# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61684259
_cell_length_b   47.26737825
_cell_length_c   47.88376567
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.39043077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti128 Al256'
_cell_volume   12690.5738458
_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  0.695883  0.401405  0.317042  1
  Ti  Ti2  1  0.447864  0.904160  0.288982  1
  Ti  Ti3  1  0.400712  0.279715  0.281821  1
  Ti  Ti4  1  0.641777  0.776989  0.309849  1
  Ti  Ti5  1  0.659511  0.318360  0.312348  1
  Ti  Ti6  1  0.423409  0.819070  0.284063  1
  Ti  Ti7  1  0.959272  0.443694  0.291017  1
  Ti  Ti8  1  0.228806  0.943056  0.319384  1
  Ti  Ti9  1  0.078369  0.152358  0.302642  1
  Ti  Ti10  1  0.816101  0.655229  0.274528  1
  Ti  Ti11  1  0.785525  0.031047  0.267998  1
  Ti  Ti12  1  0.011740  0.528050  0.295353  1
  Ti  Ti13  1  0.041492  0.069357  0.297957  1
  Ti  Ti14  1  0.791307  0.570221  0.269728  1
  Ti  Ti15  1  0.338947  0.194425  0.276848  1
  Ti  Ti16  1  0.595972  0.693959  0.305004  1
  Ti  Ti17  1  0.197280  0.397969  0.376132  1
  Ti  Ti18  1  0.954136  0.899889  0.346137  1
  Ti  Ti19  1  0.888708  0.275205  0.338958  1
  Ti  Ti20  1  0.138567  0.773620  0.368767  1
  Ti  Ti21  1  0.156723  0.314704  0.371238  1
  Ti  Ti22  1  0.912249  0.816655  0.341338  1
  Ti  Ti23  1  0.465071  0.440836  0.348681  1
  Ti  Ti24  1  0.724662  0.939385  0.378352  1
  Ti  Ti25  1  0.577949  0.149026  0.361572  1
  Ti  Ti26  1  0.323630  0.650834  0.331734  1
  Ti  Ti27  1  0.271725  0.025713  0.323967  1
  Ti  Ti28  1  0.507326  0.524185  0.353785  1
  Ti  Ti29  1  0.538106  0.065490  0.356617  1
  Ti  Ti30  1  0.282007  0.567489  0.326780  1
  Ti  Ti31  1  0.847488  0.192069  0.334090  1
  Ti  Ti32  1  0.095779  0.690255  0.363910  1
  Ti  Ti33  1  0.696189  0.394477  0.435127  1
  Ti  Ti34  1  0.451938  0.896202  0.405708  1
  Ti  Ti35  1  0.386109  0.271545  0.398522  1
  Ti  Ti36  1  0.636791  0.770035  0.427743  1
  Ti  Ti37  1  0.655570  0.311193  0.430258  1
  Ti  Ti38  1  0.409080  0.813223  0.400882  1
  Ti  Ti39  1  0.966870  0.437558  0.408254  1
  Ti  Ti40  1  0.221511  0.935721  0.437553  1
  Ti  Ti41  1  0.075554  0.145360  0.420478  1
  Ti  Ti42  1  0.823329  0.647034  0.391171  1
  Ti  Ti43  1  0.765620  0.022409  0.383942  1
  Ti  Ti44  1  0.008067  0.520666  0.412968  1
  Ti  Ti45  1  0.034976  0.062051  0.415575  1
  Ti  Ti46  1  0.779934  0.563923  0.386213  1
  Ti  Ti47  1  0.346711  0.188583  0.393670  1
  Ti  Ti48  1  0.593992  0.686702  0.422857  1
  Ti  Ti49  1  0.194748  0.390930  0.494073  1
  Ti  Ti50  1  0.949567  0.892772  0.464532  1
  Ti  Ti51  1  0.884913  0.268162  0.457289  1
  Ti  Ti52  1  0.134929  0.766409  0.486631  1
  Ti  Ti53  1  0.153923  0.307737  0.489176  1
  Ti  Ti54  1  0.907385  0.809539  0.459630  1
  Ti  Ti55  1  0.465525  0.434028  0.467028  1
  Ti  Ti56  1  0.719462  0.932309  0.496458  1
  Ti  Ti57  1  0.573453  0.141747  0.479390  1
  Ti  Ti58  1  0.321570  0.643592  0.449869  1
