# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.84623370
_cell_length_b   26.40530046
_cell_length_c   47.76462993
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.54417437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti192 Al384'
_cell_volume   20143.9557055
_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  0.567190  0.649900  0.280801  1
  Ti  Ti2  1  0.233857  0.649900  0.280801  1
  Ti  Ti3  1  0.900524  0.649900  0.280801  1
  Ti  Ti4  1  0.353712  0.371869  0.319050  1
  Ti  Ti5  1  0.020378  0.371869  0.319050  1
  Ti  Ti6  1  0.687045  0.371869  0.319050  1
  Ti  Ti7  1  0.316676  0.463688  0.305449  1
  Ti  Ti8  1  0.983342  0.463688  0.305449  1
  Ti  Ti9  1  0.650009  0.463688  0.305449  1
  Ti  Ti10  1  0.521674  0.704316  0.318812  1
  Ti  Ti11  1  0.188341  0.704316  0.318812  1
  Ti  Ti12  1  0.855007  0.704316  0.318812  1
  Ti  Ti13  1  0.149779  0.131845  0.305363  1
  Ti  Ti14  1  0.816446  0.131845  0.305363  1
  Ti  Ti15  1  0.483112  0.131845  0.305363  1
  Ti  Ti16  1  0.784761  0.890709  0.292766  1
  Ti  Ti17  1  0.451428  0.890709  0.292766  1
  Ti  Ti18  1  0.118094  0.890709  0.292766  1
  Ti  Ti19  1  0.891783  0.944846  0.333397  1
  Ti  Ti20  1  0.558450  0.944846  0.333397  1
  Ti  Ti21  1  0.225116  0.944846  0.333397  1
  Ti  Ti22  1  0.276410  0.222582  0.292239  1
  Ti  Ti23  1  0.943076  0.222582  0.292239  1
  Ti  Ti24  1  0.609743  0.222582  0.292239  1
  Ti  Ti25  1  0.391018  0.612449  0.332053  1
  Ti  Ti26  1  0.057685  0.612449  0.332053  1
  Ti  Ti27  1  0.724351  0.612449  0.332053  1
  Ti  Ti28  1  0.167529  0.334127  0.374423  1
  Ti  Ti29  1  0.834196  0.334127  0.374423  1
  Ti  Ti30  1  0.500863  0.334127  0.374423  1
  Ti  Ti31  1  0.131438  0.426316  0.360152  1
  Ti  Ti32  1  0.798105  0.426316  0.360152  1
  Ti  Ti33  1  0.464772  0.426316  0.360152  1
  Ti  Ti34  1  0.335770  0.667201  0.374230  1
  Ti  Ti35  1  1.002437  0.667201  0.374230  1
  Ti  Ti36  1  0.669103  0.667201  0.374230  1
  Ti  Ti37  1  0.964196  0.092470  0.359597  1
  Ti  Ti38  1  0.630863  0.092470  0.359597  1
  Ti  Ti39  1  0.297529  0.092470  0.359597  1
  Ti  Ti40  1  0.596227  0.852486  0.345927  1
  Ti  Ti41  1  0.262893  0.852486  0.345927  1
  Ti  Ti42  1  0.929560  0.852486  0.345927  1
  Ti  Ti43  1  0.706175  0.907361  0.388163  1
  Ti  Ti44  1  0.372842  0.907361  0.388163  1
  Ti  Ti45  1  0.039508  0.907361  0.388163  1
  Ti  Ti46  1  0.092461  0.185180  0.346037  1
  Ti  Ti47  1  0.759128  0.185180  0.346037  1
  Ti  Ti48  1  0.425795  0.185180  0.346037  1
  Ti  Ti49  1  0.205438  0.573978  0.389133  1
  Ti  Ti50  1  0.872104  0.573978  0.389133  1
  Ti  Ti51  1  0.538771  0.573978  0.389133  1
  Ti  Ti52  1  0.982190  0.295847  0.430178  1
  Ti  Ti53  1  0.648856  0.295847  0.430178  1
  Ti  Ti54  1  0.315523  0.295847  0.430178  1
  Ti  Ti55  1  0.945396  0.388302  0.416512  1
  Ti  Ti56  1  0.612063  0.388302  0.416512  1
  Ti  Ti57  1  0.278730  0.388302  0.416512  1
  Ti  Ti58  1  0.149514  0.628944  0.430325  1
  Ti  Ti59  1  0.816180  0.628944  0.430325  1
  Ti  Ti60  1  0.482847  0.628944  0.430325  1
  Ti  Ti61  1  0.779705  0.055458  0.416426  1
  Ti  Ti62  1  0.446372  0.055458  0.416426  1
  Ti  Ti63  1  0.113038  0.055458  0.416426  1
  Ti  Ti64  1  0.409217  0.814600  0.402548  1
  Ti  Ti65  1  0.075883  0.814600  0.402548  1
  Ti  Ti66  1  0.742550  0.814600  0.402548  1
  Ti  Ti67  1  0.520070  0.869506  0.444211  1
