# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22342819
_cell_length_b   24.85788565
_cell_length_c   49.42590260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.00561570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti128 Al256'
_cell_volume   13435.6422157
_cell_formula_units_Z   128
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  0.971337  0.701407  0.287961  1
  Ti  Ti2  1  0.471337  0.701407  0.287961  1
  Ti  Ti3  1  0.983895  0.451425  0.287946  1
  Ti  Ti4  1  0.483895  0.451425  0.287946  1
  Ti  Ti5  1  0.633898  0.515272  0.322772  1
  Ti  Ti6  1  0.133898  0.515272  0.322772  1
  Ti  Ti7  1  0.885259  0.765278  0.322762  1
  Ti  Ti8  1  0.385259  0.765278  0.322762  1
  Ti  Ti9  1  0.721337  0.201407  0.287961  1
  Ti  Ti10  1  0.221337  0.201407  0.287961  1
  Ti  Ti11  1  0.233895  0.951425  0.287946  1
  Ti  Ti12  1  0.733895  0.951425  0.287946  1
  Ti  Ti13  1  0.383898  0.015272  0.322772  1
  Ti  Ti14  1  0.883898  0.015272  0.322772  1
  Ti  Ti15  1  0.635259  0.265278  0.322762  1
  Ti  Ti16  1  0.135259  0.265278  0.322762  1
  Ti  Ti17  1  0.711647  0.672625  0.340518  1
  Ti  Ti18  1  0.211647  0.672625  0.340518  1
  Ti  Ti19  1  0.714752  0.422635  0.340508  1
  Ti  Ti20  1  0.214752  0.422635  0.340508  1
  Ti  Ti21  1  0.371269  0.488092  0.378153  1
  Ti  Ti22  1  0.871269  0.488092  0.378153  1
  Ti  Ti23  1  0.620627  0.738099  0.378137  1
  Ti  Ti24  1  0.120627  0.738099  0.378137  1
  Ti  Ti25  1  0.461647  0.172625  0.340518  1
  Ti  Ti26  1  0.961647  0.172625  0.340518  1
  Ti  Ti27  1  0.964752  0.922635  0.340508  1
  Ti  Ti28  1  0.464752  0.922635  0.340508  1
  Ti  Ti29  1  0.121269  0.988092  0.378153  1
  Ti  Ti30  1  0.621269  0.988092  0.378153  1
  Ti  Ti31  1  0.370627  0.238099  0.378137  1
  Ti  Ti32  1  0.870627  0.238099  0.378137  1
  Ti  Ti33  1  0.449894  0.645963  0.397245  1
  Ti  Ti34  1  0.949894  0.645963  0.397245  1
  Ti  Ti35  1  0.449783  0.395972  0.397231  1
  Ti  Ti36  1  0.949783  0.395972  0.397231  1
  Ti  Ti37  1  0.107510  0.461056  0.434025  1
  Ti  Ti38  1  0.607510  0.461056  0.434025  1
  Ti  Ti39  1  0.357304  0.711064  0.434013  1
  Ti  Ti40  1  0.857304  0.711064  0.434013  1
  Ti  Ti41  1  0.199894  0.145963  0.397245  1
  Ti  Ti42  1  0.699894  0.145963  0.397245  1
  Ti  Ti43  1  0.699783  0.895972  0.397231  1
  Ti  Ti44  1  0.199783  0.895972  0.397231  1
  Ti  Ti45  1  0.857510  0.961056  0.434025  1
  Ti  Ti46  1  0.357510  0.961056  0.434025  1
  Ti  Ti47  1  0.107304  0.211064  0.434013  1
  Ti  Ti48  1  0.607304  0.211064  0.434013  1
  Ti  Ti49  1  0.186486  0.619248  0.452422  1
  Ti  Ti50  1  0.686486  0.619248  0.452422  1
  Ti  Ti51  1  0.186405  0.369255  0.452409  1
  Ti  Ti52  1  0.686405  0.369255  0.452409  1
  Ti  Ti53  1  0.844191  0.434347  0.489577  1
  Ti  Ti54  1  0.344191  0.434347  0.489577  1
  Ti  Ti55  1  0.093843  0.684356  0.489563  1
  Ti  Ti56  1  0.593843  0.684356  0.489563  1
  Ti  Ti57  1  0.936486  0.119248  0.452422  1
  Ti  Ti58  1  0.436486  0.119248  0.452422  1
  Ti  Ti59  1  0.436405  0.869255  0.452409  1
