# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.82501532
_cell_length_b   14.38073215
_cell_length_c   47.77884001
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.04844136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti168 Al336'
_cell_volume   16800.4984412
_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  0.673874  0.040974  0.300421  1
  Ti  Ti2  1  0.173874  0.040974  0.300421  1
  Ti  Ti3  1  0.687154  0.421027  0.280804  1
  Ti  Ti4  1  0.662218  0.659070  0.323530  1
  Ti  Ti5  1  0.187154  0.421027  0.280804  1
  Ti  Ti6  1  0.162218  0.659070  0.323530  1
  Ti  Ti7  1  0.768807  0.082189  0.279824  1
  Ti  Ti8  1  0.268807  0.082189  0.279824  1
  Ti  Ti9  1  0.744926  0.326581  0.322613  1
  Ti  Ti10  1  0.757961  0.706268  0.301003  1
  Ti  Ti11  1  0.244926  0.326581  0.322613  1
  Ti  Ti12  1  0.257961  0.706268  0.301003  1
  Ti  Ti13  1  0.423874  0.040974  0.300421  1
  Ti  Ti14  1  0.923874  0.040974  0.300421  1
  Ti  Ti15  1  0.437154  0.421027  0.280804  1
  Ti  Ti16  1  0.412218  0.659070  0.323530  1
  Ti  Ti17  1  0.937154  0.421027  0.280804  1
  Ti  Ti18  1  0.912218  0.659070  0.323530  1
  Ti  Ti19  1  0.518807  0.082189  0.279824  1
  Ti  Ti20  1  0.018807  0.082189  0.279824  1
  Ti  Ti21  1  0.494926  0.326581  0.322613  1
  Ti  Ti22  1  0.507961  0.706268  0.301003  1
  Ti  Ti23  1  0.994926  0.326581  0.322613  1
  Ti  Ti24  1  0.007961  0.706268  0.301003  1
  Ti  Ti25  1  0.638519  0.900334  0.367656  1
  Ti  Ti26  1  0.138519  0.900334  0.367656  1
  Ti  Ti27  1  0.649181  0.280699  0.344037  1
  Ti  Ti28  1  0.625657  0.521038  0.390211  1
  Ti  Ti29  1  0.149181  0.280699  0.344037  1
  Ti  Ti30  1  0.125657  0.521038  0.390211  1
  Ti  Ti31  1  0.732813  0.947068  0.344654  1
  Ti  Ti32  1  0.232813  0.947068  0.344654  1
  Ti  Ti33  1  0.708671  0.187681  0.389629  1
  Ti  Ti34  1  0.720884  0.567278  0.367771  1
  Ti  Ti35  1  0.208671  0.187681  0.389629  1
  Ti  Ti36  1  0.220884  0.567278  0.367771  1
  Ti  Ti37  1  0.388519  0.900334  0.367656  1
  Ti  Ti38  1  0.888519  0.900334  0.367656  1
  Ti  Ti39  1  0.399181  0.280699  0.344037  1
  Ti  Ti40  1  0.375657  0.521038  0.390211  1
  Ti  Ti41  1  0.899181  0.280699  0.344037  1
  Ti  Ti42  1  0.875657  0.521038  0.390211  1
  Ti  Ti43  1  0.482813  0.947068  0.344654  1
  Ti  Ti44  1  0.982813  0.947068  0.344654  1
  Ti  Ti45  1  0.458671  0.187681  0.389629  1
  Ti  Ti46  1  0.470884  0.567278  0.367771  1
  Ti  Ti47  1  0.958671  0.187681  0.389629  1
  Ti  Ti48  1  0.970884  0.567278  0.367771  1
  Ti  Ti49  1  0.601616  0.761677  0.434436  1
  Ti  Ti50  1  0.101616  0.761677  0.434436  1
  Ti  Ti51  1  0.613775  0.141039  0.411836  1
  Ti  Ti52  1  0.589702  0.381432  0.456418  1
  Ti  Ti53  1  0.113775  0.141039  0.411836  1
  Ti  Ti54  1  0.089702  0.381432  0.456418  1
  Ti  Ti55  1  0.696841  0.807943  0.412207  1
  Ti  Ti56  1  0.196841  0.807943  0.412207  1
  Ti  Ti57  1  0.672635  0.048132  0.456486  1
  Ti  Ti58  1  0.684561  0.427798  0.434263  1
