# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.18903905
_cell_length_b   11.23456507
_cell_length_c   47.36231129
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.27587181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti192 Al384'
_cell_volume   19033.2155263
_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  0.835472  0.360323  0.279696  1
  Ti  Ti2  1  0.159145  0.208727  0.317407  1
  Ti  Ti3  1  0.497000  0.286482  0.297592  1
  Ti  Ti4  1  0.835472  0.860323  0.279696  1
  Ti  Ti5  1  0.159145  0.708727  0.317407  1
  Ti  Ti6  1  0.497000  0.786482  0.297592  1
  Ti  Ti7  1  0.882558  0.218197  0.314098  1
  Ti  Ti8  1  0.219084  0.299567  0.294990  1
  Ti  Ti9  1  0.556375  0.376983  0.276422  1
  Ti  Ti10  1  0.882558  0.718197  0.314098  1
  Ti  Ti11  1  0.219084  0.799567  0.294990  1
  Ti  Ti12  1  0.556375  0.876983  0.276422  1
  Ti  Ti13  1  0.666080  0.324910  0.287942  1
  Ti  Ti14  1  0.004608  0.402161  0.270870  1
  Ti  Ti15  1  0.328096  0.247189  0.308110  1
  Ti  Ti16  1  0.666080  0.824910  0.287942  1
  Ti  Ti17  1  0.004608  0.902161  0.270870  1
  Ti  Ti18  1  0.328096  0.747189  0.308110  1
  Ti  Ti19  1  0.725653  0.415213  0.266876  1
  Ti  Ti20  1  0.050976  0.261930  0.304783  1
  Ti  Ti21  1  0.386337  0.337513  0.285797  1
  Ti  Ti22  1  0.725653  0.915213  0.266876  1
  Ti  Ti23  1  0.050976  0.761930  0.304783  1
  Ti  Ti24  1  0.386337  0.837513  0.285797  1
  Ti  Ti25  1  0.822746  0.123611  0.337066  1
  Ti  Ti26  1  0.147185  0.968091  0.376484  1
  Ti  Ti27  1  0.484214  0.046320  0.356146  1
  Ti  Ti28  1  0.822746  0.623611  0.337066  1
  Ti  Ti29  1  0.147185  0.468091  0.376484  1
  Ti  Ti30  1  0.484214  0.546320  0.356146  1
  Ti  Ti31  1  0.870076  0.979695  0.373130  1
  Ti  Ti32  1  0.206738  0.060936  0.353117  1
  Ti  Ti33  1  0.544301  0.138429  0.333264  1
  Ti  Ti34  1  0.870076  0.479695  0.373130  1
  Ti  Ti35  1  0.206738  0.560936  0.353117  1
  Ti  Ti36  1  0.544301  0.638429  0.333264  1
  Ti  Ti37  1  0.653431  0.084916  0.346646  1
  Ti  Ti38  1  0.990366  0.167200  0.326692  1
  Ti  Ti39  1  0.315766  0.007275  0.366720  1
  Ti  Ti40  1  0.653431  0.584916  0.346646  1
  Ti  Ti41  1  0.990366  0.667200  0.326692  1
  Ti  Ti42  1  0.315766  0.507275  0.366720  1
  Ti  Ti43  1  0.713367  0.176788  0.323633  1
  Ti  Ti44  1  0.038301  0.021146  0.363448  1
  Ti  Ti45  1  0.375904  0.099850  0.343426  1
  Ti  Ti46  1  0.713367  0.676788  0.323633  1
  Ti  Ti47  1  0.038301  0.521146  0.363448  1
  Ti  Ti48  1  0.375904  0.599850  0.343426  1
  Ti  Ti49  1  0.809687  0.886353  0.396278  1
  Ti  Ti50  1  0.134776  0.728607  0.435513  1
  Ti  Ti51  1  0.472153  0.807510  0.415602  1
  Ti  Ti52  1  0.809687  0.386353  0.396278  1
  Ti  Ti53  1  0.134776  0.228607  0.435513  1
  Ti  Ti54  1  0.472153  0.307510  0.415602  1
  Ti  Ti55  1  0.857401  0.740926  0.432200  1
  Ti  Ti56  1  0.194792  0.821706  0.412657  1
  Ti  Ti57  1  0.532212  0.899962  0.392833  1
  Ti  Ti58  1  0.857401  0.240926  0.432200  1
  Ti  Ti59  1  0.194792  0.321706  0.412657  1
  Ti  Ti60  1  0.532212  0.399962  0.392833  1
  Ti  Ti61  1  0.640846  0.846682  0.405743  1
  Ti  Ti62  1  0.978286  0.927589  0.386753  1
  Ti  Ti63  1  0.303363  0.768276  0.425602  1
  Ti  Ti64  1  0.640846  0.346682  0.405743  1
  Ti  Ti65  1  0.978286  0.427589  0.386753  1
  Ti  Ti66  1  0.303363  0.268276  0.425602  1
  Ti  Ti67  1  0.701203  0.939192  0.383166  1