  Ti  Ti60  1  0.936405  0.869255  0.452409  1
  Ti  Ti61  1  0.594191  0.934347  0.489577  1
  Ti  Ti62  1  0.094191  0.934347  0.489577  1
  Ti  Ti63  1  0.843843  0.184356  0.489563  1
  Ti  Ti64  1  0.343843  0.184356  0.489563  1
  Ti  Ti65  1  0.923118  0.592302  0.508270  1
  Ti  Ti66  1  0.423118  0.592302  0.508270  1
  Ti  Ti67  1  0.922770  0.342311  0.508256  1
  Ti  Ti68  1  0.422770  0.342311  0.508256  1
  Ti  Ti69  1  0.580557  0.407403  0.545424  1
  Ti  Ti70  1  0.080557  0.407403  0.545424  1
  Ti  Ti71  1  0.830475  0.657410  0.545411  1
  Ti  Ti72  1  0.330475  0.657410  0.545411  1
  Ti  Ti73  1  0.673118  0.092302  0.508270  1
  Ti  Ti74  1  0.173118  0.092302  0.508270  1
  Ti  Ti75  1  0.172770  0.842311  0.508256  1
  Ti  Ti76  1  0.672770  0.842311  0.508256  1
  Ti  Ti77  1  0.330557  0.907403  0.545424  1
  Ti  Ti78  1  0.830557  0.907403  0.545424  1
  Ti  Ti79  1  0.580475  0.157410  0.545411  1
  Ti  Ti80  1  0.080475  0.157410  0.545411  1
  Ti  Ti81  1  0.659657  0.565594  0.563820  1
  Ti  Ti82  1  0.159657  0.565594  0.563820  1
  Ti  Ti83  1  0.659451  0.315602  0.563808  1
  Ti  Ti84  1  0.159451  0.315602  0.563808  1
  Ti  Ti85  1  0.317178  0.380686  0.600601  1
  Ti  Ti86  1  0.817178  0.380686  0.600601  1
  Ti  Ti87  1  0.567067  0.630695  0.600587  1
  Ti  Ti88  1  0.067067  0.630695  0.600587  1
  Ti  Ti89  1  0.409657  0.065594  0.563820  1
  Ti  Ti90  1  0.909657  0.065594  0.563820  1
  Ti  Ti91  1  0.909451  0.815602  0.563808  1
  Ti  Ti92  1  0.409451  0.815602  0.563808  1
  Ti  Ti93  1  0.067178  0.880686  0.600601  1
  Ti  Ti94  1  0.567178  0.880686  0.600601  1
  Ti  Ti95  1  0.317067  0.130695  0.600587  1
  Ti  Ti96  1  0.817067  0.130695  0.600587  1
  Ti  Ti97  1  0.396334  0.538559  0.619696  1
  Ti  Ti98  1  0.896334  0.538559  0.619696  1
  Ti  Ti99  1  0.395692  0.288566  0.619680  1
  Ti  Ti100  1  0.895692  0.288566  0.619680  1
  Ti  Ti101  1  0.052209  0.354023  0.657325  1
  Ti  Ti102  1  0.552209  0.354023  0.657325  1
  Ti  Ti103  1  0.305314  0.604033  0.657315  1
  Ti  Ti104  1  0.805314  0.604033  0.657315  1
  Ti  Ti105  1  0.146334  0.038559  0.619696  1
  Ti  Ti106  1  0.646334  0.038559  0.619696  1
  Ti  Ti107  1  0.645692  0.788566  0.619680  1
  Ti  Ti108  1  0.145692  0.788566  0.619680  1
  Ti  Ti109  1  0.802209  0.854023  0.657325  1
  Ti  Ti110  1  0.302209  0.854023  0.657325  1
  Ti  Ti111  1  0.055314  0.104033  0.657315  1
  Ti  Ti112  1  0.555314  0.104033  0.657315  1
  Ti  Ti113  1  0.131702  0.511380  0.675071  1
  Ti  Ti114  1  0.631702  0.511380  0.675071  1
  Ti  Ti115  1  0.133063  0.261386  0.675061  1
  Ti  Ti116  1  0.633063  0.261386  0.675061  1
  Ti  Ti117  1  0.783066  0.325233  0.709887  1
  Ti  Ti118  1  0.283066  0.325233  0.709887  1
  Ti  Ti119  1  0.045624  0.575251  0.709872  1
  Ti  Ti120  1  0.545624  0.575251  0.709872  1
  Ti  Ti121  1  0.881702  0.011380  0.675071  1
  Ti  Ti122  1  0.381702  0.011380  0.675071  1
  Ti  Ti123  1  0.383063  0.761386  0.675061  1
  Ti  Ti124  1  0.883063  0.761386  0.675061  1
  Ti  Ti125  1  0.533066  0.825233  0.709887  1
