  0.184861  0.516923  1
  Al  Al270  1  0.449298  0.843175  0.535701  1
  Al  Al271  1  0.120580  0.501450  0.554070  1
  Al  Al272  1  0.620640  0.501487  0.554035  1
  Al  Al273  1  0.778810  0.184862  0.516840  1
  Al  Al274  1  0.699922  0.843132  0.535437  1
  Al  Al275  1  0.279097  0.184654  0.517118  1
  Al  Al276  1  0.199854  0.843064  0.535835  1
  Al  Al277  1  0.462188  0.567965  0.591517  1
  Al  Al278  1  0.962334  0.567820  0.591310  1
  Al  Al279  1  0.383717  0.225493  0.610158  1
  Al  Al280  1  0.041506  0.909746  0.573168  1
  Al  Al281  1  0.620665  0.251342  0.553709  1
  Al  Al282  1  0.541359  0.909635  0.572845  1
  Al  Al283  1  0.041403  0.659396  0.572515  1
  Al  Al284  1  0.541107  0.659596  0.572673  1
  Al  Al285  1  0.962805  0.317488  0.591096  1
  Al  Al286  1  0.620366  1.001375  0.554190  1
  Al  Al287  1  0.462144  0.317889  0.590967  1
  Al  Al288  1  0.120771  1.001139  0.554429  1
  Al  Al289  1  0.291683  0.659523  0.572729  1
  Al  Al290  1  0.791363  0.659483  0.572401  1
  Al  Al291  1  0.212448  0.317476  0.591196  1
  Al  Al292  1  0.134056  0.976150  0.610472  1
  Al  Al293  1  0.712792  0.317961  0.590848  1
  Al  Al294  1  0.370838  1.001181  0.554387  1
  Al  Al295  1  0.291412  0.409778  0.572651  1
  Al  Al296  1  0.791381  0.409895  0.572602  1
  Al  Al297  1  0.212553  0.067764  0.591844  1
  Al  Al298  1  0.133285  0.725432  0.610080  1
  Al  Al299  1  0.712430  0.067856  0.591410  1
  Al  Al300  1  0.370484  0.751185  0.554338  1
  Al  Al301  1  0.632209  0.476441  0.609883  1
  Al  Al302  1  0.132982  0.476198  0.609805  1
  Al  Al303  1  0.291372  0.159453  0.572909  1
  Al  Al304  1  0.211757  0.817700  0.591597  1
  Al  Al305  1  0.791918  0.159330  0.572484  1
  Al  Al306  1  0.711661  0.817988  0.591057  1
  Al  Al307  1  0.383845  0.476409  0.609854  1
  Al  Al308  1  0.883641  0.476336  0.609812  1
  Al  Al309  1  0.041729  0.159502  0.572818  1
  Al  Al310  1  0.962989  0.818147  0.591324  1
  Al  Al311  1  0.541678  0.159317  0.572574  1
  Al  Al312  1  0.462201  0.817436  0.591269  1
  Al  Al313  1  0.724834  0.542753  0.646778  1
  Al  Al314  1  0.225026  0.542821  0.646768  1
  Al  Al315  1  0.646099  0.201794  0.664289  1
  Al  Al316  1  0.303807  0.883760  0.628620  1
  Al  Al317  1  0.883592  0.225870  0.609573  1
  Al  Al318  1  0.804102  0.884031  0.628194  1
  Al  Al319  1  0.303139  0.634165  0.628658  1
  Al  Al320  1  0.804238  0.634151  0.628181  1
  Al  Al321  1  0.226014  0.292013  0.646610  1
  Al  Al322  1  0.882931  0.976025  0.610203  1
  Al  Al323  1  0.724958  0.292551  0.646354  1
  Al  Al324  1  0.382649  0.976152  0.610357  1
  Al  Al325  1  0.554705  0.634055  0.628471  1
  Al  Al326  1  0.054171  0.634311  0.628371  1