  Ti  Ti59  1  0.172635  0.048132  0.456486  1
  Ti  Ti60  1  0.184561  0.427798  0.434263  1
  Ti  Ti61  1  0.351616  0.761677  0.434436  1
  Ti  Ti62  1  0.851616  0.761677  0.434436  1
  Ti  Ti63  1  0.363775  0.141039  0.411836  1
  Ti  Ti64  1  0.339702  0.381432  0.456418  1
  Ti  Ti65  1  0.863775  0.141039  0.411836  1
  Ti  Ti66  1  0.839702  0.381432  0.456418  1
  Ti  Ti67  1  0.446841  0.807943  0.412207  1
  Ti  Ti68  1  0.946841  0.807943  0.412207  1
  Ti  Ti69  1  0.422635  0.048132  0.456486  1
  Ti  Ti70  1  0.434561  0.427798  0.434263  1
  Ti  Ti71  1  0.922635  0.048132  0.456486  1
  Ti  Ti72  1  0.934561  0.427798  0.434263  1
  Ti  Ti73  1  0.565437  0.622177  0.501284  1
  Ti  Ti74  1  0.065437  0.622177  0.501284  1
  Ti  Ti75  1  0.577561  0.001872  0.478824  1
  Ti  Ti76  1  0.553462  0.242146  0.523214  1
  Ti  Ti77  1  0.077561  0.001872  0.478824  1
  Ti  Ti78  1  0.053462  0.242146  0.523214  1
  Ti  Ti79  1  0.660485  0.668624  0.479047  1
  Ti  Ti80  1  0.160485  0.668624  0.479047  1
  Ti  Ti81  1  0.636322  0.908991  0.523545  1
  Ti  Ti82  1  0.648519  0.288577  0.500960  1
  Ti  Ti83  1  0.136322  0.908991  0.523545  1
  Ti  Ti84  1  0.148519  0.288577  0.500960  1
  Ti  Ti85  1  0.315437  0.622177  0.501284  1
  Ti  Ti86  1  0.815437  0.622177  0.501284  1
  Ti  Ti87  1  0.327561  0.001872  0.478824  1
  Ti  Ti88  1  0.303462  0.242146  0.523214  1
  Ti  Ti89  1  0.827561  0.001872  0.478824  1
  Ti  Ti90  1  0.803462  0.242146  0.523214  1
  Ti  Ti91  1  0.410485  0.668624  0.479047  1
  Ti  Ti92  1  0.910485  0.668624  0.479047  1
  Ti  Ti93  1  0.386322  0.908991  0.523545  1
  Ti  Ti94  1  0.398519  0.288577  0.500960  1
  Ti  Ti95  1  0.886322  0.908991  0.523545  1
  Ti  Ti96  1  0.898519  0.288577  0.500960  1
  Ti  Ti97  1  0.529396  0.482928  0.567952  1
  Ti  Ti98  1  0.029396  0.482928  0.567952  1
  Ti  Ti99  1  0.541309  0.862703  0.545867  1
  Ti  Ti100  1  0.517073  0.102770  0.590132  1
  Ti  Ti101  1  0.041309  0.862703  0.545867  1
  Ti  Ti102  1  0.017073  0.102770  0.590132  1
  Ti  Ti103  1  0.624257  0.529295  0.545790  1
  Ti  Ti104  1  0.124257  0.529295  0.545790  1
  Ti  Ti105  1  0.600201  0.769811  0.590459  1
  Ti  Ti106  1  0.612316  0.149063  0.567847  1
  Ti  Ti107  1  0.100201  0.769811  0.590459  1
  Ti  Ti108  1  0.112316  0.149063  0.567847  1
  Ti  Ti109  1  0.279396  0.482928  0.567952  1
  Ti  Ti110  1  0.779396  0.482928  0.567952  1
  Ti  Ti111  1  0.291309  0.862703  0.545867  1
  Ti  Ti112  1  0.267073  0.102770  0.590132  1
  Ti  Ti113  1  0.791309  0.862703  0.545867  1
  Ti  Ti114  1  0.767073  0.102770  0.590132  1
  Ti  Ti115  1  0.374257  0.529295  0.545790  1
  Ti  Ti116  1  0.874257  0.529295  0.545790  1
  Ti  Ti117  1  0.350201  0.769811  0.590459  1
  Ti  Ti118  1  0.362316  0.149063  0.567847  1
  Ti  Ti119  1  0.850201  0.769811  0.590459  1
  Ti  Ti120  1  0.862316  0.149063  0.567847  1
  Ti  Ti121  1  0.493034  0.343425  0.634439  1
  Ti  Ti122  1  0.993034  0.343425  0.634439  1
  Ti  Ti123  1  0.505325  0.723128  0.612540  1