  Ti  Ti126  1  0.033066  0.825233  0.709887  1
  Ti  Ti127  1  0.795624  0.075251  0.709872  1
  Ti  Ti128  1  0.295624  0.075251  0.709872  1
  Al  Al129  1  0.733235  0.451890  0.286961  1
  Al  Al130  1  0.233235  0.451890  0.286961  1
  Al  Al131  1  0.802038  0.607332  0.303711  1
  Al  Al132  1  0.302038  0.607332  0.303711  1
  Al  Al133  1  0.053819  0.607048  0.303662  1
  Al  Al134  1  0.553819  0.607048  0.303662  1
  Al  Al135  1  0.884707  0.516886  0.323128  1
  Al  Al136  1  0.384707  0.516886  0.323128  1
  Al  Al137  1  0.222494  0.701885  0.286973  1
  Al  Al138  1  0.722494  0.701885  0.286973  1
  Al  Al139  1  0.807111  0.357060  0.303650  1
  Al  Al140  1  0.307111  0.357060  0.303650  1
  Al  Al141  1  0.559183  0.357350  0.303701  1
  Al  Al142  1  0.059183  0.357350  0.303701  1
  Al  Al143  1  0.136032  0.766907  0.323110  1
  Al  Al144  1  0.636032  0.766907  0.323110  1
  Al  Al145  1  0.483235  0.951890  0.286961  1
  Al  Al146  1  0.983235  0.951890  0.286961  1
  Al  Al147  1  0.552038  0.107332  0.303711  1
  Al  Al148  1  0.052038  0.107332  0.303711  1
  Al  Al149  1  0.303819  0.107048  0.303662  1
  Al  Al150  1  0.803819  0.107048  0.303662  1
  Al  Al151  1  0.134707  0.016886  0.323128  1
  Al  Al152  1  0.634707  0.016886  0.323128  1
  Al  Al153  1  0.472494  0.201885  0.286973  1
  Al  Al154  1  0.972494  0.201885  0.286973  1
  Al  Al155  1  0.057111  0.857060  0.303650  1
  Al  Al156  1  0.557111  0.857060  0.303650  1
  Al  Al157  1  0.309183  0.857350  0.303701  1
  Al  Al158  1  0.809183  0.857350  0.303701  1
  Al  Al159  1  0.386032  0.266907  0.323110  1
  Al  Al160  1  0.886032  0.266907  0.323110  1
  Al  Al161  1  0.464148  0.421530  0.341907  1
  Al  Al162  1  0.964148  0.421530  0.341907  1
  Al  Al163  1  0.542290  0.581041  0.359942  1
  Al  Al164  1  0.042290  0.581041  0.359942  1
  Al  Al165  1  0.791277  0.580534  0.359904  1
  Al  Al166  1  0.291277  0.580534  0.359904  1
  Al  Al167  1  0.621669  0.488060  0.378229  1
  Al  Al168  1  0.121669  0.488060  0.378229  1
  Al  Al169  1  0.961169  0.671509  0.341923  1
  Al  Al170  1  0.461169  0.671509  0.341923  1
  Al  Al171  1  0.543053  0.330541  0.359892  1
  Al  Al172  1  0.043053  0.330541  0.359892  1
  Al  Al173  1  0.292565  0.331054  0.359927  1
  Al  Al174  1  0.792565  0.331054  0.359927  1
  Al  Al175  1  0.870166  0.738073  0.378216  1
  Al  Al176  1  0.370166  0.738073  0.378216  1
  Al  Al177  1  0.214148  0.921530  0.341907  1
  Al  Al178  1  0.714148  0.921530  0.341907  1
  Al  Al179  1  0.292290  0.081041  0.359942  1
  Al  Al180  1  0.792290  0.081041  0.359942  1
  Al  Al181  1  0.041277  0.080534  0.359904  1
  Al  Al182  1  0.541277  0.080534  0.359904  1
  Al  Al183  1  0.871669  0.988060  0.378229  1
  Al  Al184  1  0.371669  0.988060  0.378229  1
  Al  Al185  1  0.211169  0.171509  0.341923  1
  Al  Al186  1  0.711169  0.171509  0.341923  1
  Al  Al187  1  0.793053  0.830541  0.359892  1
  Al  Al188  1  0.293053  0.830541  0.359892  1
  Al  Al189  1  0.042565  0.831054  0.359927  1
  Al  Al190  1  0.542565  0.831054  0.359927  1