  Ti  Ti68  1  0.186737  0.869506  0.444211  1
  Ti  Ti69  1  0.853403  0.869506  0.444211  1
  Ti  Ti70  1  0.908328  0.147684  0.402469  1
  Ti  Ti71  1  0.574994  0.147684  0.402469  1
  Ti  Ti72  1  0.241661  0.147684  0.402469  1
  Ti  Ti73  1  0.019811  0.536607  0.444036  1
  Ti  Ti74  1  0.686478  0.536607  0.444036  1
  Ti  Ti75  1  0.353144  0.536607  0.444036  1
  Ti  Ti76  1  0.797052  0.258315  0.485881  1
  Ti  Ti77  1  0.463719  0.258315  0.485881  1
  Ti  Ti78  1  0.130385  0.258315  0.485881  1
  Ti  Ti79  1  0.760305  0.350734  0.471979  1
  Ti  Ti80  1  0.426972  0.350734  0.471979  1
  Ti  Ti81  1  0.093639  0.350734  0.471979  1
  Ti  Ti82  1  0.963914  0.591416  0.485875  1
  Ti  Ti83  1  0.630580  0.591416  0.485875  1
  Ti  Ti84  1  0.297247  0.591416  0.485875  1
  Ti  Ti85  1  0.594005  0.017859  0.471824  1
  Ti  Ti86  1  0.260672  0.017859  0.471824  1
  Ti  Ti87  1  0.927339  0.017859  0.471824  1
  Ti  Ti88  1  0.223699  0.777258  0.457936  1
  Ti  Ti89  1  0.890366  0.777258  0.457936  1
  Ti  Ti90  1  0.557033  0.777258  0.457936  1
  Ti  Ti91  1  0.334445  0.832046  0.499687  1
  Ti  Ti92  1  1.001112  0.832046  0.499687  1
  Ti  Ti93  1  0.667778  0.832046  0.499687  1
  Ti  Ti94  1  0.723067  0.110220  0.457978  1
  Ti  Ti95  1  0.389734  0.110220  0.457978  1
  Ti  Ti96  1  0.056401  0.110220  0.457978  1
  Ti  Ti97  1  0.834437  0.498768  0.500071  1
  Ti  Ti98  1  0.501103  0.498768  0.500071  1
  Ti  Ti99  1  0.167770  0.498768  0.500071  1
  Ti  Ti100  1  0.611507  0.220627  0.541751  1
  Ti  Ti101  1  0.278174  0.220627  0.541751  1
  Ti  Ti102  1  0.944840  0.220627  0.541751  1
  Ti  Ti103  1  0.574884  0.312958  0.527936  1
  Ti  Ti104  1  0.241551  0.312958  0.527936  1
  Ti  Ti105  1  0.908218  0.312958  0.527936  1
  Ti  Ti106  1  0.778508  0.553586  0.541789  1
  Ti  Ti107  1  0.445175  0.553586  0.541789  1
  Ti  Ti108  1  0.111842  0.553586  0.541789  1
  Ti  Ti109  1  0.408242  0.980082  0.527780  1
  Ti  Ti110  1  0.074908  0.980082  0.527780  1
  Ti  Ti111  1  0.741575  0.980082  0.527780  1
  Ti  Ti112  1  0.037871  0.739431  0.513846  1
  Ti  Ti113  1  0.704538  0.739431  0.513846  1
  Ti  Ti114  1  0.371204  0.739431  0.513846  1
  Ti  Ti115  1  0.148577  0.794209  0.555719  1
  Ti  Ti116  1  0.815244  0.794209  0.555719  1
  Ti  Ti117  1  0.481911  0.794209  0.555719  1
  Ti  Ti118  1  0.537512  0.072532  0.513847  1
  Ti  Ti119  1  0.204178  0.072532  0.513847  1
  Ti  Ti120  1  0.870845  0.072532  0.513847  1
  Ti  Ti121  1  0.649185  0.461312  0.555545  1
  Ti  Ti122  1  0.315852  0.461312  0.555545  1
  Ti  Ti123  1  0.982519  0.461312  0.555545  1
  Ti  Ti124  1  0.425896  0.183158  0.597261  1
  Ti  Ti125  1  0.092563  0.183158  0.597261  1
  Ti  Ti126  1  0.759229  0.183158  0.597261  1
  Ti  Ti127  1  0.389569  0.275360  0.583333  1
  Ti  Ti128  1  0.056235  0.275360  0.583333  1
  Ti  Ti129  1  0.722902  0.275360  0.583333  1
  Ti  Ti130  1  0.593268  0.516256  0.597177  1
  Ti  Ti131  1  0.259934  0.516256  0.597177  1
  Ti  Ti132  1  0.926601  0.516256  0.597177  1
  Ti  Ti133  1  0.222344  0.942509  0.583246  1
  Ti  Ti134  1  0.889011  0.942509  0.583246  1
  Ti  Ti135  1  0.555677  0.942509  0.583246  1
  Ti  Ti136  1  0.852516  0.701902  0.569402  1
  Ti  Ti137  1  0.519182  0.701902  0.569402  1
  Ti  Ti138  1  0.185849  0.701902  0.569402  1
  Ti  Ti139  1  0.963408  0.756833  0.610626  1
  Ti  Ti140  1  0.630075  0.756833  0.610626  1
  Ti  Ti141  1  0.296741  0.756833  0.610626  1