  Ti  Ti68  1  0.026133  0.781520  0.422454  1
  Ti  Ti69  1  0.363593  0.861001  0.402869  1
  Ti  Ti70  1  0.701203  0.439192  0.383166  1
  Ti  Ti71  1  0.026133  0.281520  0.422454  1
  Ti  Ti72  1  0.363593  0.361001  0.402869  1
  Ti  Ti73  1  0.797395  0.647688  0.455051  1
  Ti  Ti74  1  0.122458  0.489427  0.494467  1
  Ti  Ti75  1  0.459974  0.568409  0.474565  1
  Ti  Ti76  1  0.797395  0.147688  0.455051  1
  Ti  Ti77  1  0.122458  0.989427  0.494467  1
  Ti  Ti78  1  0.459974  0.068409  0.474565  1
  Ti  Ti79  1  0.845137  0.501992  0.491038  1
  Ti  Ti80  1  0.182496  0.582376  0.471484  1
  Ti  Ti81  1  0.519955  0.661092  0.451551  1
  Ti  Ti82  1  0.845137  0.001992  0.491038  1
  Ti  Ti83  1  0.182496  0.082376  0.471484  1
  Ti  Ti84  1  0.519955  0.161092  0.451551  1
  Ti  Ti85  1  0.628587  0.607890  0.464696  1
  Ti  Ti86  1  0.966146  0.688186  0.445288  1
  Ti  Ti87  1  0.291149  0.529098  0.484555  1
  Ti  Ti88  1  0.628587  0.107890  0.464696  1
  Ti  Ti89  1  0.966146  0.188186  0.445288  1
  Ti  Ti90  1  0.291149  0.029098  0.484555  1
  Ti  Ti91  1  0.688639  0.700642  0.441791  1
  Ti  Ti92  1  0.013890  0.542374  0.481386  1
  Ti  Ti93  1  0.351267  0.621872  0.461568  1
  Ti  Ti94  1  0.688639  0.200642  0.441791  1
  Ti  Ti95  1  0.013890  0.042374  0.481386  1
  Ti  Ti96  1  0.351267  0.121872  0.461568  1
  Ti  Ti97  1  0.784948  0.408900  0.513979  1
  Ti  Ti98  1  0.110185  0.250611  0.553561  1
  Ti  Ti99  1  0.447668  0.329439  0.533633  1
  Ti  Ti100  1  0.784948  0.908900  0.513979  1
  Ti  Ti101  1  0.110185  0.750611  0.553561  1
  Ti  Ti102  1  0.447668  0.829439  0.533633  1
  Ti  Ti103  1  0.832709  0.263099  0.550086  1
  Ti  Ti104  1  0.170143  0.343432  0.530557  1
  Ti  Ti105  1  0.507689  0.422170  0.510660  1
  Ti  Ti106  1  0.832709  0.763099  0.550086  1
  Ti  Ti107  1  0.170143  0.843432  0.530557  1
  Ti  Ti108  1  0.507689  0.922170  0.510660  1
  Ti  Ti109  1  0.616274  0.368956  0.523754  1
  Ti  Ti110  1  0.953740  0.449288  0.504357  1
  Ti  Ti111  1  0.278823  0.290071  0.543552  1
  Ti  Ti112  1  0.616274  0.868956  0.523754  1
  Ti  Ti113  1  0.953740  0.949288  0.504357  1
  Ti  Ti114  1  0.278823  0.790071  0.543552  1
  Ti  Ti115  1  0.676324  0.461822  0.500834  1
  Ti  Ti116  1  1.001498  0.303548  0.540356  1
  Ti  Ti117  1  0.338968  0.382861  0.520563  1
  Ti  Ti118  1  0.676324  0.961822  0.500834  1
  Ti  Ti119  1  1.001498  0.803548  0.540356  1
  Ti  Ti120  1  0.338968  0.882861  0.520563  1
  Ti  Ti121  1  0.772677  0.169802  0.572884  1
  Ti  Ti122  1  0.097766  0.012088  0.612265  1
  Ti  Ti123  1  0.435386  0.090353  0.592450  1
  Ti  Ti124  1  0.772677  0.669802  0.572884  1
  Ti  Ti125  1  0.097766  0.512088  0.612265  1
  Ti  Ti126  1  0.435386  0.590353  0.592450  1
  Ti  Ti127  1  0.820556  0.023713  0.608599  1
  Ti  Ti128  1  0.157902  0.104510  0.589512  1
  Ti  Ti129  1  0.495520  0.182985  0.569656  1
  Ti  Ti130  1  0.820556  0.523713  0.608599  1
  Ti  Ti131  1  0.157902  0.604510  0.589512  1
  Ti  Ti132  1  0.495520  0.682985  0.569656  1
  Ti  Ti133  1  0.603984  0.129663  0.582623  1
  Ti  Ti134  1  0.941482  0.210347  0.563194  1
  Ti  Ti135  1  0.266443  0.051131  0.602251  1
  Ti  Ti136  1  0.603984  0.629663  0.582623  1
  Ti  Ti137  1  0.941482  0.710347  0.563194  1
  Ti  Ti138  1  0.266443  0.551131  0.602251  1
  Ti  Ti139  1  0.664004  0.222705  0.559778  1
  Ti  Ti140  1  0.989215  0.064919  0.599124  1
  Ti  Ti141  1  0.326692  0.143854  0.579474  1