  Al  Al191  1  0.120166  0.238073  0.378216  1
  Al  Al192  1  0.620166  0.238073  0.378216  1
  Al  Al193  1  0.199732  0.395784  0.396633  1
  Al  Al194  1  0.699732  0.395784  0.396633  1
  Al  Al195  1  0.278663  0.553728  0.415424  1
  Al  Al196  1  0.778663  0.553728  0.415424  1
  Al  Al197  1  0.528808  0.553126  0.415332  1
  Al  Al198  1  0.028808  0.553126  0.415332  1
  Al  Al199  1  0.357829  0.461880  0.434003  1
  Al  Al200  1  0.857829  0.461880  0.434003  1
  Al  Al201  1  0.699789  0.645773  0.396647  1
  Al  Al202  1  0.199789  0.645773  0.396647  1
  Al  Al203  1  0.278043  0.303137  0.415317  1
  Al  Al204  1  0.778043  0.303137  0.415317  1
  Al  Al205  1  0.028793  0.303734  0.415411  1
  Al  Al206  1  0.528793  0.303734  0.415411  1
  Al  Al207  1  0.607779  0.711895  0.433986  1
  Al  Al208  1  0.107779  0.711895  0.433986  1
  Al  Al209  1  0.949732  0.895784  0.396633  1
  Al  Al210  1  0.449732  0.895784  0.396633  1
  Al  Al211  1  0.028663  0.053728  0.415424  1
  Al  Al212  1  0.528663  0.053728  0.415424  1
  Al  Al213  1  0.778808  0.053126  0.415332  1
  Al  Al214  1  0.278808  0.053126  0.415332  1
  Al  Al215  1  0.607829  0.961880  0.434003  1
  Al  Al216  1  0.107829  0.961880  0.434003  1
  Al  Al217  1  0.949789  0.145773  0.396647  1
  Al  Al218  1  0.449789  0.145773  0.396647  1
  Al  Al219  1  0.528043  0.803137  0.415317  1
  Al  Al220  1  0.028043  0.803137  0.415317  1
  Al  Al221  1  0.778793  0.803734  0.415411  1
  Al  Al222  1  0.278793  0.803734  0.415411  1
  Al  Al223  1  0.857779  0.211895  0.433986  1
  Al  Al224  1  0.357779  0.211895  0.433986  1
  Al  Al225  1  0.936021  0.368516  0.452600  1
  Al  Al226  1  0.436021  0.368516  0.452600  1
  Al  Al227  1  0.015633  0.527085  0.471143  1
  Al  Al228  1  0.515633  0.527085  0.471143  1
  Al  Al229  1  0.265079  0.526507  0.471072  1
  Al  Al230  1  0.765079  0.526507  0.471072  1
  Al  Al231  1  0.094421  0.434726  0.489726  1
  Al  Al232  1  0.594421  0.434726  0.489726  1
  Al  Al233  1  0.436159  0.618500  0.452616  1
  Al  Al234  1  0.936159  0.618500  0.452616  1
  Al  Al235  1  0.015093  0.276516  0.471059  1
  Al  Al236  1  0.515093  0.276516  0.471059  1
  Al  Al237  1  0.765129  0.277096  0.471129  1
  Al  Al238  1  0.265129  0.277096  0.471129  1
  Al  Al239  1  0.343962  0.684739  0.489712  1
  Al  Al240  1  0.843962  0.684739  0.489712  1
  Al  Al241  1  0.686021  0.868516  0.452600  1
  Al  Al242  1  0.186021  0.868516  0.452600  1
  Al  Al243  1  0.765633  0.027085  0.471143  1
  Al  Al244  1  0.265633  0.027085  0.471143  1
  Al  Al245  1  0.515079  0.026507  0.471072  1
  Al  Al246  1  0.015079  0.026507  0.471072  1
  Al  Al247  1  0.344421  0.934726  0.489726  1
  Al  Al248  1  0.844421  0.934726  0.489726  1
  Al  Al249  1  0.686159  0.118500  0.452616  1
  Al  Al250  1  0.186159  0.118500  0.452616  1
  Al  Al251  1  0.265093  0.776516  0.471059  1
  Al  Al252  1  0.765093  0.776516  0.471059  1
  Al  Al253  1  0.515129  0.777096  0.471129  1
  Al  Al254  1  0.015129  0.777096  0.471129  1