  Ti  Ti59  1  0.263294  0.018971  0.442429  1
  Ti  Ti60  1  0.507188  0.517226  0.471919  1
  Ti  Ti61  1  0.532650  0.058552  0.474466  1
  Ti  Ti62  1  0.279371  0.560267  0.444925  1
  Ti  Ti63  1  0.844168  0.184868  0.452383  1
  Ti  Ti64  1  0.092331  0.683184  0.481738  1
  Ti  Ti65  1  0.692924  0.387472  0.553106  1
  Ti  Ti66  1  0.447927  0.889187  0.523566  1
  Ti  Ti67  1  0.382979  0.264556  0.516282  1
  Ti  Ti68  1  0.633126  0.762872  0.545637  1
  Ti  Ti69  1  0.651870  0.304146  0.548163  1
  Ti  Ti70  1  0.405604  0.805992  0.518642  1
  Ti  Ti71  1  0.963859  0.430514  0.526101  1
  Ti  Ti72  1  0.218212  0.928769  0.555592  1
  Ti  Ti73  1  0.071675  0.138201  0.538402  1
  Ti  Ti74  1  0.820019  0.640002  0.508856  1
  Ti  Ti75  1  0.760988  0.015431  0.501562  1
  Ti  Ti76  1  0.005326  0.513712  0.530992  1
  Ti  Ti77  1  0.030694  0.054967  0.533500  1
  Ti  Ti78  1  0.777721  0.556809  0.503959  1
  Ti  Ti79  1  0.342423  0.181331  0.511389  1
  Ti  Ti80  1  0.590648  0.679578  0.540731  1
  Ti  Ti81  1  0.189815  0.383816  0.611818  1
  Ti  Ti82  1  0.946736  0.885689  0.582456  1
  Ti  Ti83  1  0.881109  0.261038  0.575163  1
  Ti  Ti84  1  0.131944  0.759157  0.604350  1
  Ti  Ti85  1  0.150175  0.300705  0.606861  1
  Ti  Ti86  1  0.904082  0.802380  0.577554  1
  Ti  Ti87  1  0.461282  0.427073  0.585052  1
  Ti  Ti88  1  0.717076  0.925331  0.614078  1
  Ti  Ti89  1  0.569676  0.134516  0.597150  1
  Ti  Ti90  1  0.318197  0.636546  0.567773  1
  Ti  Ti91  1  0.259608  0.012019  0.560468  1
  Ti  Ti92  1  0.503123  0.510182  0.589767  1
  Ti  Ti93  1  0.529621  0.051537  0.592325  1
  Ti  Ti94  1  0.275604  0.553262  0.562904  1
  Ti  Ti95  1  0.840651  0.177705  0.570277  1
  Ti  Ti96  1  0.088453  0.676195  0.599498  1
  Ti  Ti97  1  0.688302  0.380250  0.671251  1
  Ti  Ti98  1  0.446415  0.882250  0.641416  1
  Ti  Ti99  1  0.379339  0.257485  0.634110  1
  Ti  Ti100  1  0.629229  0.755670  0.663931  1
  Ti  Ti101  1  0.646669  0.296905  0.666298  1
  Ti  Ti102  1  0.402794  0.798712  0.636461  1
  Ti  Ti103  1  0.956996  0.423555  0.644236  1
  Ti  Ti104  1  0.219839  0.922028  0.674055  1
  Ti  Ti105  1  0.069405  0.131085  0.656693  1
  Ti  Ti106  1  0.815836  0.633035  0.626794  1
  Ti  Ti107  1  0.759082  0.008355  0.619668  1
  Ti  Ti108  1  0.998026  0.506904  0.649337  1
  Ti  Ti109  1  0.028124  0.047851  0.651895  1
  Ti  Ti110  1  0.773184  0.549769  0.621900  1
  Ti  Ti111  1  0.338831  0.174120  0.629253  1
  Ti  Ti112  1  0.587391  0.672534  0.659062  1
  Ti  Ti113  1  0.194867  0.377521  0.728303  1
  Ti  Ti114  1  0.945919  0.878383  0.700073  1
  Ti  Ti115  1  0.875837  0.253780  0.693017  1
  Ti  Ti116  1  0.118358  0.753313  0.721173  1
  Ti  Ti117  1  0.134737  0.292509  0.723503  1
  Ti  Ti118  1  0.899877  0.795380  0.695389  1
  Ti  Ti119  1  0.457482  0.419690  0.702665  1
  Ti  Ti120  1  0.728270  0.916695  0.730022  1
  Ti  Ti121  1  0.578177  0.128671  0.713969  1
  Ti  Ti122  1  0.314975  0.629380  0.685682  1