  Ti  Ti142  1  0.664004  0.722705  0.559778  1
  Ti  Ti143  1  0.989215  0.564919  0.599124  1
  Ti  Ti144  1  0.326692  0.643854  0.579474  1
  Ti  Ti145  1  0.760508  0.930211  0.631866  1
  Ti  Ti146  1  0.085611  0.774445  0.671780  1
  Ti  Ti147  1  0.423276  0.851318  0.651843  1
  Ti  Ti148  1  0.760508  0.430211  0.631866  1
  Ti  Ti149  1  0.085611  0.274445  0.671780  1
  Ti  Ti150  1  0.423276  0.351318  0.651843  1
  Ti  Ti151  1  0.808449  0.784138  0.668636  1
  Ti  Ti152  1  0.145750  0.866149  0.648980  1
  Ti  Ti153  1  0.483088  0.944128  0.628684  1
  Ti  Ti154  1  0.808449  0.284138  0.668636  1
  Ti  Ti155  1  0.145750  0.366149  0.648980  1
  Ti  Ti156  1  0.483088  0.444128  0.628684  1
  Ti  Ti157  1  0.592035  0.890507  0.642198  1
  Ti  Ti158  1  0.928793  0.971595  0.622254  1
  Ti  Ti159  1  0.254074  0.812511  0.661701  1
  Ti  Ti160  1  0.592035  0.390507  0.642198  1
  Ti  Ti161  1  0.928793  0.471595  0.622254  1
  Ti  Ti162  1  0.254074  0.312511  0.661701  1
  Ti  Ti163  1  0.651593  0.983306  0.618809  1
  Ti  Ti164  1  0.976150  0.827662  0.658311  1
  Ti  Ti165  1  0.314273  0.905056  0.638358  1
  Ti  Ti166  1  0.651593  0.483306  0.618809  1
  Ti  Ti167  1  0.976150  0.327662  0.658311  1
  Ti  Ti168  1  0.314273  0.405056  0.638358  1
  Ti  Ti169  1  0.747820  0.689448  0.690527  1
  Ti  Ti170  1  0.073228  0.536027  0.728512  1
  Ti  Ti171  1  0.410956  0.613167  0.710044  1
  Ti  Ti172  1  0.747820  0.189448  0.690527  1
  Ti  Ti173  1  0.073228  0.036027  0.728512  1
  Ti  Ti174  1  0.410956  0.113167  0.710044  1
  Ti  Ti175  1  0.794200  0.549184  0.724451  1
  Ti  Ti176  1  0.132801  0.626331  0.707466  1
  Ti  Ti177  1  0.470759  0.704440  0.687310  1
  Ti  Ti178  1  0.794200  0.049184  0.724451  1
  Ti  Ti179  1  0.132801  0.126331  0.707466  1
  Ti  Ti180  1  0.470759  0.204440  0.687310  1
  Ti  Ti181  1  0.579783  0.652063  0.700312  1
  Ti  Ti182  1  0.916304  0.733095  0.681275  1
  Ti  Ti183  1  0.243679  0.574975  0.719288  1
  Ti  Ti184  1  0.579783  0.152063  0.700312  1
  Ti  Ti185  1  0.916304  0.233095  0.681275  1
  Ti  Ti186  1  0.243679  0.074975  0.719288  1
  Ti  Ti187  1  0.639669  0.742705  0.677875  1
  Ti  Ti188  1  0.963448  0.590920  0.715667  1
  Ti  Ti189  1  0.301939  0.665285  0.696968  1
  Ti  Ti190  1  0.639669  0.242705  0.677875  1
  Ti  Ti191  1  0.963448  0.090920  0.715667  1
  Ti  Ti192  1  0.301939  0.165285  0.696968  1
  Al  Al193  1  0.605474  0.231028  0.310874  1
  Al  Al194  1  0.942179  0.312003  0.290646  1
  Al  Al195  1  0.279955  0.394106  0.274562  1
  Al  Al196  1  0.605474  0.731028  0.310874  1
  Al  Al197  1  0.942179  0.812003  0.290646  1
  Al  Al198  1  0.279955  0.894106  0.274562  1
  Al  Al199  1  0.605295  0.481494  0.310792  1
  Al  Al200  1  0.942950  0.563181  0.290952  1
  Al  Al201  1  0.279668  0.646767  0.274512  1
  Al  Al202  1  0.605295  0.981494  0.310792  1
  Al  Al203  1  0.942950  0.063181  0.290952  1
  Al  Al204  1  0.279668  0.146767  0.274512  1
  Al  Al205  1  0.883392  0.467980  0.314398  1
  Al  Al206  1  0.218463  0.550618  0.294463  1
  Al  Al207  1  0.557187  0.627778  0.276146  1
  Al  Al208  1  0.883392  0.967980  0.314398  1
  Al  Al209  1  0.218463  0.050618  0.294463  1
  Al  Al210  1  0.557187  0.127778  0.276146  1
  Al  Al211  1  0.835287  0.611496  0.279466  1
  Al  Al212  1  0.158716  0.458528  0.317345  1
  Al  Al213  1  0.495742  0.537152  0.297263  1