  Al  Al255  1  0.593962  0.184739  0.489712  1
  Al  Al256  1  0.093962  0.184739  0.489712  1
  Al  Al257  1  0.672540  0.341932  0.508106  1
  Al  Al258  1  0.172540  0.341932  0.508106  1
  Al  Al259  1  0.751868  0.500142  0.526774  1
  Al  Al260  1  0.251868  0.500142  0.526774  1
  Al  Al261  1  1.001833  0.499562  0.526704  1
  Al  Al262  1  0.501833  0.499562  0.526704  1
  Al  Al263  1  0.830940  0.408142  0.545232  1
  Al  Al264  1  0.330940  0.408142  0.545232  1
  Al  Al265  1  0.172999  0.591919  0.508121  1
  Al  Al266  1  0.672999  0.591919  0.508121  1
  Al  Al267  1  0.751328  0.249573  0.526690  1
  Al  Al268  1  0.251328  0.249573  0.526690  1
  Al  Al269  1  0.501882  0.250151  0.526761  1
  Al  Al270  1  1.001882  0.250151  0.526761  1
  Al  Al271  1  0.080802  0.658158  0.545217  1
  Al  Al272  1  0.580802  0.658158  0.545217  1
  Al  Al273  1  0.422540  0.841932  0.508106  1
  Al  Al274  1  0.922540  0.841932  0.508106  1
  Al  Al275  1  0.501868  1.000142  0.526774  1
  Al  Al276  1  1.001868  1.000142  0.526774  1
  Al  Al277  1  0.251833  0.999562  0.526704  1
  Al  Al278  1  0.751833  0.999562  0.526704  1
  Al  Al279  1  0.080940  0.908142  0.545232  1
  Al  Al280  1  0.580940  0.908142  0.545232  1
  Al  Al281  1  0.422999  0.091919  0.508121  1
  Al  Al282  1  0.922999  0.091919  0.508121  1
  Al  Al283  1  1.001328  0.749573  0.526690  1
  Al  Al284  1  0.501328  0.749573  0.526690  1
  Al  Al285  1  0.251882  0.750151  0.526761  1
  Al  Al286  1  0.751882  0.750151  0.526761  1
  Al  Al287  1  0.330802  0.158158  0.545217  1
  Al  Al288  1  0.830802  0.158158  0.545217  1
  Al  Al289  1  0.409132  0.314779  0.563830  1
  Al  Al290  1  0.909132  0.314779  0.563830  1
  Al  Al291  1  0.488918  0.473521  0.582516  1
  Al  Al292  1  0.988918  0.473521  0.582516  1
  Al  Al293  1  0.738168  0.472924  0.582422  1
  Al  Al294  1  0.238168  0.472924  0.582422  1
  Al  Al295  1  0.567229  0.380874  0.601200  1
  Al  Al296  1  0.067229  0.380874  0.601200  1
  Al  Al297  1  0.909183  0.564763  0.563847  1
  Al  Al298  1  0.409183  0.564763  0.563847  1
  Al  Al299  1  0.488298  0.222930  0.582409  1
  Al  Al300  1  0.988298  0.222930  0.582409  1
  Al  Al301  1  0.238153  0.223532  0.582501  1
  Al  Al302  1  0.738153  0.223532  0.582501  1
  Al  Al303  1  0.817172  0.630885  0.601186  1
  Al  Al304  1  0.317172  0.630885  0.601186  1
  Al  Al305  1  0.159132  0.814779  0.563830  1
  Al  Al306  1  0.659132  0.814779  0.563830  1
  Al  Al307  1  0.238918  0.973521  0.582516  1
  Al  Al308  1  0.738918  0.973521  0.582516  1
  Al  Al309  1  0.988168  0.972924  0.582422  1
  Al  Al310  1  0.488168  0.972924  0.582422  1
  Al  Al311  1  0.817229  0.880874  0.601200  1
  Al  Al312  1  0.317229  0.880874  0.601200  1
  Al  Al313  1  0.159183  0.064763  0.563847  1
  Al  Al314  1  0.659183  0.064763  0.563847  1
  Al  Al315  1  0.738298  0.722930  0.582409  1
  Al  Al316  1  0.238298  0.722930  0.582409  1
  Al  Al317  1  0.988153  0.723532  0.582501  1
  Al  Al318  1  0.488153  0.723532  0.582501  1
  Al  Al319  1  0.067172  0.130885  0.601186  1