  Ti  Ti123  1  0.259518  0.004684  0.678637  1
  Ti  Ti124  1  0.489331  0.504041  0.707006  1
  Ti  Ti125  1  0.517555  0.043578  0.709050  1
  Ti  Ti126  1  0.268333  0.546333  0.680988  1
  Ti  Ti127  1  0.838668  0.170752  0.688172  1
  Ti  Ti128  1  0.094876  0.668026  0.716199  1
  Al  Al129  1  0.898471  0.279490  0.281453  1
  Al  Al130  1  0.140937  0.776269  0.309993  1
  Al  Al131  1  0.925334  0.361871  0.287142  1
  Al  Al132  1  0.182956  0.859899  0.314069  1
  Al  Al133  1  0.431768  0.361066  0.287085  1
  Al  Al134  1  0.685975  0.860115  0.314073  1
  Al  Al135  1  0.159326  0.319076  0.312575  1
  Al  Al136  1  0.921387  0.819312  0.283734  1
  Al  Al137  1  0.196109  0.400664  0.317232  1
  Al  Al138  1  0.950047  0.904018  0.288648  1
  Al  Al139  1  0.117770  0.235543  0.306809  1
  Al  Al140  1  0.866092  0.736739  0.279813  1
  Al  Al141  1  0.620238  0.235305  0.306794  1
  Al  Al142  1  0.373311  0.737527  0.279859  1
  Al  Al143  1  0.460624  0.444074  0.290482  1
  Al  Al144  1  0.728736  0.943742  0.319593  1
  Al  Al145  1  0.283769  0.031022  0.266971  1
  Al  Al146  1  0.508291  0.527015  0.295041  1
  Al  Al147  1  0.307409  0.112887  0.272674  1
  Al  Al148  1  0.552137  0.610961  0.299731  1
  Al  Al149  1  0.814096  0.112062  0.272628  1
  Al  Al150  1  0.054608  0.611148  0.299735  1
  Al  Al151  1  0.541099  0.070229  0.298228  1
  Al  Al152  1  0.289413  0.570866  0.269383  1
  Al  Al153  1  0.578569  0.151630  0.302797  1
  Al  Al154  1  0.318111  0.655002  0.274209  1
  Al  Al155  1  0.740294  0.484165  0.322963  1
  Al  Al156  1  0.502982  0.986095  0.292122  1
  Al  Al157  1  0.006313  0.986190  0.292118  1
  Al  Al158  1  0.747495  0.487996  0.267095  1
  Al  Al159  1  0.841211  0.194684  0.276502  1
  Al  Al160  1  0.096803  0.694656  0.305230  1
  Al  Al161  1  0.388849  0.274785  0.339892  1
  Al  Al162  1  0.638928  0.773447  0.368802  1
  Al  Al163  1  0.428637  0.358220  0.344653  1
  Al  Al164  1  0.682610  0.856654  0.373462  1
  Al  Al165  1  0.926038  0.358007  0.344649  1
  Al  Al166  1  0.181115  0.856347  0.373445  1
  Al  Al167  1  0.657285  0.314857  0.371298  1
  Al  Al168  1  0.412751  0.816976  0.342293  1
  Al  Al169  1  0.696827  0.397811  0.376127  1
  Al  Al170  1  0.453524  0.899419  0.347067  1
  Al  Al171  1  0.617761  0.231705  0.366239  1
  Al  Al172  1  0.369089  0.733565  0.337346  1
  Al  Al173  1  0.116751  0.232002  0.366257  1
  Al  Al174  1  0.866937  0.733788  0.337359  1
  Al  Al175  1  0.965625  0.441161  0.349522  1
  Al  Al176  1  0.224363  0.939557  0.378437  1
  Al  Al177  1  0.771526  0.025457  0.325458  1
  Al  Al178  1  0.008563  0.524080  0.354115  1
  Al  Al179  1  0.810243  0.109179  0.330235  1
  Al  Al180  1  0.052901  0.607462  0.358929  1
  Al  Al181  1  0.307648  0.108975  0.330232  1
  Al  Al182  1  0.551450  0.607189  0.358926  1
  Al  Al183  1  0.039084  0.065511  0.356646  1
  Al  Al184  1  0.782006  0.567748  0.327772  1
  Al  Al185  1  0.077368  0.148845  0.361577  1