  Al  Al214  1  0.835287  0.111496  0.279466  1
  Al  Al215  1  0.158716  0.958528  0.317345  1
  Al  Al216  1  0.495742  0.037152  0.297263  1
  Al  Al217  1  0.774545  0.268218  0.301271  1
  Al  Al218  1  0.110649  0.355981  0.283409  1
  Al  Al219  1  0.436243  0.192525  0.320162  1
  Al  Al220  1  0.774545  0.768218  0.301271  1
  Al  Al221  1  0.110649  0.855981  0.283409  1
  Al  Al222  1  0.436243  0.692525  0.320162  1
  Al  Al223  1  0.774636  0.519900  0.301153  1
  Al  Al224  1  0.110748  0.609012  0.283429  1
  Al  Al225  1  0.435983  0.442631  0.320072  1
  Al  Al226  1  0.774636  0.019900  0.301153  1
  Al  Al227  1  0.110748  0.109012  0.283429  1
  Al  Al228  1  0.435983  0.942631  0.320072  1
  Al  Al229  1  0.726339  0.666016  0.266545  1
  Al  Al230  1  0.051968  0.511639  0.305145  1
  Al  Al231  1  0.386770  0.588486  0.285648  1
  Al  Al232  1  0.726339  0.166016  0.266545  1
  Al  Al233  1  0.051968  0.011639  0.305145  1
  Al  Al234  1  0.386770  0.088486  0.285648  1
  Al  Al235  1  0.664888  0.575481  0.287668  1
  Al  Al236  1  0.004794  0.653277  0.269851  1
  Al  Al237  1  0.327163  0.497768  0.308067  1
  Al  Al238  1  0.664888  0.075481  0.287668  1
  Al  Al239  1  0.004794  0.153277  0.269851  1
  Al  Al240  1  0.327163  0.997768  0.308067  1
  Al  Al241  1  0.592705  0.992884  0.369582  1
  Al  Al242  1  0.930529  0.073387  0.350373  1
  Al  Al243  1  0.267311  0.154352  0.331168  1
  Al  Al244  1  0.592705  0.492884  0.369582  1
  Al  Al245  1  0.930529  0.573387  0.350373  1
  Al  Al246  1  0.267311  0.654352  0.331168  1
  Al  Al247  1  0.592715  0.242110  0.369597  1
  Al  Al248  1  0.930437  0.322848  0.350328  1
  Al  Al249  1  0.267202  0.403990  0.331059  1
  Al  Al250  1  0.592715  0.742110  0.369597  1
  Al  Al251  1  0.930437  0.822848  0.350328  1
  Al  Al252  1  0.267202  0.903990  0.331059  1
  Al  Al253  1  0.870210  0.229543  0.373203  1
  Al  Al254  1  0.207236  0.310756  0.353767  1
  Al  Al255  1  0.544709  0.388490  0.334440  1
  Al  Al256  1  0.870210  0.729543  0.373203  1
  Al  Al257  1  0.207236  0.810756  0.353767  1
  Al  Al258  1  0.544709  0.888490  0.334440  1
  Al  Al259  1  0.822044  0.374139  0.337778  1
  Al  Al260  1  0.146911  0.218239  0.376516  1
  Al  Al261  1  0.484185  0.296361  0.356599  1
  Al  Al262  1  0.822044  0.874139  0.337778  1
  Al  Al263  1  0.146911  0.718239  0.376516  1
  Al  Al264  1  0.484185  0.796361  0.356599  1
  Al  Al265  1  0.761752  0.032101  0.359966  1
  Al  Al266  1  0.098954  0.115464  0.341047  1
  Al  Al267  1  0.424025  0.953672  0.379507  1
  Al  Al268  1  0.761752  0.532101  0.359966  1
  Al  Al269  1  0.098954  0.615464  0.341047  1
  Al  Al270  1  0.424025  0.453672  0.379507  1
  Al  Al271  1  0.761743  0.280868  0.360001  1
  Al  Al272  1  0.098916  0.364590  0.341035  1
  Al  Al273  1  0.424043  0.203540  0.379516  1
  Al  Al274  1  0.761743  0.780868  0.360001  1
  Al  Al275  1  0.098916  0.864590  0.341035  1
  Al  Al276  1  0.424043  0.703540  0.379516  1
  Al  Al277  1  0.713868  0.426875  0.324813  1
  Al  Al278  1  0.038327  0.270714  0.363472  1
  Al  Al279  1  0.376120  0.349902  0.344339  1
  Al  Al280  1  0.713868  0.926875  0.324813  1
  Al  Al281  1  0.038327  0.770714  0.363472  1
  Al  Al282  1  0.376120  0.849902  0.344339  1
  Al  Al283  1  0.653293  0.335016  0.346946  1
  Al  Al284  1  0.989903  0.417294  0.328185  1
  Al  Al285  1  0.315580  0.257270  0.366795  1
  Al  Al286  1  0.653293  0.835016  0.346946  1