  Ti  Ti142  1  0.351707  0.034998  0.569549  1
  Ti  Ti143  1  0.018373  0.034998  0.569549  1
  Ti  Ti144  1  0.685040  0.034998  0.569549  1
  Ti  Ti145  1  0.464039  0.423457  0.611600  1
  Ti  Ti146  1  0.130705  0.423457  0.611600  1
  Ti  Ti147  1  0.797372  0.423457  0.611600  1
  Ti  Ti148  1  0.239117  0.145666  0.653690  1
  Ti  Ti149  1  0.905784  0.145666  0.653690  1
  Ti  Ti150  1  0.572451  0.145666  0.653690  1
  Ti  Ti151  1  0.203619  0.238341  0.640161  1
  Ti  Ti152  1  0.870286  0.238341  0.640161  1
  Ti  Ti153  1  0.536952  0.238341  0.640161  1
  Ti  Ti154  1  0.408995  0.478362  0.653807  1
  Ti  Ti155  1  0.075662  0.478362  0.653807  1
  Ti  Ti156  1  0.742329  0.478362  0.653807  1
  Ti  Ti157  1  0.036975  0.904499  0.639607  1
  Ti  Ti158  1  0.703642  0.904499  0.639607  1
  Ti  Ti159  1  0.370308  0.904499  0.639607  1
  Ti  Ti160  1  0.667123  0.663649  0.625484  1
  Ti  Ti161  1  0.333789  0.663649  0.625484  1
  Ti  Ti162  1  1.000456  0.663649  0.625484  1
  Ti  Ti163  1  0.777117  0.718363  0.667702  1
  Ti  Ti164  1  0.443784  0.718363  0.667702  1
  Ti  Ti165  1  0.110451  0.718363  0.667702  1
  Ti  Ti166  1  0.165352  0.996713  0.625306  1
  Ti  Ti167  1  0.832019  0.996713  0.625306  1
  Ti  Ti168  1  0.498686  0.996713  0.625306  1
  Ti  Ti169  1  0.278744  0.385980  0.666355  1
  Ti  Ti170  1  0.945410  0.385980  0.666355  1
  Ti  Ti171  1  0.612077  0.385980  0.666355  1
  Ti  Ti172  1  0.052276  0.108225  0.707496  1
  Ti  Ti173  1  0.718942  0.108225  0.707496  1
  Ti  Ti174  1  0.385609  0.108225  0.707496  1
  Ti  Ti175  1  0.016416  0.198970  0.694395  1
  Ti  Ti176  1  0.683083  0.198970  0.694395  1
  Ti  Ti177  1  0.349750  0.198970  0.694395  1
  Ti  Ti178  1  0.225925  0.440174  0.706954  1
  Ti  Ti179  1  0.892592  0.440174  0.706954  1
  Ti  Ti180  1  0.559258  0.440174  0.706954  1
  Ti  Ti181  1  0.851380  0.867126  0.694305  1
  Ti  Ti182  1  0.518047  0.867126  0.694305  1
  Ti  Ti183  1  0.184713  0.867126  0.694305  1
  Ti  Ti184  1  0.482476  0.626546  0.680930  1
  Ti  Ti185  1  0.149142  0.626546  0.680930  1
  Ti  Ti186  1  0.815809  0.626546  0.680930  1
  Ti  Ti187  1  0.582550  0.680896  0.718960  1
  Ti  Ti188  1  0.249217  0.680896  0.718960  1
  Ti  Ti189  1  0.915884  0.680896  0.718960  1
  Ti  Ti190  1  0.980361  0.958972  0.680666  1
  Ti  Ti191  1  0.647027  0.958972  0.680666  1
  Ti  Ti192  1  0.313694  0.958972  0.680666  1
  Al  Al193  1  0.185685  0.370727  0.318423  1
  Al  Al194  1  0.852351  0.370727  0.318423  1
  Al  Al195  1  0.519018  0.370727  0.318423  1
  Al  Al196  1  0.443478  0.556020  0.291910  1
  Al  Al197  1  0.110145  0.556020  0.291910  1
  Al  Al198  1  0.776812  0.556020  0.291910  1
  Al  Al199  1  0.612353  0.557817  0.292239  1
  Al  Al200  1  0.279019  0.557817  0.292239  1
  Al  Al201  1  0.945686  0.557817  0.292239  1
  Al  Al202  1  0.483493  0.464018  0.304887  1
  Al  Al203  1  0.150159  0.464018  0.304887  1
  Al  Al204  1  0.816826  0.464018  0.304887  1
  Al  Al205  1  0.556260  0.610158  0.334153  1
  Al  Al206  1  0.222926  0.610158  0.334153  1
  Al  Al207  1  0.889593  0.610158  0.334153  1
  Al  Al208  1  0.223327  0.278047  0.333784  1
  Al  Al209  1  0.889993  0.278047  0.333784  1
  Al  Al210  1  0.556660  0.278047  0.333784  1
  Al  Al211  1  0.243856  0.314922  0.280766  1
  Al  Al212  1  0.910523  0.314922  0.280766  1
  Al  Al213  1  0.577189  0.314922  0.280766  1