  Al  Al327  1  0.475217  0.292205  0.646452  1
  Al  Al328  1  0.396024  0.949540  0.666049  1
  Al  Al329  1  0.975653  0.292471  0.646520  1
  Al  Al330  1  0.633475  0.976135  0.609793  1
  Al  Al331  1  0.554500  0.383886  0.627967  1
  Al  Al332  1  0.054588  0.383805  0.628220  1
  Al  Al333  1  0.475137  0.042875  0.646695  1
  Al  Al334  1  0.396493  0.699208  0.665817  1
  Al  Al335  1  0.975733  0.042829  0.646688  1
  Al  Al336  1  0.633117  0.725872  0.609566  1
  Al  Al337  1  0.896568  0.450555  0.664820  1
  Al  Al338  1  0.396545  0.450622  0.664630  1
  Al  Al339  1  0.553898  0.134517  0.628581  1
  Al  Al340  1  0.474344  0.792078  0.646722  1
  Al  Al341  1  0.054373  0.134013  0.628725  1
  Al  Al342  1  0.975523  0.792131  0.646636  1
  Al  Al343  1  0.645892  0.450803  0.664673  1
  Al  Al344  1  0.145664  0.450391  0.664760  1
  Al  Al345  1  0.305212  0.134292  0.628937  1
  Al  Al346  1  0.224131  0.791916  0.646785  1
  Al  Al347  1  0.804557  0.134498  0.628265  1
  Al  Al348  1  0.725063  0.792513  0.646588  1
  Al  Al349  1  0.987925  0.516584  0.702487  1
  Al  Al350  1  0.488597  0.515985  0.702416  1
  Al  Al351  1  0.906988  0.175664  0.718536  1
  Al  Al352  1  0.565343  0.858379  0.684044  1
  Al  Al353  1  0.146674  0.200496  0.666011  1
  Al  Al354  1  0.066175  0.859307  0.684544  1
  Al  Al355  1  0.566611  0.609045  0.684576  1
  Al  Al356  1  0.067548  0.608595  0.684893  1
  Al  Al357  1  0.487677  0.268251  0.701822  1
  Al  Al358  1  0.146866  0.950242  0.666277  1
  Al  Al359  1  0.988890  0.266983  0.701101  1
  Al  Al360  1  0.646263  0.950946  0.664319  1
  Al  Al361  1  0.816341  0.608391  0.684064  1
  Al  Al362  1  0.316032  0.608878  0.684713  1
  Al  Al363  1  0.739698  0.268953  0.702064  1
  Al  Al364  1  0.657837  0.926378  0.716897  1
  Al  Al365  1  0.236966  0.267576  0.700862  1
  Al  Al366  1  0.896074  0.950977  0.666346  1
  Al  Al367  1  0.818004  0.358072  0.683641  1
  Al  Al368  1  0.317309  0.358013  0.683723  1
  Al  Al369  1  0.739260  0.017330  0.702035  1
  Al  Al370  1  0.660303  0.675526  0.718508  1
  Al  Al371  1  0.239650  0.015989  0.701721  1
  Al  Al372  1  0.895285  0.700963  0.664192  1
  Al  Al373  1  0.159289  0.424770  0.718139  1
  Al  Al374  1  0.659733  0.424670  0.718102  1
  Al  Al375  1  0.817374  0.109460  0.683807  1
  Al  Al376  1  0.734414  0.768325  0.701734  1
  Al  Al377  1  0.317672  0.109397  0.684682  1
  Al  Al378  1  0.238785  0.765916  0.700432  1
  Al  Al379  1  0.908672  0.424876  0.718096  1
  Al  Al380  1  0.408827  0.424587  0.718134  1
  Al  Al381  1  0.567058  0.109128  0.684740  1
  Al  Al382  1  0.487266  0.765657  0.700714  1
  Al  Al383  1  0.068698  0.110278  0.684451  1
  Al  Al384  1  0.986991  0.767409  0.701248  1