  Al  Al287  1  0.989903  0.917294  0.328185  1
  Al  Al288  1  0.315580  0.757270  0.366795  1
  Al  Al289  1  0.580438  0.753688  0.428641  1
  Al  Al290  1  0.917880  0.833958  0.409354  1
  Al  Al291  1  0.255074  0.914991  0.389564  1
  Al  Al292  1  0.580438  0.253688  0.428641  1
  Al  Al293  1  0.917880  0.333958  0.409354  1
  Al  Al294  1  0.255074  0.414991  0.389564  1
  Al  Al295  1  0.580439  0.004054  0.428641  1
  Al  Al296  1  0.917877  0.084332  0.409351  1
  Al  Al297  1  0.255101  0.164250  0.389587  1
  Al  Al298  1  0.580439  0.504054  0.428641  1
  Al  Al299  1  0.917877  0.584332  0.409351  1
  Al  Al300  1  0.255101  0.664250  0.389587  1
  Al  Al301  1  0.857735  0.990715  0.432133  1
  Al  Al302  1  0.195079  0.071613  0.412450  1
  Al  Al303  1  0.532308  0.149778  0.392431  1
  Al  Al304  1  0.857735  0.490715  0.432133  1
  Al  Al305  1  0.195079  0.571613  0.412450  1
  Al  Al306  1  0.532308  0.649778  0.392431  1
  Al  Al307  1  0.809634  0.136406  0.396036  1
  Al  Al308  1  0.134490  0.978784  0.435462  1
  Al  Al309  1  0.471928  0.057637  0.415419  1
  Al  Al310  1  0.809634  0.636406  0.396036  1
  Al  Al311  1  0.134490  0.478784  0.435462  1
  Al  Al312  1  0.471928  0.557637  0.415419  1
  Al  Al313  1  0.749256  0.793175  0.419028  1
  Al  Al314  1  0.086579  0.874952  0.399516  1
  Al  Al315  1  0.411797  0.714527  0.438638  1
  Al  Al316  1  0.749256  0.293175  0.419028  1
  Al  Al317  1  0.086579  0.374952  0.399516  1
  Al  Al318  1  0.411797  0.214527  0.438638  1
  Al  Al319  1  0.749247  0.043716  0.419017  1
  Al  Al320  1  0.086593  0.124790  0.399522  1
  Al  Al321  1  0.411792  0.964794  0.438636  1
  Al  Al322  1  0.749247  0.543716  0.419017  1
  Al  Al323  1  0.086593  0.624790  0.399522  1
  Al  Al324  1  0.411792  0.464794  0.438636  1
  Al  Al325  1  0.701300  0.189098  0.382802  1
  Al  Al326  1  0.026475  0.031406  0.422461  1
  Al  Al327  1  0.363830  0.110947  0.402598  1
  Al  Al328  1  0.701300  0.689098  0.382802  1
  Al  Al329  1  0.026475  0.531406  0.422461  1
  Al  Al330  1  0.363830  0.610947  0.402598  1
  Al  Al331  1  0.640706  0.096762  0.405659  1
  Al  Al332  1  0.978139  0.177774  0.386196  1
  Al  Al333  1  0.303182  0.018371  0.425595  1
  Al  Al334  1  0.640706  0.596762  0.405659  1
  Al  Al335  1  0.978139  0.677774  0.386196  1
  Al  Al336  1  0.303182  0.518371  0.425595  1
  Al  Al337  1  0.568121  0.515043  0.487652  1
  Al  Al338  1  0.905637  0.595184  0.468244  1
  Al  Al339  1  0.242959  0.675322  0.448586  1
  Al  Al340  1  0.568121  0.015043  0.487652  1
  Al  Al341  1  0.905637  0.095184  0.468244  1
  Al  Al342  1  0.242959  0.175322  0.448586  1
  Al  Al343  1  0.568123  0.765016  0.487651  1
  Al  Al344  1  0.905626  0.844997  0.468244  1
  Al  Al345  1  0.242971  0.925405  0.448581  1
  Al  Al346  1  0.568123  0.265016  0.487651  1
  Al  Al347  1  0.905626  0.344997  0.468244  1
  Al  Al348  1  0.242971  0.425405  0.448581  1
  Al  Al349  1  0.845325  0.751864  0.491144  1
  Al  Al350  1  0.182746  0.832257  0.471599  1
  Al  Al351  1  0.520200  0.910983  0.451706  1
  Al  Al352  1  0.845325  0.251864  0.491144  1
  Al  Al353  1  0.182746  0.332257  0.471599  1
  Al  Al354  1  0.520200  0.410983  0.451706  1
  Al  Al355  1  0.797070  0.897915  0.455101  1
  Al  Al356  1  0.122220  0.739537  0.494502  1
  Al  Al357  1  0.459707  0.818501  0.474602  1
  Al  Al358  1  0.797070  0.397915  0.455101  1