  Al  Al186  1  0.823116  0.650391  0.332604  1
  Al  Al187  1  0.236689  0.480648  0.380770  1
  Al  Al188  1  0.998300  0.982641  0.351562  1
  Al  Al189  1  0.497344  0.982920  0.351571  1
  Al  Al190  1  0.238911  0.484250  0.321328  1
  Al  Al191  1  0.347257  0.192371  0.335066  1
  Al  Al192  1  0.595467  0.690430  0.363965  1
  Al  Al193  1  0.885931  0.271337  0.398197  1
  Al  Al194  1  0.136692  0.769719  0.427681  1
  Al  Al195  1  0.926521  0.354745  0.403261  1
  Al  Al196  1  0.179081  0.853116  0.432657  1
  Al  Al197  1  0.426396  0.354417  0.403235  1
  Al  Al198  1  0.679925  0.852779  0.432637  1
  Al  Al199  1  0.155760  0.311528  0.430227  1
  Al  Al200  1  0.909093  0.813457  0.400593  1
  Al  Al201  1  0.196097  0.394152  0.435100  1
  Al  Al202  1  0.951879  0.895996  0.405382  1
  Al  Al203  1  0.114892  0.228127  0.425435  1
  Al  Al204  1  0.866249  0.729994  0.395870  1
  Al  Al205  1  0.616068  0.228468  0.425455  1
  Al  Al206  1  0.366326  0.730317  0.395888  1
  Al  Al207  1  0.466922  0.437827  0.407964  1
  Al  Al208  1  0.721725  0.936109  0.437460  1
  Al  Al209  1  0.265503  0.022194  0.383391  1
  Al  Al210  1  0.507822  0.520404  0.412856  1
  Al  Al211  1  0.306763  0.105623  0.388591  1
  Al  Al212  1  0.550688  0.603870  0.418012  1
  Al  Al213  1  0.806568  0.105308  0.388563  1
  Al  Al214  1  0.051474  0.603529  0.417982  1
  Al  Al215  1  0.535088  0.062405  0.415563  1
  Al  Al216  1  0.280131  0.564124  0.385910  1
  Al  Al217  1  0.575356  0.145037  0.420442  1
  Al  Al218  1  0.323307  0.646838  0.390860  1
  Al  Al219  1  0.736719  0.477228  0.440039  1
  Al  Al220  1  0.493230  0.978861  0.410530  1
  Al  Al221  1  0.994183  0.979197  0.410563  1
  Al  Al222  1  0.735965  0.480946  0.381081  1
  Al  Al223  1  0.846960  0.188840  0.393367  1
  Al  Al224  1  0.094092  0.687018  0.422840  1
  Al  Al225  1  0.384621  0.267823  0.457379  1
  Al  Al226  1  0.634887  0.766147  0.486662  1
  Al  Al227  1  0.425332  0.351242  0.462176  1
  Al  Al228  1  0.677922  0.849531  0.491626  1
  Al  Al229  1  0.924883  0.350934  0.462157  1
  Al  Al230  1  0.177362  0.849219  0.491602  1
  Al  Al231  1  0.654090  0.307987  0.489229  1
  Al  Al232  1  0.407451  0.809859  0.459757  1
  Al  Al233  1  0.694558  0.390673  0.494099  1
  Al  Al234  1  0.449543  0.892403  0.464623  1
  Al  Al235  1  0.613729  0.224572  0.484341  1
  Al  Al236  1  0.364559  0.726430  0.454733  1
  Al  Al237  1  0.113497  0.224882  0.484361  1
  Al  Al238  1  0.864463  0.726740  0.454751  1
  Al  Al239  1  0.965674  0.434317  0.467155  1
  Al  Al240  1  0.219563  0.932567  0.496568  1
  Al  Al241  1  0.763124  0.018650  0.442663  1
  Al  Al242  1  0.007061  0.516929  0.471970  1
  Al  Al243  1  0.804398  0.102086  0.447486  1
  Al  Al244  1  0.049939  0.600315  0.476908  1
  Al  Al245  1  0.303910  0.101781  0.447471  1
  Al  Al246  1  0.549389  0.600003  0.476889  1
  Al  Al247  1  0.032904  0.058786  0.474521  1
  Al  Al248  1  0.779553  0.560587  0.445041  1