  Al  Al214  1  0.689402  0.705104  0.318421  1
  Al  Al215  1  0.356068  0.705104  0.318421  1
  Al  Al216  1  0.022735  0.705104  0.318421  1
  Al  Al217  1  0.951987  0.892013  0.291863  1
  Al  Al218  1  0.618653  0.892013  0.291863  1
  Al  Al219  1  0.285320  0.892013  0.291863  1
  Al  Al220  1  0.021641  0.037788  0.318519  1
  Al  Al221  1  0.688308  0.037788  0.318519  1
  Al  Al222  1  0.354975  0.037788  0.318519  1
  Al  Al223  1  0.852225  0.037018  0.318212  1
  Al  Al224  1  0.518891  0.037018  0.318212  1
  Al  Al225  1  0.185558  0.037018  0.318212  1
  Al  Al226  1  0.910281  0.981875  0.280416  1
  Al  Al227  1  0.576948  0.981875  0.280416  1
  Al  Al228  1  0.243615  0.981875  0.280416  1
  Al  Al229  1  0.981882  0.129401  0.304249  1
  Al  Al230  1  0.648548  0.129401  0.304249  1
  Al  Al231  1  0.315215  0.129401  0.304249  1
  Al  Al232  1  0.652017  0.797024  0.304651  1
  Al  Al233  1  0.318683  0.797024  0.304651  1
  Al  Al234  1  0.985350  0.797024  0.304651  1
  Al  Al235  1  0.820382  0.797682  0.304675  1
  Al  Al236  1  0.487049  0.797682  0.304675  1
  Al  Al237  1  0.153716  0.797682  0.304675  1
  Al  Al238  1  0.110705  0.224134  0.291655  1
  Al  Al239  1  0.777372  0.224134  0.291655  1
  Al  Al240  1  0.444039  0.224134  0.291655  1
  Al  Al241  1  1.000861  0.333518  0.374587  1
  Al  Al242  1  0.667527  0.333518  0.374587  1
  Al  Al243  1  0.334194  0.333518  0.374587  1
  Al  Al244  1  0.261399  0.519507  0.346975  1
  Al  Al245  1  0.928066  0.519507  0.346975  1
  Al  Al246  1  0.594732  0.519507  0.346975  1
  Al  Al247  1  0.427497  0.518941  0.346950  1
  Al  Al248  1  0.094163  0.518941  0.346950  1
  Al  Al249  1  0.760830  0.518941  0.346950  1
  Al  Al250  1  0.298094  0.426653  0.360930  1
  Al  Al251  1  0.964760  0.426653  0.360930  1
  Al  Al252  1  0.631427  0.426653  0.360930  1
  Al  Al253  1  0.372215  0.574183  0.388192  1
  Al  Al254  1  0.038882  0.574183  0.388192  1
  Al  Al255  1  0.705548  0.574183  0.388192  1
  Al  Al256  1  0.037827  0.240549  0.388172  1
  Al  Al257  1  0.704494  0.240549  0.388172  1
  Al  Al258  1  0.371160  0.240549  0.388172  1
  Al  Al259  1  0.057397  0.279222  0.332452  1
  Al  Al260  1  0.724064  0.279222  0.332452  1
  Al  Al261  1  0.390731  0.279222  0.332452  1
  Al  Al262  1  0.502040  0.667027  0.374592  1
  Al  Al263  1  0.168707  0.667027  0.374592  1
  Al  Al264  1  0.835374  0.667027  0.374592  1
  Al  Al265  1  0.762176  0.851193  0.347062  1
  Al  Al266  1  0.428843  0.851193  0.347062  1
  Al  Al267  1  0.095509  0.851193  0.347062  1
  Al  Al268  1  0.835622  1.000701  0.374602  1
  Al  Al269  1  0.502289  1.000701  0.374602  1
  Al  Al270  1  0.168955  1.000701  0.374602  1
  Al  Al271  1  0.669018  1.000273  0.374562  1
  Al  Al272  1  0.335685  1.000273  0.374562  1
  Al  Al273  1  1.002351  1.000273  0.374562  1
  Al  Al274  1  0.725726  0.946181  0.332881  1
  Al  Al275  1  0.392393  0.946181  0.332881  1
  Al  Al276  1  0.059060  0.946181  0.332881  1
  Al  Al277  1  0.797608  0.092557  0.360616  1
  Al  Al278  1  0.464275  0.092557  0.360616  1
  Al  Al279  1  0.130942  0.092557  0.360616  1
  Al  Al280  1  0.465990  0.759710  0.360534  1
  Al  Al281  1  0.132656  0.759710  0.360534  1
  Al  Al282  1  0.799323  0.759710  0.360534  1
  Al  Al283  1  0.632579  0.760042  0.360455  1
  Al  Al284  1  0.299246  0.760042  0.360455  1
  Al  Al285  1  0.965913  0.760042  0.360455  1
  Al  Al286  1  0.926628  0.185816  0.347387  1