  Ti  Ti124  1  0.481053  0.963921  0.657751  1
  Ti  Ti125  1  0.005325  0.723128  0.612540  1
  Ti  Ti126  1  0.981053  0.963921  0.657751  1
  Ti  Ti127  1  0.588296  0.389686  0.612012  1
  Ti  Ti128  1  0.088296  0.389686  0.612012  1
  Ti  Ti129  1  0.564833  0.629981  0.658093  1
  Ti  Ti130  1  0.575420  0.010410  0.634989  1
  Ti  Ti131  1  0.064833  0.629981  0.658093  1
  Ti  Ti132  1  0.075420  0.010410  0.634989  1
  Ti  Ti133  1  0.243034  0.343425  0.634439  1
  Ti  Ti134  1  0.743034  0.343425  0.634439  1
  Ti  Ti135  1  0.255325  0.723128  0.612540  1
  Ti  Ti136  1  0.231053  0.963921  0.657751  1
  Ti  Ti137  1  0.755325  0.723128  0.612540  1
  Ti  Ti138  1  0.731053  0.963921  0.657751  1
  Ti  Ti139  1  0.338296  0.389686  0.612012  1
  Ti  Ti140  1  0.838296  0.389686  0.612012  1
  Ti  Ti141  1  0.314833  0.629981  0.658093  1
  Ti  Ti142  1  0.325420  0.010410  0.634989  1
  Ti  Ti143  1  0.814833  0.629981  0.658093  1
  Ti  Ti144  1  0.825420  0.010410  0.634989  1
  Ti  Ti145  1  0.456373  0.204131  0.701161  1
  Ti  Ti146  1  0.956373  0.204131  0.701161  1
  Ti  Ti147  1  0.469034  0.584354  0.679579  1
  Ti  Ti148  1  0.446226  0.827791  0.721976  1
  Ti  Ti149  1  0.969034  0.584354  0.679579  1
  Ti  Ti150  1  0.946226  0.827791  0.721976  1
  Ti  Ti151  1  0.551534  0.251545  0.678635  1
  Ti  Ti152  1  0.051534  0.251545  0.678635  1
  Ti  Ti153  1  0.526870  0.489872  0.721373  1
  Ti  Ti154  1  0.539611  0.870241  0.701901  1
  Ti  Ti155  1  0.026870  0.489872  0.721373  1
  Ti  Ti156  1  0.039611  0.870241  0.701901  1
  Ti  Ti157  1  0.206373  0.204131  0.701161  1
  Ti  Ti158  1  0.706373  0.204131  0.701161  1
  Ti  Ti159  1  0.219034  0.584354  0.679579  1
  Ti  Ti160  1  0.196226  0.827791  0.721976  1
  Ti  Ti161  1  0.719034  0.584354  0.679579  1
  Ti  Ti162  1  0.696226  0.827791  0.721976  1
  Ti  Ti163  1  0.301534  0.251545  0.678635  1
  Ti  Ti164  1  0.801534  0.251545  0.678635  1
  Ti  Ti165  1  0.276870  0.489872  0.721373  1
  Ti  Ti166  1  0.289611  0.870241  0.701901  1
  Ti  Ti167  1  0.776870  0.489872  0.721373  1
  Ti  Ti168  1  0.789611  0.870241  0.701901  1
  Al  Al169  1  0.329064  0.993555  0.323945  1
  Al  Al170  1  0.829064  0.993555  0.323945  1
  Al  Al171  1  0.339316  0.374216  0.299844  1
  Al  Al172  1  0.354003  0.752725  0.280410  1
  Al  Al173  1  0.839316  0.374216  0.299844  1
  Al  Al174  1  0.854003  0.752725  0.280410  1
  Al  Al175  1  0.334181  0.185277  0.310042  1
  Al  Al176  1  0.834181  0.185277  0.310042  1
  Al  Al177  1  0.346953  0.564355  0.289865  1
  Al  Al178  1  0.357852  0.942871  0.270863  1
  Al  Al179  1  0.846953  0.564355  0.289865  1
  Al  Al180  1  0.857852  0.942871  0.270863  1
  Al  Al181  1  0.739296  0.137245  0.334485  1
  Al  Al182  1  0.239296  0.137245  0.334485  1
  Al  Al183  1  0.752913  0.516974  0.312779  1
  Al  Al184  1  0.761451  0.894462  0.289298  1
  Al  Al185  1  0.252913  0.516974  0.312779  1
  Al  Al186  1  0.261451  0.894462  0.289298  1