  Al  Al359  1  0.122220  0.239537  0.494502  1
  Al  Al360  1  0.459707  0.318501  0.474602  1
  Al  Al361  1  0.736803  0.554859  0.477906  1
  Al  Al362  1  0.074325  0.635569  0.458476  1
  Al  Al363  1  0.399483  0.475656  0.497591  1
  Al  Al364  1  0.736803  0.054859  0.477906  1
  Al  Al365  1  0.074325  0.135569  0.458476  1
  Al  Al366  1  0.399483  0.975656  0.497591  1
  Al  Al367  1  0.736807  0.804691  0.477910  1
  Al  Al368  1  0.074319  0.885414  0.458472  1
  Al  Al369  1  0.399481  0.725621  0.497591  1
  Al  Al370  1  0.736807  0.304691  0.477910  1
  Al  Al371  1  0.074319  0.385414  0.458472  1
  Al  Al372  1  0.399481  0.225621  0.497591  1
  Al  Al373  1  0.688873  0.950456  0.441931  1
  Al  Al374  1  0.014077  0.792236  0.481421  1
  Al  Al375  1  0.351470  0.871748  0.461688  1
  Al  Al376  1  0.688873  0.450456  0.441931  1
  Al  Al377  1  0.014077  0.292236  0.481421  1
  Al  Al378  1  0.351470  0.371748  0.461688  1
  Al  Al379  1  0.628334  0.858012  0.464730  1
  Al  Al380  1  0.965814  0.938399  0.445486  1
  Al  Al381  1  0.290924  0.779167  0.484559  1
  Al  Al382  1  0.628334  0.358012  0.464730  1
  Al  Al383  1  0.965814  0.438399  0.445486  1
  Al  Al384  1  0.290924  0.279167  0.484559  1
  Al  Al385  1  0.555855  0.276002  0.546658  1
  Al  Al386  1  0.893239  0.356097  0.527154  1
  Al  Al387  1  0.230642  0.436239  0.507536  1
  Al  Al388  1  0.555855  0.776002  0.546658  1
  Al  Al389  1  0.893239  0.856097  0.527154  1
  Al  Al390  1  0.230642  0.936239  0.507536  1
  Al  Al391  1  0.555848  0.525891  0.546662  1
  Al  Al392  1  0.893249  0.606281  0.527153  1
  Al  Al393  1  0.230641  0.686264  0.507535  1
  Al  Al394  1  0.555848  0.025891  0.546662  1
  Al  Al395  1  0.893249  0.106281  0.527153  1
  Al  Al396  1  0.230641  0.186264  0.507535  1
  Al  Al397  1  0.833029  0.512892  0.549886  1
  Al  Al398  1  0.170423  0.593300  0.530514  1
  Al  Al399  1  0.507943  0.672081  0.510629  1
  Al  Al400  1  0.833029  0.012892  0.549886  1
  Al  Al401  1  0.170423  0.093300  0.530514  1
  Al  Al402  1  0.507943  0.172081  0.510629  1
  Al  Al403  1  0.784768  0.659039  0.513949  1
  Al  Al404  1  0.109904  0.500759  0.553409  1
  Al  Al405  1  0.447450  0.579577  0.533536  1
  Al  Al406  1  0.784768  0.159039  0.513949  1
  Al  Al407  1  0.109904  1.000759  0.553409  1
  Al  Al408  1  0.447450  0.079577  0.533536  1
  Al  Al409  1  0.724474  0.315731  0.536845  1
  Al  Al410  1  0.062029  0.396393  0.517452  1
  Al  Al411  1  0.387170  0.236659  0.556528  1
  Al  Al412  1  0.724474  0.815731  0.536845  1
  Al  Al413  1  0.062029  0.896393  0.517452  1
  Al  Al414  1  0.387170  0.736659  0.556528  1
  Al  Al415  1  0.724480  0.565870  0.536849  1
  Al  Al416  1  0.062026  0.646560  0.517450  1
  Al  Al417  1  0.387169  0.486590  0.556532  1
  Al  Al418  1  0.724480  0.065870  0.536849  1
  Al  Al419  1  0.062026  0.146560  0.517450  1
  Al  Al420  1  0.387169  0.986590  0.556532  1
  Al  Al421  1  0.676547  0.711700  0.500796  1
  Al  Al422  1  1.001818  0.553331  0.540294  1
  Al  Al423  1  0.339187  0.632799  0.520552  1
  Al  Al424  1  0.676547  0.211700  0.500796  1
  Al  Al425  1  1.001818  0.053331  0.540294  1
  Al  Al426  1  0.339187  0.132799  0.520552  1
  Al  Al427  1  0.616030  0.619076  0.523664  1
  Al  Al428  1  0.953552  0.699425  0.504249  1
  Al  Al429  1  0.278615  0.540190  0.543426  1
  Al  Al430  1  0.616030  0.119076  0.523664  1
  Al  Al431  1  0.953552  0.199425  0.504249  1