  Al  Al287  1  0.593294  0.185816  0.347387  1
  Al  Al288  1  0.259961  0.185816  0.347387  1
  Al  Al289  1  0.815288  0.295486  0.430066  1
  Al  Al290  1  0.481955  0.295486  0.430066  1
  Al  Al291  1  0.148622  0.295486  0.430066  1
  Al  Al292  1  0.075526  0.481314  0.402448  1
  Al  Al293  1  0.742192  0.481314  0.402448  1
  Al  Al294  1  0.408859  0.481314  0.402448  1
  Al  Al295  1  0.241840  0.480767  0.402351  1
  Al  Al296  1  0.908507  0.480767  0.402351  1
  Al  Al297  1  0.575174  0.480767  0.402351  1
  Al  Al298  1  0.112353  0.389015  0.416305  1
  Al  Al299  1  0.779020  0.389015  0.416305  1
  Al  Al300  1  0.445686  0.389015  0.416305  1
  Al  Al301  1  0.186131  0.535823  0.444382  1
  Al  Al302  1  0.852798  0.535823  0.444382  1
  Al  Al303  1  0.519465  0.535823  0.444382  1
  Al  Al304  1  0.852389  0.202758  0.444023  1
  Al  Al305  1  0.519056  0.202758  0.444023  1
  Al  Al306  1  0.185723  0.202758  0.444023  1
  Al  Al307  1  0.870432  0.240783  0.388510  1
  Al  Al308  1  0.537098  0.240783  0.388510  1
  Al  Al309  1  0.203765  0.240783  0.388510  1
  Al  Al310  1  0.316745  0.629864  0.430266  1
  Al  Al311  1  0.983411  0.629864  0.430266  1
  Al  Al312  1  0.650078  0.629864  0.430266  1
  Al  Al313  1  0.575962  0.814589  0.402063  1
  Al  Al314  1  0.242629  0.814589  0.402063  1
  Al  Al315  1  0.909296  0.814589  0.402063  1
  Al  Al316  1  0.650060  0.962685  0.430175  1
  Al  Al317  1  0.316727  0.962685  0.430175  1
  Al  Al318  1  0.983393  0.962685  0.430175  1
  Al  Al319  1  0.483177  0.962163  0.430046  1
  Al  Al320  1  0.149844  0.962163  0.430046  1
  Al  Al321  1  0.816510  0.962163  0.430046  1
  Al  Al322  1  0.539713  0.907208  0.388545  1
  Al  Al323  1  0.206380  0.907208  0.388545  1
  Al  Al324  1  0.873046  0.907208  0.388545  1
  Al  Al325  1  0.612863  0.055070  0.415925  1
  Al  Al326  1  0.279529  0.055070  0.415925  1
  Al  Al327  1  0.946196  0.055070  0.415925  1
  Al  Al328  1  0.279142  0.721536  0.416140  1
  Al  Al329  1  0.945809  0.721536  0.416140  1
  Al  Al330  1  0.612475  0.721536  0.416140  1
  Al  Al331  1  0.446407  0.722133  0.416293  1
  Al  Al332  1  0.113074  0.722133  0.416293  1
  Al  Al333  1  0.779741  0.722133  0.416293  1
  Al  Al334  1  0.741414  0.147889  0.401984  1
  Al  Al335  1  0.408080  0.147889  0.401984  1
  Al  Al336  1  0.074747  0.147889  0.401984  1
  Al  Al337  1  0.630130  0.257834  0.485902  1
  Al  Al338  1  0.296797  0.257834  0.485902  1
  Al  Al339  1  0.963464  0.257834  0.485902  1
  Al  Al340  1  0.890224  0.443955  0.458262  1
  Al  Al341  1  0.556891  0.443955  0.458262  1
  Al  Al342  1  0.223558  0.443955  0.458262  1
  Al  Al343  1  0.056535  0.443410  0.458141  1
  Al  Al344  1  0.723202  0.443410  0.458141  1
  Al  Al345  1  0.389868  0.443410  0.458141  1
  Al  Al346  1  0.927194  0.351093  0.472208  1
  Al  Al347  1  0.593861  0.351093  0.472208  1
  Al  Al348  1  0.260527  0.351093  0.472208  1
  Al  Al349  1  1.001039  0.498509  0.499806  1
  Al  Al350  1  0.667706  0.498509  0.499806  1
  Al  Al351  1  0.334372  0.498509  0.499806  1
  Al  Al352  1  0.667156  0.165159  0.499809  1
  Al  Al353  1  0.333822  0.165159  0.499809  1
  Al  Al354  1  1.000489  0.165159  0.499809  1
  Al  Al355  1  0.686296  0.203361  0.444115  1
  Al  Al356  1  0.352962  0.203361  0.444115  1
  Al  Al357  1  0.019629  0.203361  0.444115  1
  Al  Al358  1  0.130613  0.591659  0.486050  1