  Al  Al187  1  0.681355  0.229954  0.289174  1
  Al  Al188  1  0.181355  0.229954  0.289174  1
  Al  Al189  1  0.692931  0.609011  0.270439  1
  Al  Al190  1  0.668258  0.848784  0.312017  1
  Al  Al191  1  0.192931  0.609011  0.270439  1
  Al  Al192  1  0.168258  0.848784  0.312017  1
  Al  Al193  1  0.579064  0.993555  0.323945  1
  Al  Al194  1  0.079064  0.993555  0.323945  1
  Al  Al195  1  0.589316  0.374216  0.299844  1
  Al  Al196  1  0.604003  0.752725  0.280410  1
  Al  Al197  1  0.089316  0.374216  0.299844  1
  Al  Al198  1  0.104003  0.752725  0.280410  1
  Al  Al199  1  0.584181  0.185277  0.310042  1
  Al  Al200  1  0.084181  0.185277  0.310042  1
  Al  Al201  1  0.596953  0.564355  0.289865  1
  Al  Al202  1  0.607852  0.942871  0.270863  1
  Al  Al203  1  0.096953  0.564355  0.289865  1
  Al  Al204  1  0.107852  0.942871  0.270863  1
  Al  Al205  1  0.489296  0.137245  0.334485  1
  Al  Al206  1  0.989296  0.137245  0.334485  1
  Al  Al207  1  0.502913  0.516974  0.312779  1
  Al  Al208  1  0.511451  0.894462  0.289298  1
  Al  Al209  1  1.002913  0.516974  0.312779  1
  Al  Al210  1  0.011451  0.894462  0.289298  1
  Al  Al211  1  0.431355  0.229954  0.289174  1
  Al  Al212  1  0.931355  0.229954  0.289174  1
  Al  Al213  1  0.442931  0.609011  0.270439  1
  Al  Al214  1  0.418258  0.848784  0.312017  1
  Al  Al215  1  0.942931  0.609011  0.270439  1
  Al  Al216  1  0.918258  0.848784  0.312017  1
  Al  Al217  1  0.292255  0.854601  0.389657  1
  Al  Al218  1  0.792255  0.854601  0.389657  1
  Al  Al219  1  0.304542  0.233570  0.367148  1
  Al  Al220  1  0.316564  0.614300  0.345713  1
  Al  Al221  1  0.804542  0.233570  0.367148  1
  Al  Al222  1  0.816564  0.614300  0.345713  1
  Al  Al223  1  0.298308  0.043701  0.378610  1
  Al  Al224  1  0.798308  0.043701  0.378610  1
  Al  Al225  1  0.310283  0.423448  0.356511  1
  Al  Al226  1  0.322842  0.804203  0.334231  1
  Al  Al227  1  0.810283  0.423448  0.356511  1
  Al  Al228  1  0.822842  0.804203  0.334231  1
  Al  Al229  1  0.703328  0.997671  0.400752  1
  Al  Al230  1  0.203328  0.997671  0.400752  1
  Al  Al231  1  0.714714  0.376850  0.378367  1
  Al  Al232  1  0.727623  0.756976  0.356562  1
  Al  Al233  1  0.214714  0.376850  0.378367  1
  Al  Al234  1  0.227623  0.756976  0.356562  1
  Al  Al235  1  0.643489  0.091166  0.356040  1
  Al  Al236  1  0.143489  0.091166  0.356040  1
  Al  Al237  1  0.654828  0.470801  0.334914  1
  Al  Al238  1  0.631573  0.711010  0.378882  1
  Al  Al239  1  0.154828  0.470801  0.334914  1
  Al  Al240  1  0.131573  0.711010  0.378882  1
  Al  Al241  1  0.542255  0.854601  0.389657  1
  Al  Al242  1  0.042255  0.854601  0.389657  1
  Al  Al243  1  0.554542  0.233570  0.367148  1
  Al  Al244  1  0.566564  0.614300  0.345713  1
  Al  Al245  1  0.054542  0.233570  0.367148  1
  Al  Al246  1  0.066564  0.614300  0.345713  1
  Al  Al247  1  0.548308  0.043701  0.378610  1
  Al  Al248  1  0.048308  0.043701  0.378610  1
  Al  Al249  1  0.560283  0.423448  0.356511  1
  Al  Al250  1  0.572842  0.804203  0.334231  1