  Al  Al320  1  0.567172  0.130885  0.601186  1
  Al  Al321  1  0.145292  0.288598  0.619604  1
  Al  Al322  1  0.645292  0.288598  0.619604  1
  Al  Al323  1  0.223908  0.446117  0.637941  1
  Al  Al324  1  0.723908  0.446117  0.637941  1
  Al  Al325  1  0.474396  0.445604  0.637906  1
  Al  Al326  1  0.974396  0.445604  0.637906  1
  Al  Al327  1  0.302813  0.355128  0.655926  1
  Al  Al328  1  0.802813  0.355128  0.655926  1
  Al  Al329  1  0.646796  0.538585  0.619617  1
  Al  Al330  1  0.146796  0.538585  0.619617  1
  Al  Al331  1  0.224672  0.195617  0.637891  1
  Al  Al332  1  0.724672  0.195617  0.637891  1
  Al  Al333  1  0.975684  0.196124  0.637929  1
  Al  Al334  1  0.475684  0.196124  0.637929  1
  Al  Al335  1  0.555792  0.605150  0.655910  1
  Al  Al336  1  0.055792  0.605150  0.655910  1
  Al  Al337  1  0.895292  0.788598  0.619604  1
  Al  Al338  1  0.395292  0.788598  0.619604  1
  Al  Al339  1  0.973908  0.946117  0.637941  1
  Al  Al340  1  0.473908  0.946117  0.637941  1
  Al  Al341  1  0.724396  0.945604  0.637906  1
  Al  Al342  1  0.224396  0.945604  0.637906  1
  Al  Al343  1  0.552813  0.855128  0.655926  1
  Al  Al344  1  0.052813  0.855128  0.655926  1
  Al  Al345  1  0.896796  0.038585  0.619617  1
  Al  Al346  1  0.396796  0.038585  0.619617  1
  Al  Al347  1  0.474672  0.695617  0.637891  1
  Al  Al348  1  0.974672  0.695617  0.637891  1
  Al  Al349  1  0.725684  0.696124  0.637929  1
  Al  Al350  1  0.225684  0.696124  0.637929  1
  Al  Al351  1  0.805792  0.105150  0.655910  1
  Al  Al352  1  0.305792  0.105150  0.655910  1
  Al  Al353  1  0.882254  0.259772  0.674705  1
  Al  Al354  1  0.382254  0.259772  0.674705  1
  Al  Al355  1  0.959850  0.419599  0.694183  1
  Al  Al356  1  0.459850  0.419599  0.694183  1
  Al  Al357  1  0.207778  0.419308  0.694132  1
  Al  Al358  1  0.707778  0.419308  0.694132  1
  Al  Al359  1  0.033726  0.324768  0.710872  1
  Al  Al360  1  0.533726  0.324768  0.710872  1
  Al  Al361  1  0.380929  0.509751  0.674723  1
  Al  Al362  1  0.880929  0.509751  0.674723  1
  Al  Al363  1  0.964923  0.169326  0.694122  1
  Al  Al364  1  0.464923  0.169326  0.694122  1
  Al  Al365  1  0.713142  0.169610  0.694171  1
  Al  Al366  1  0.213142  0.169610  0.694171  1
  Al  Al367  1  0.294467  0.574773  0.710860  1
  Al  Al368  1  0.794467  0.574773  0.710860  1
  Al  Al369  1  0.632254  0.759772  0.674705  1
  Al  Al370  1  0.132254  0.759772  0.674705  1
  Al  Al371  1  0.709850  0.919599  0.694183  1
  Al  Al372  1  0.209850  0.919599  0.694183  1
  Al  Al373  1  0.457778  0.919308  0.694132  1
  Al  Al374  1  0.957778  0.919308  0.694132  1
  Al  Al375  1  0.283726  0.824768  0.710872  1
  Al  Al376  1  0.783726  0.824768  0.710872  1
  Al  Al377  1  0.630929  0.009751  0.674723  1
  Al  Al378  1  0.130929  0.009751  0.674723  1
  Al  Al379  1  0.214923  0.669326  0.694122  1
  Al  Al380  1  0.714923  0.669326  0.694122  1
  Al  Al381  1  0.463142  0.669610  0.694171  1
  Al  Al382  1  0.963142  0.669610  0.694171  1
  Al  Al383  1  0.544467  0.074773  0.710860  1
  Al  Al384  1  0.044467  0.074773  0.710860  1