  Al  Al359  1  0.797280  0.591659  0.486050  1
  Al  Al360  1  0.463946  0.591659  0.486050  1
  Al  Al361  1  0.389989  0.776547  0.458060  1
  Al  Al362  1  0.056656  0.776547  0.458060  1
  Al  Al363  1  0.723322  0.776547  0.458060  1
  Al  Al364  1  0.464393  0.925243  0.485951  1
  Al  Al365  1  0.131060  0.925243  0.485951  1
  Al  Al366  1  0.797726  0.925243  0.485951  1
  Al  Al367  1  0.297417  0.924703  0.485848  1
  Al  Al368  1  0.964083  0.924703  0.485848  1
  Al  Al369  1  0.630750  0.924703  0.485848  1
  Al  Al370  1  0.353742  0.870228  0.444079  1
  Al  Al371  1  0.020409  0.870228  0.444079  1
  Al  Al372  1  0.687075  0.870228  0.444079  1
  Al  Al373  1  0.427055  0.017281  0.471980  1
  Al  Al374  1  0.093721  0.017281  0.471980  1
  Al  Al375  1  0.760388  0.017281  0.471980  1
  Al  Al376  1  0.093739  0.684068  0.471989  1
  Al  Al377  1  0.760406  0.684068  0.471989  1
  Al  Al378  1  0.427073  0.684068  0.471989  1
  Al  Al379  1  0.260504  0.684596  0.472086  1
  Al  Al380  1  0.927171  0.684596  0.472086  1
  Al  Al381  1  0.593837  0.684596  0.472086  1
  Al  Al382  1  0.556705  0.110766  0.458225  1
  Al  Al383  1  0.223371  0.110766  0.458225  1
  Al  Al384  1  0.890038  0.110766  0.458225  1
  Al  Al385  1  0.444632  0.220091  0.541502  1
  Al  Al386  1  0.111299  0.220091  0.541502  1
  Al  Al387  1  0.777966  0.220091  0.541502  1
  Al  Al388  1  0.704767  0.406113  0.513910  1
  Al  Al389  1  0.371434  0.406113  0.513910  1
  Al  Al390  1  0.038101  0.406113  0.513910  1
  Al  Al391  1  0.871194  0.405568  0.513809  1
  Al  Al392  1  0.537861  0.405568  0.513809  1
  Al  Al393  1  0.204527  0.405568  0.513809  1
  Al  Al394  1  0.741811  0.313526  0.527781  1
  Al  Al395  1  0.408478  0.313526  0.527781  1
  Al  Al396  1  0.075144  0.313526  0.527781  1
  Al  Al397  1  0.815492  0.460576  0.555683  1
  Al  Al398  1  0.482159  0.460576  0.555683  1
  Al  Al399  1  0.148825  0.460576  0.555683  1
  Al  Al400  1  0.481611  0.127487  0.555612  1
  Al  Al401  1  0.148277  0.127487  0.555612  1
  Al  Al402  1  0.814944  0.127487  0.555612  1
  Al  Al403  1  0.500759  0.165690  0.499919  1
  Al  Al404  1  0.167425  0.165690  0.499919  1
  Al  Al405  1  0.834092  0.165690  0.499919  1
  Al  Al406  1  0.945489  0.554314  0.541661  1
  Al  Al407  1  0.612155  0.554314  0.541661  1
  Al  Al408  1  0.278822  0.554314  0.541661  1
  Al  Al409  1  0.204357  0.739194  0.513673  1
  Al  Al410  1  0.871024  0.739194  0.513673  1
  Al  Al411  1  0.537690  0.739194  0.513673  1
  Al  Al412  1  0.278479  0.887405  0.541616  1
  Al  Al413  1  0.945146  0.887405  0.541616  1
  Al  Al414  1  0.611812  0.887405  0.541616  1
  Al  Al415  1  0.111609  0.886854  0.541497  1
  Al  Al416  1  0.778276  0.886854  0.541497  1
  Al  Al417  1  0.444943  0.886854  0.541497  1
  Al  Al418  1  0.167942  0.832298  0.499952  1
  Al  Al419  1  0.834609  0.832298  0.499952  1
  Al  Al420  1  0.501276  0.832298  0.499952  1
  Al  Al421  1  0.241460  0.979712  0.527553  1
  Al  Al422  1  0.908127  0.979712  0.527553  1
  Al  Al423  1  0.574793  0.979712  0.527553  1
  Al  Al424  1  0.907952  0.646255  0.527637  1
  Al  Al425  1  0.574619  0.646255  0.527637  1
  Al  Al426  1  0.241285  0.646255  0.527637  1
  Al  Al427  1  0.075056  0.646777  0.527735  1
  Al  Al428  1  0.741722  0.646777  0.527735  1
  Al  Al429  1  0.408389  0.646777  0.527735  1
  Al  Al430  1  0.371047  0.073022  0.513825  1
  Al  Al431  1  0.037713  0.073022  0.513825  1