  Al  Al251  1  0.060283  0.423448  0.356511  1
  Al  Al252  1  0.072842  0.804203  0.334231  1
  Al  Al253  1  0.453328  0.997671  0.400752  1
  Al  Al254  1  0.953328  0.997671  0.400752  1
  Al  Al255  1  0.464714  0.376850  0.378367  1
  Al  Al256  1  0.477623  0.756976  0.356562  1
  Al  Al257  1  0.964714  0.376850  0.378367  1
  Al  Al258  1  0.977623  0.756976  0.356562  1
  Al  Al259  1  0.393489  0.091166  0.356040  1
  Al  Al260  1  0.893489  0.091166  0.356040  1
  Al  Al261  1  0.404828  0.470801  0.334914  1
  Al  Al262  1  0.381573  0.711010  0.378882  1
  Al  Al263  1  0.904828  0.470801  0.334914  1
  Al  Al264  1  0.881573  0.711010  0.378882  1
  Al  Al265  1  0.256089  0.715087  0.456777  1
  Al  Al266  1  0.756089  0.715087  0.456777  1
  Al  Al267  1  0.268188  0.094781  0.434201  1
  Al  Al268  1  0.280075  0.474163  0.412108  1
  Al  Al269  1  0.768188  0.094781  0.434201  1
  Al  Al270  1  0.780075  0.474163  0.412108  1
  Al  Al271  1  0.262173  0.904982  0.445476  1
  Al  Al272  1  0.762173  0.904982  0.445476  1
  Al  Al273  1  0.274233  0.284569  0.422944  1
  Al  Al274  1  0.286212  0.664478  0.401175  1
  Al  Al275  1  0.774233  0.284569  0.422944  1
  Al  Al276  1  0.786212  0.664478  0.401175  1
  Al  Al277  1  0.666923  0.858320  0.467892  1
  Al  Al278  1  0.166923  0.858320  0.467892  1
  Al  Al279  1  0.678993  0.237844  0.445328  1
  Al  Al280  1  0.691047  0.617927  0.423459  1
  Al  Al281  1  0.178993  0.237844  0.445328  1
  Al  Al282  1  0.191047  0.617927  0.423459  1
  Al  Al283  1  0.607388  0.951435  0.423126  1
  Al  Al284  1  0.107388  0.951435  0.423126  1
  Al  Al285  1  0.619482  0.330841  0.400467  1
  Al  Al286  1  0.595238  0.571746  0.445650  1
  Al  Al287  1  0.119482  0.330841  0.400467  1
  Al  Al288  1  0.095238  0.571746  0.445650  1
  Al  Al289  1  0.506089  0.715087  0.456777  1
  Al  Al290  1  0.006089  0.715087  0.456777  1
  Al  Al291  1  0.518188  0.094781  0.434201  1
  Al  Al292  1  0.530075  0.474163  0.412108  1
  Al  Al293  1  0.018188  0.094781  0.434201  1
  Al  Al294  1  0.030075  0.474163  0.412108  1
  Al  Al295  1  0.512173  0.904982  0.445476  1
  Al  Al296  1  0.012173  0.904982  0.445476  1
  Al  Al297  1  0.524233  0.284569  0.422944  1
  Al  Al298  1  0.536212  0.664478  0.401175  1
  Al  Al299  1  0.024233  0.284569  0.422944  1
  Al  Al300  1  0.036212  0.664478  0.401175  1
  Al  Al301  1  0.416923  0.858320  0.467892  1
  Al  Al302  1  0.916923  0.858320  0.467892  1
  Al  Al303  1  0.428993  0.237844  0.445328  1
  Al  Al304  1  0.441047  0.617927  0.423459  1
  Al  Al305  1  0.928993  0.237844  0.445328  1
  Al  Al306  1  0.941047  0.617927  0.423459  1
  Al  Al307  1  0.357388  0.951435  0.423126  1
  Al  Al308  1  0.857388  0.951435  0.423126  1
  Al  Al309  1  0.369482  0.330841  0.400467  1
  Al  Al310  1  0.345238  0.571746  0.445650  1
  Al  Al311  1  0.869482  0.330841  0.400467  1
  Al  Al312  1  0.845238  0.571746  0.445650  1
  Al  Al313  1  0.219854  0.575668  0.523505  1