  Al  Al432  1  0.278615  0.040190  0.543426  1
  Al  Al433  1  0.543737  0.036343  0.605741  1
  Al  Al434  1  0.880984  0.117332  0.586024  1
  Al  Al435  1  0.218274  0.197476  0.566491  1
  Al  Al436  1  0.543737  0.536343  0.605741  1
  Al  Al437  1  0.880984  0.617332  0.586024  1
  Al  Al438  1  0.218274  0.697476  0.566491  1
  Al  Al439  1  0.543705  0.287148  0.605723  1
  Al  Al440  1  0.880987  0.366955  0.586027  1
  Al  Al441  1  0.218283  0.447177  0.566494  1
  Al  Al442  1  0.543705  0.787148  0.605723  1
  Al  Al443  1  0.880987  0.866955  0.586027  1
  Al  Al444  1  0.218283  0.947177  0.566494  1
  Al  Al445  1  0.820690  0.273530  0.609152  1
  Al  Al446  1  0.158116  0.354416  0.589711  1
  Al  Al447  1  0.495700  0.432898  0.569692  1
  Al  Al448  1  0.820690  0.773530  0.609152  1
  Al  Al449  1  0.158116  0.854416  0.589711  1
  Al  Al450  1  0.495700  0.932898  0.569692  1
  Al  Al451  1  0.772350  0.419912  0.572879  1
  Al  Al452  1  0.097729  0.262279  0.612659  1
  Al  Al453  1  0.435172  0.340419  0.592637  1
  Al  Al454  1  0.772350  0.919912  0.572879  1
  Al  Al455  1  0.097729  0.762279  0.612659  1
  Al  Al456  1  0.435172  0.840419  0.592637  1
  Al  Al457  1  0.712209  0.076389  0.595788  1
  Al  Al458  1  0.049657  0.158086  0.576407  1
  Al  Al459  1  0.374976  0.997234  0.615460  1
  Al  Al460  1  0.712209  0.576389  0.595788  1
  Al  Al461  1  0.049657  0.658086  0.576407  1
  Al  Al462  1  0.374976  0.497234  0.615460  1
  Al  Al463  1  0.712195  0.326565  0.595783  1
  Al  Al464  1  0.049658  0.407527  0.576416  1
  Al  Al465  1  0.374956  0.247945  0.615437  1
  Al  Al466  1  0.712195  0.826565  0.595783  1
  Al  Al467  1  0.049658  0.907527  0.576416  1
  Al  Al468  1  0.374956  0.747945  0.615437  1
  Al  Al469  1  0.664275  0.472523  0.559826  1
  Al  Al470  1  0.989256  0.314870  0.599361  1
  Al  Al471  1  0.326875  0.393769  0.579499  1
  Al  Al472  1  0.664275  0.972523  0.559826  1
  Al  Al473  1  0.989256  0.814870  0.599361  1
  Al  Al474  1  0.326875  0.893769  0.579499  1
  Al  Al475  1  0.603707  0.379749  0.582830  1
  Al  Al476  1  0.941155  0.460561  0.563262  1
  Al  Al477  1  0.266213  0.301177  0.602522  1
  Al  Al478  1  0.603707  0.879749  0.582830  1
  Al  Al479  1  0.941155  0.960561  0.563262  1
  Al  Al480  1  0.266213  0.801177  0.602522  1
  Al  Al481  1  0.531442  0.797382  0.664235  1
  Al  Al482  1  0.868321  0.877916  0.644991  1
  Al  Al483  1  0.205987  0.958584  0.625630  1
  Al  Al484  1  0.531442  0.297382  0.664235  1
  Al  Al485  1  0.868321  0.377916  0.644991  1
  Al  Al486  1  0.205987  0.458584  0.625630  1
  Al  Al487  1  0.531579  0.047424  0.664342  1
  Al  Al488  1  0.868412  0.128455  0.645036  1
  Al  Al489  1  0.205954  0.208702  0.625621  1
  Al  Al490  1  0.531579  0.547424  0.664342  1
  Al  Al491  1  0.868412  0.628455  0.645036  1
  Al  Al492  1  0.205954  0.708702  0.625621  1
  Al  Al493  1  0.808906  0.034043  0.667145  1
  Al  Al494  1  0.145750  0.116092  0.648502  1
  Al  Al495  1  0.483382  0.193922  0.628543  1
  Al  Al496  1  0.808906  0.534043  0.667145  1
  Al  Al497  1  0.145750  0.616092  0.648502  1
  Al  Al498  1  0.483382  0.693922  0.628543  1
  Al  Al499  1  0.760487  0.180634  0.631849  1
  Al  Al500  1  0.085119  0.024284  0.670582  1
  Al  Al501  1  0.422776  0.101444  0.651223  1
  Al  Al502  1  0.760487  0.680634  0.631849  1
  Al  Al503  1  0.085119  0.524284  0.670582  1