  Al  Al432  1  0.704380  0.073022  0.513825  1
  Al  Al433  1  0.258812  0.182966  0.597743  1
  Al  Al434  1  0.925479  0.182966  0.597743  1
  Al  Al435  1  0.592145  0.182966  0.597743  1
  Al  Al436  1  0.519663  0.368652  0.569716  1
  Al  Al437  1  0.186330  0.368652  0.569716  1
  Al  Al438  1  0.852997  0.368652  0.569716  1
  Al  Al439  1  0.686019  0.368135  0.569585  1
  Al  Al440  1  0.352686  0.368135  0.569585  1
  Al  Al441  1  0.019353  0.368135  0.569585  1
  Al  Al442  1  0.556412  0.275737  0.583837  1
  Al  Al443  1  0.223079  0.275737  0.583837  1
  Al  Al444  1  0.889745  0.275737  0.583837  1
  Al  Al445  1  0.631092  0.423611  0.611213  1
  Al  Al446  1  0.297759  0.423611  0.611213  1
  Al  Al447  1  0.964426  0.423611  0.611213  1
  Al  Al448  1  0.294916  0.090060  0.611218  1
  Al  Al449  1  0.961583  0.090060  0.611218  1
  Al  Al450  1  0.628250  0.090060  0.611218  1
  Al  Al451  1  0.314981  0.128090  0.555706  1
  Al  Al452  1  0.981648  0.128090  0.555706  1
  Al  Al453  1  0.648315  0.128090  0.555706  1
  Al  Al454  1  0.759997  0.516263  0.597663  1
  Al  Al455  1  0.426663  0.516263  0.597663  1
  Al  Al456  1  0.093330  0.516263  0.597663  1
  Al  Al457  1  0.018864  0.700998  0.569451  1
  Al  Al458  1  0.685531  0.700998  0.569451  1
  Al  Al459  1  0.352197  0.700998  0.569451  1
  Al  Al460  1  0.093015  0.850039  0.597408  1
  Al  Al461  1  0.759682  0.850039  0.597408  1
  Al  Al462  1  0.426349  0.850039  0.597408  1
  Al  Al463  1  0.926159  0.849502  0.597307  1
  Al  Al464  1  0.592826  0.849502  0.597307  1
  Al  Al465  1  0.259493  0.849502  0.597307  1
  Al  Al466  1  0.982311  0.794976  0.555378  1
  Al  Al467  1  0.648978  0.794976  0.555378  1
  Al  Al468  1  0.315644  0.794976  0.555378  1
  Al  Al469  1  0.055282  0.941789  0.583455  1
  Al  Al470  1  0.721949  0.941789  0.583455  1
  Al  Al471  1  0.388615  0.941789  0.583455  1
  Al  Al472  1  0.722913  0.608711  0.583430  1
  Al  Al473  1  0.389580  0.608711  0.583430  1
  Al  Al474  1  0.056247  0.608711  0.583430  1
  Al  Al475  1  0.889582  0.609316  0.583581  1
  Al  Al476  1  0.556248  0.609316  0.583581  1
  Al  Al477  1  0.222915  0.609316  0.583581  1
  Al  Al478  1  0.185144  0.035369  0.569661  1
  Al  Al479  1  0.851810  0.035369  0.569661  1
  Al  Al480  1  0.518477  0.035369  0.569661  1
  Al  Al481  1  0.072677  0.145029  0.652345  1
  Al  Al482  1  0.739343  0.145029  0.652345  1
  Al  Al483  1  0.406010  0.145029  0.652345  1
  Al  Al484  1  0.333965  0.330545  0.625193  1
  Al  Al485  1  1.000632  0.330545  0.625193  1
  Al  Al486  1  0.667299  0.330545  0.625193  1
  Al  Al487  1  0.500133  0.330111  0.625161  1
  Al  Al488  1  0.166799  0.330111  0.625161  1
  Al  Al489  1  0.833466  0.330111  0.625161  1
  Al  Al490  1  0.370255  0.238249  0.639143  1
  Al  Al491  1  0.036922  0.238249  0.639143  1
  Al  Al492  1  0.703589  0.238249  0.639143  1
  Al  Al493  1  0.444711  0.384616  0.666883  1
  Al  Al494  1  0.111378  0.384616  0.666883  1
  Al  Al495  1  0.778045  0.384616  0.666883  1
  Al  Al496  1  0.110035  0.051622  0.667272  1
  Al  Al497  1  0.776702  0.051622  0.667272  1
  Al  Al498  1  0.443368  0.051622  0.667272  1
  Al  Al499  1  0.129218  0.090294  0.611555  1
  Al  Al500  1  0.795884  0.090294  0.611555  1
  Al  Al501  1  0.462551  0.090294  0.611555  1
  Al  Al502  1  0.576222  0.479683  0.652659  1
  Al  Al503  1  0.242889  0.479683  0.652659  1