  Al  Al314  1  0.719854  0.575668  0.523505  1
  Al  Al315  1  0.231954  0.955376  0.501174  1
  Al  Al316  1  0.244104  0.335093  0.478728  1
  Al  Al317  1  0.731954  0.955376  0.501174  1
  Al  Al318  1  0.744104  0.335093  0.478728  1
  Al  Al319  1  0.225910  0.765636  0.512447  1
  Al  Al320  1  0.725910  0.765636  0.512447  1
  Al  Al321  1  0.238019  0.145184  0.489862  1
  Al  Al322  1  0.250034  0.524923  0.467796  1
  Al  Al323  1  0.738019  0.145184  0.489862  1
  Al  Al324  1  0.750034  0.524923  0.467796  1
  Al  Al325  1  0.630670  0.719067  0.534770  1
  Al  Al326  1  0.130670  0.719067  0.534770  1
  Al  Al327  1  0.642842  0.098587  0.512214  1
  Al  Al328  1  0.654768  0.478485  0.490046  1
  Al  Al329  1  0.142842  0.098587  0.512214  1
  Al  Al330  1  0.154768  0.478485  0.490046  1
  Al  Al331  1  0.571110  0.812208  0.490107  1
  Al  Al332  1  0.071110  0.812208  0.490107  1
  Al  Al333  1  0.583264  0.191735  0.467503  1
  Al  Al334  1  0.559186  0.432252  0.512170  1
  Al  Al335  1  0.083264  0.191735  0.467503  1
  Al  Al336  1  0.059186  0.432252  0.512170  1
  Al  Al337  1  0.469854  0.575668  0.523505  1
  Al  Al338  1  0.969854  0.575668  0.523505  1
  Al  Al339  1  0.481954  0.955376  0.501174  1
  Al  Al340  1  0.494104  0.335093  0.478728  1
  Al  Al341  1  0.981954  0.955376  0.501174  1
  Al  Al342  1  0.994104  0.335093  0.478728  1
  Al  Al343  1  0.475910  0.765636  0.512447  1
  Al  Al344  1  0.975910  0.765636  0.512447  1
  Al  Al345  1  0.488019  0.145184  0.489862  1
  Al  Al346  1  0.500034  0.524923  0.467796  1
  Al  Al347  1  0.988019  0.145184  0.489862  1
  Al  Al348  1  1.000034  0.524923  0.467796  1
  Al  Al349  1  0.380670  0.719067  0.534770  1
  Al  Al350  1  0.880670  0.719067  0.534770  1
  Al  Al351  1  0.392842  0.098587  0.512214  1
  Al  Al352  1  0.404768  0.478485  0.490046  1
  Al  Al353  1  0.892842  0.098587  0.512214  1
  Al  Al354  1  0.904768  0.478485  0.490046  1
  Al  Al355  1  0.321110  0.812208  0.490107  1
  Al  Al356  1  0.821110  0.812208  0.490107  1
  Al  Al357  1  0.333264  0.191735  0.467503  1
  Al  Al358  1  0.309186  0.432252  0.512170  1
  Al  Al359  1  0.833264  0.191735  0.467503  1
  Al  Al360  1  0.809186  0.432252  0.512170  1
  Al  Al361  1  0.183873  0.436569  0.590103  1
  Al  Al362  1  0.683873  0.436569  0.590103  1
  Al  Al363  1  0.195713  0.816210  0.568134  1
  Al  Al364  1  0.207858  0.195680  0.545516  1
  Al  Al365  1  0.695713  0.816210  0.568134  1
  Al  Al366  1  0.707858  0.195680  0.545516  1
  Al  Al367  1  0.189722  0.626222  0.579261  1
  Al  Al368  1  0.689722  0.626222  0.579261  1
  Al  Al369  1  0.201751  0.005780  0.556873  1
  Al  Al370  1  0.213919  0.385828  0.534430  1
  Al  Al371  1  0.701751  0.005780  0.556873  1
  Al  Al372  1  0.713919  0.385828  0.534430  1
  Al  Al373  1  0.594500  0.579887  0.601717  1
  Al  Al374  1  0.094500  0.579887  0.601717  1
  Al  Al375  1  0.606502  0.959413  0.579328  1
  Al  Al376  1  0.618724  0.338982  0.556590  1
  Al  Al377  1  0.106502  0.959413  0.579328  1