  Al  Al504  1  0.422776  0.601444  0.651223  1
  Al  Al505  1  0.699852  0.835928  0.654245  1
  Al  Al506  1  0.037181  0.919152  0.635437  1
  Al  Al507  1  0.362724  0.758058  0.673873  1
  Al  Al508  1  0.699852  0.335928  0.654245  1
  Al  Al509  1  0.037181  0.419152  0.635437  1
  Al  Al510  1  0.362724  0.258058  0.673873  1
  Al  Al511  1  0.699886  0.086793  0.654258  1
  Al  Al512  1  0.037200  0.170416  0.635399  1
  Al  Al513  1  0.362844  0.008432  0.673991  1
  Al  Al514  1  0.699886  0.586793  0.654258  1
  Al  Al515  1  0.037200  0.670416  0.635399  1
  Al  Al516  1  0.362844  0.508432  0.673991  1
  Al  Al517  1  0.651861  0.233167  0.618771  1
  Al  Al518  1  0.976844  0.077143  0.657601  1
  Al  Al519  1  0.314436  0.155084  0.638289  1
  Al  Al520  1  0.651861  0.733167  0.618771  1
  Al  Al521  1  0.976844  0.577143  0.657601  1
  Al  Al522  1  0.314436  0.655084  0.638289  1
  Al  Al523  1  0.591536  0.140697  0.641531  1
  Al  Al524  1  0.928667  0.221741  0.622181  1
  Al  Al525  1  0.253892  0.062437  0.660768  1
  Al  Al526  1  0.591536  0.640697  0.641531  1
  Al  Al527  1  0.928667  0.721741  0.622181  1
  Al  Al528  1  0.253892  0.562437  0.660768  1
  Al  Al529  1  0.519036  0.557420  0.720791  1
  Al  Al530  1  0.856637  0.639329  0.704680  1
  Al  Al531  1  0.193684  0.720024  0.684991  1
  Al  Al532  1  0.519036  0.057420  0.720791  1
  Al  Al533  1  0.856637  0.139329  0.704680  1
  Al  Al534  1  0.193684  0.220024  0.684991  1
  Al  Al535  1  0.519227  0.805033  0.720809  1
  Al  Al536  1  0.855870  0.888144  0.704376  1
  Al  Al537  1  0.193945  0.969927  0.685071  1
  Al  Al538  1  0.519227  0.305033  0.720809  1
  Al  Al539  1  0.855870  0.388144  0.704376  1
  Al  Al540  1  0.193945  0.469927  0.685071  1
  Al  Al541  1  0.794006  0.798070  0.725469  1
  Al  Al542  1  0.134049  0.875738  0.707842  1
  Al  Al543  1  0.471144  0.954538  0.687553  1
  Al  Al544  1  0.794006  0.298070  0.725469  1
  Al  Al545  1  0.134049  0.375738  0.707842  1
  Al  Al546  1  0.471144  0.454538  0.687553  1
  Al  Al547  1  0.746837  0.939737  0.690167  1
  Al  Al548  1  0.072536  0.785227  0.728856  1
  Al  Al549  1  0.411562  0.862076  0.710533  1
  Al  Al550  1  0.746837  0.439737  0.690167  1
  Al  Al551  1  0.072536  0.285227  0.728856  1
  Al  Al552  1  0.411562  0.362076  0.710533  1
  Al  Al553  1  0.688135  0.595431  0.711888  1
  Al  Al554  1  0.024383  0.683027  0.694088  1
  Al  Al555  1  0.350120  0.518446  0.730489  1
  Al  Al556  1  0.688135  0.095431  0.711888  1
  Al  Al557  1  0.024383  0.183027  0.694088  1
  Al  Al558  1  0.350120  0.018446  0.730489  1
  Al  Al559  1  0.688048  0.842404  0.711870  1
  Al  Al560  1  0.024285  0.931326  0.694211  1
  Al  Al561  1  0.350373  0.765829  0.730540  1
  Al  Al562  1  0.688048  0.342404  0.711870  1
  Al  Al563  1  0.024285  0.431326  0.694211  1
  Al  Al564  1  0.350373  0.265829  0.730540  1
  Al  Al565  1  0.640098  0.992911  0.677940  1
  Al  Al566  1  0.963614  0.839744  0.715898  1
  Al  Al567  1  0.302860  0.914718  0.697007  1
  Al  Al568  1  0.640098  0.492911  0.677940  1
  Al  Al569  1  0.963614  0.339744  0.715898  1
  Al  Al570  1  0.302860  0.414718  0.697007  1
  Al  Al571  1  0.580430  0.900967  0.700869  1
  Al  Al572  1  0.915486  0.983303  0.680981  1
  Al  Al573  1  0.243256  0.823989  0.719456  1
  Al  Al574  1  0.580430  0.400967  0.700869  1
  Al  Al575  1  0.915486  0.483303  0.680981  1
  Al  Al576  1  0.243256  0.323989  0.719456  1