  Al  Al504  1  0.909556  0.479683  0.652659  1
  Al  Al505  1  0.833596  0.663827  0.625136  1
  Al  Al506  1  0.500263  0.663827  0.625136  1
  Al  Al507  1  0.166929  0.663827  0.625136  1
  Al  Al508  1  0.907080  0.811878  0.652805  1
  Al  Al509  1  0.573747  0.811878  0.652805  1
  Al  Al510  1  0.240413  0.811878  0.652805  1
  Al  Al511  1  0.740391  0.811292  0.652786  1
  Al  Al512  1  0.407058  0.811292  0.652786  1
  Al  Al513  1  0.073724  0.811292  0.652786  1
  Al  Al514  1  0.796622  0.756629  0.611566  1
  Al  Al515  1  0.463289  0.756629  0.611566  1
  Al  Al516  1  0.129955  0.756629  0.611566  1
  Al  Al517  1  0.869974  0.904144  0.638826  1
  Al  Al518  1  0.536640  0.904144  0.638826  1
  Al  Al519  1  0.203307  0.904144  0.638826  1
  Al  Al520  1  0.537745  0.570822  0.639270  1
  Al  Al521  1  0.204411  0.570822  0.639270  1
  Al  Al522  1  0.871078  0.570822  0.639270  1
  Al  Al523  1  0.704853  0.571140  0.639193  1
  Al  Al524  1  0.371519  0.571140  0.639193  1
  Al  Al525  1  0.038186  0.571140  0.639193  1
  Al  Al526  1  0.999268  0.997333  0.625134  1
  Al  Al527  1  0.665935  0.997333  0.625134  1
  Al  Al528  1  0.332601  0.997333  0.625134  1
  Al  Al529  1  0.885066  0.106737  0.708072  1
  Al  Al530  1  0.551733  0.106737  0.708072  1
  Al  Al531  1  0.218399  0.106737  0.708072  1
  Al  Al532  1  0.147050  0.293800  0.681561  1
  Al  Al533  1  0.813717  0.293800  0.681561  1
  Al  Al534  1  0.480383  0.293800  0.681561  1
  Al  Al535  1  0.315670  0.293020  0.681222  1
  Al  Al536  1  0.982337  0.293020  0.681222  1
  Al  Al537  1  0.649004  0.293020  0.681222  1
  Al  Al538  1  0.184249  0.201399  0.695510  1
  Al  Al539  1  0.850916  0.201399  0.695510  1
  Al  Al540  1  0.517583  0.201399  0.695510  1
  Al  Al541  1  0.260276  0.348956  0.719337  1
  Al  Al542  1  0.926943  0.348956  0.719337  1
  Al  Al543  1  0.593610  0.348956  0.719337  1
  Al  Al544  1  0.927437  0.015938  0.718964  1
  Al  Al545  1  0.594104  0.015938  0.718964  1
  Al  Al546  1  0.260771  0.015938  0.718964  1
  Al  Al547  1  0.943813  0.052801  0.665942  1
  Al  Al548  1  0.610479  0.052801  0.665942  1
  Al  Al549  1  0.277146  0.052801  0.665942  1
  Al  Al550  1  0.391795  0.438800  0.707865  1
  Al  Al551  1  0.058461  0.438800  0.707865  1
  Al  Al552  1  0.725128  0.438800  0.707865  1
  Al  Al553  1  0.649445  0.625737  0.681274  1
  Al  Al554  1  0.316112  0.625737  0.681274  1
  Al  Al555  1  0.982778  0.625737  0.681274  1
  Al  Al556  1  0.719670  0.772985  0.707522  1
  Al  Al557  1  0.386337  0.772985  0.707522  1
  Al  Al558  1  0.053004  0.772985  0.707522  1
  Al  Al559  1  0.552597  0.774784  0.707842  1
  Al  Al560  1  0.219264  0.774784  0.707842  1
  Al  Al561  1  0.885930  0.774784  0.707842  1
  Al  Al562  1  0.611283  0.720634  0.665609  1
  Al  Al563  1  0.277950  0.720634  0.665609  1
  Al  Al564  1  0.944616  0.720634  0.665609  1
  Al  Al565  1  0.684557  0.866781  0.694872  1
  Al  Al566  1  0.351223  0.866781  0.694872  1
  Al  Al567  1  0.017890  0.866781  0.694872  1
  Al  Al568  1  0.354525  0.533178  0.695056  1
  Al  Al569  1  0.021192  0.533178  0.695056  1
  Al  Al570  1  0.687858  0.533178  0.695056  1
  Al  Al571  1  0.520140  0.533843  0.695080  1
  Al  Al572  1  0.186807  0.533843  0.695080  1
  Al  Al573  1  0.853473  0.533843  0.695080  1
  Al  Al574  1  0.813459  0.960136  0.681311  1
  Al  Al575  1  0.480126  0.960136  0.681311  1
  Al  Al576  1  0.146793  0.960136  0.681311  1