  Al  Al378  1  0.118724  0.338982  0.556590  1
  Al  Al379  1  0.534996  0.672930  0.556903  1
  Al  Al380  1  0.034996  0.672930  0.556903  1
  Al  Al381  1  0.546967  0.052495  0.534452  1
  Al  Al382  1  0.522878  0.292795  0.578779  1
  Al  Al383  1  0.046967  0.052495  0.534452  1
  Al  Al384  1  0.022878  0.292795  0.578779  1
  Al  Al385  1  0.433873  0.436569  0.590103  1
  Al  Al386  1  0.933873  0.436569  0.590103  1
  Al  Al387  1  0.445713  0.816210  0.568134  1
  Al  Al388  1  0.457858  0.195680  0.545516  1
  Al  Al389  1  0.945713  0.816210  0.568134  1
  Al  Al390  1  0.957858  0.195680  0.545516  1
  Al  Al391  1  0.439722  0.626222  0.579261  1
  Al  Al392  1  0.939722  0.626222  0.579261  1
  Al  Al393  1  0.451751  0.005780  0.556873  1
  Al  Al394  1  0.463919  0.385828  0.534430  1
  Al  Al395  1  0.951751  0.005780  0.556873  1
  Al  Al396  1  0.963919  0.385828  0.534430  1
  Al  Al397  1  0.344500  0.579887  0.601717  1
  Al  Al398  1  0.844500  0.579887  0.601717  1
  Al  Al399  1  0.356502  0.959413  0.579328  1
  Al  Al400  1  0.368724  0.338982  0.556590  1
  Al  Al401  1  0.856502  0.959413  0.579328  1
  Al  Al402  1  0.868724  0.338982  0.556590  1
  Al  Al403  1  0.284996  0.672930  0.556903  1
  Al  Al404  1  0.784996  0.672930  0.556903  1
  Al  Al405  1  0.296967  0.052495  0.534452  1
  Al  Al406  1  0.272878  0.292795  0.578779  1
  Al  Al407  1  0.796967  0.052495  0.534452  1
  Al  Al408  1  0.772878  0.292795  0.578779  1
  Al  Al409  1  0.147359  0.296537  0.656555  1
  Al  Al410  1  0.647359  0.296537  0.656555  1
  Al  Al411  1  0.159474  0.677144  0.635035  1
  Al  Al412  1  0.171595  0.055983  0.612654  1
  Al  Al413  1  0.659474  0.677144  0.635035  1
  Al  Al414  1  0.671595  0.055983  0.612654  1
  Al  Al415  1  0.153702  0.487297  0.645689  1
  Al  Al416  1  0.653702  0.487297  0.645689  1
  Al  Al417  1  0.165506  0.867140  0.623944  1
  Al  Al418  1  0.177713  0.246190  0.601103  1
  Al  Al419  1  0.665506  0.867140  0.623944  1
  Al  Al420  1  0.677713  0.246190  0.601103  1
  Al  Al421  1  0.559081  0.439921  0.667282  1
  Al  Al422  1  0.059081  0.439921  0.667282  1
  Al  Al423  1  0.570504  0.819694  0.646267  1
  Al  Al424  1  0.582331  0.199712  0.623347  1
  Al  Al425  1  0.070504  0.819694  0.646267  1
  Al  Al426  1  0.082331  0.199712  0.623347  1
  Al  Al427  1  0.499235  0.533896  0.623827  1
  Al  Al428  1  0.999235  0.533896  0.623827  1
  Al  Al429  1  0.510651  0.913208  0.601657  1
  Al  Al430  1  0.486428  0.153573  0.645739  1
  Al  Al431  1  0.010651  0.913208  0.601657  1
  Al  Al432  1  0.986428  0.153573  0.645739  1
  Al  Al433  1  0.397359  0.296537  0.656555  1
  Al  Al434  1  0.897359  0.296537  0.656555  1
  Al  Al435  1  0.409474  0.677144  0.635035  1
  Al  Al436  1  0.421595  0.055983  0.612654  1
  Al  Al437  1  0.909474  0.677144  0.635035  1
  Al  Al438  1  0.921595  0.055983  0.612654  1
  Al  Al439  1  0.403702  0.487297  0.645689  1
  Al  Al440  1  0.903702  0.487297  0.645689  1
  Al  Al441  1  0.415506  0.867140  0.623944  1
  Al  Al442  1  0.427713  0.246190  0.601103  1
  Al  Al443  1  0.915506  0.867140  0.623944  1
  Al  Al444  1  0.927713  0.246190  0.601103  1
  Al  Al445  1  0.309081  0.439921  0.667282  1
  Al  Al446  1  0.809081  0.439921  0.667282  1
  Al  Al447  1  0.320504  0.819694  0.646267  1
  Al  Al448  1  0.332331  0.199712  0.623347  1
  Al  Al449  1  0.820504  0.819694  0.646267  1
  Al  Al450  1  0.832331  0.199712  0.623347  1
  Al  Al451  1  0.249235  0.533896  0.623827  1
  Al  Al452  1  0.749235  0.533896  0.623827  1
  Al  Al453  1  0.260651  0.913208  0.601657  1
  Al  Al454  1  0.236428  0.153573  0.645739  1
  Al  Al455  1  0.760651  0.913208  0.601657  1
  Al  Al456  1  0.736428  0.153573  0.645739  1
  Al  Al457  1  0.110223  0.159807  0.721445  1
  Al  Al458  1  0.610223  0.159807  0.721445  1
  Al  Al459  1  0.124723  0.536685  0.702327  1
  Al  Al460  1  0.134318  0.919341  0.679341  1
  Al  Al461  1  0.624723  0.536685  0.702327  1
  Al  Al462  1  0.634318  0.919341  0.679341  1
  Al  Al463  1  0.117094  0.346414  0.712232  1
  Al  Al464  1  0.617094  0.346414  0.712232  1
  Al  Al465  1  0.129783  0.725984  0.691892  1
  Al  Al466  1  0.141125  0.107476  0.667783  1
  Al  Al467  1  0.629783  0.725984  0.691892  1
  Al  Al468  1  0.641125  0.107476  0.667783  1
  Al  Al469  1  0.520859  0.302549  0.731722  1
  Al  Al470  1  0.020859  0.302549  0.731722  1
  Al  Al471  1  0.533047  0.680306  0.712931  1
  Al  Al472  1  0.546211  0.060958  0.691068  1
  Al  Al473  1  0.033047  0.680306  0.712931  1
  Al  Al474  1  0.046211  0.060958  0.691068  1
  Al  Al475  1  0.461023  0.393894  0.689411  1
  Al  Al476  1  0.961023  0.393894  0.689411  1
  Al  Al477  1  0.474832  0.773515  0.667518  1
  Al  Al478  1  0.450563  0.016032  0.712324  1
  Al  Al479  1  0.974832  0.773515  0.667518  1
  Al  Al480  1  0.950563  0.016032  0.712324  1
  Al  Al481  1  0.360223  0.159807  0.721445  1
  Al  Al482  1  0.860223  0.159807  0.721445  1
  Al  Al483  1  0.374723  0.536685  0.702327  1
  Al  Al484  1  0.384318  0.919341  0.679341  1
  Al  Al485  1  0.874723  0.536685  0.702327  1
  Al  Al486  1  0.884318  0.919341  0.679341  1
  Al  Al487  1  0.367094  0.346414  0.712232  1
  Al  Al488  1  0.867094  0.346414  0.712232  1
  Al  Al489  1  0.379783  0.725984  0.691892  1
  Al  Al490  1  0.391125  0.107476  0.667783  1
  Al  Al491  1  0.879783  0.725984  0.691892  1
  Al  Al492  1  0.891125  0.107476  0.667783  1
  Al  Al493  1  0.270859  0.302549  0.731722  1
  Al  Al494  1  0.770859  0.302549  0.731722  1
  Al  Al495  1  0.283047  0.680306  0.712931  1
  Al  Al496  1  0.296211  0.060958  0.691068  1
  Al  Al497  1  0.783047  0.680306  0.712931  1
  Al  Al498  1  0.796211  0.060958  0.691068  1
  Al  Al499  1  0.211023  0.393894  0.689411  1
  Al  Al500  1  0.711023  0.393894  0.689411  1
  Al  Al501  1  0.224832  0.773515  0.667518  1
  Al  Al502  1  0.200563  0.016032  0.712324  1
  Al  Al503  1  0.724832  0.773515  0.667518  1
  Al  Al504  1  0.700563  0.016032  0.712324  1