  Al  Al249  1  0.073266  0.141485  0.479416  1
  Al  Al250  1  0.821512  0.643270  0.449969  1
  Al  Al251  1  0.235361  0.473714  0.498990  1
  Al  Al252  1  0.991469  0.975472  0.469500  1
  Al  Al253  1  0.491204  0.975786  0.469519  1
  Al  Al254  1  0.237317  0.477556  0.440006  1
  Al  Al255  1  0.344399  0.185191  0.452516  1
  Al  Al256  1  0.592347  0.683431  0.481796  1
  Al  Al257  1  0.882775  0.264309  0.516223  1
  Al  Al258  1  0.133060  0.762549  0.545503  1
  Al  Al259  1  0.923252  0.347736  0.521142  1
  Al  Al260  1  0.175989  0.845959  0.550561  1
  Al  Al261  1  0.423484  0.347424  0.521123  1
  Al  Al262  1  0.676164  0.845653  0.550546  1
  Al  Al263  1  0.152108  0.304468  0.548064  1
  Al  Al264  1  0.905654  0.806254  0.518617  1
  Al  Al265  1  0.192812  0.387152  0.552992  1
  Al  Al266  1  0.947973  0.888953  0.523512  1
  Al  Al267  1  0.111582  0.221001  0.543269  1
  Al  Al268  1  0.862479  0.722858  0.513659  1
  Al  Al269  1  0.611995  0.221310  0.543287  1
  Al  Al270  1  0.363028  0.723168  0.513679  1
  Al  Al271  1  0.464002  0.430811  0.526049  1
  Al  Al272  1  0.718337  0.929091  0.555356  1
  Al  Al273  1  0.260858  0.015174  0.501451  1
  Al  Al274  1  0.505212  0.513423  0.530864  1
  Al  Al275  1  0.302016  0.098521  0.506430  1
  Al  Al276  1  0.547816  0.596805  0.535875  1
  Al  Al277  1  0.802258  0.098208  0.506406  1
  Al  Al278  1  0.047947  0.596496  0.535856  1
  Al  Al279  1  0.531012  0.055336  0.533410  1
  Al  Al280  1  0.277762  0.557065  0.503933  1
  Al  Al281  1  0.571446  0.137880  0.538276  1
  Al  Al282  1  0.319963  0.639752  0.508803  1
  Al  Al283  1  0.733611  0.470184  0.558013  1
  Al  Al284  1  0.489275  0.971955  0.528501  1
  Al  Al285  1  0.989862  0.972268  0.528520  1
  Al  Al286  1  0.735520  0.474026  0.499029  1
  Al  Al287  1  0.842617  0.181593  0.511358  1
  Al  Al288  1  0.090669  0.679918  0.540640  1
  Al  Al289  1  0.380920  0.260722  0.575179  1
  Al  Al290  1  0.631962  0.758900  0.604652  1
  Al  Al291  1  0.421798  0.344210  0.580050  1
  Al  Al292  1  0.675103  0.842431  0.609469  1
  Al  Al293  1  0.920664  0.343869  0.580019  1
  Al  Al294  1  0.174981  0.842116  0.609441  1
  Al  Al295  1  0.650324  0.300901  0.607172  1
  Al  Al296  1  0.404180  0.802701  0.577591  1
  Al  Al297  1  0.689837  0.383615  0.612122  1
  Al  Al298  1  0.446519  0.885334  0.582471  1
  Al  Al299  1  0.609860  0.217423  0.602132  1
  Al  Al300  1  0.361453  0.719272  0.572565  1
  Al  Al301  1  0.110111  0.217747  0.602150  1
  Al  Al302  1  0.860625  0.719613  0.572585  1
  Al  Al303  1  0.961273  0.427336  0.585163  1
  Al  Al304  1  0.217147  0.925546  0.614629  1
  Al  Al305  1  0.759460  0.011631  0.560559  1
  Al  Al306  1  1.002933  0.509913  0.590054  1
  Al  Al307  1  0.801008  0.094960  0.565395  1
  Al  Al308  1  0.045831  0.593321  0.594797  1
  Al  Al309  1  0.299819  0.094623  0.565376  1
  Al  Al310  1  0.545625  0.592994  0.594771  1
  Al  Al311  1  0.029742  0.051743  0.592651  1
  Al  Al312  1  0.775808  0.553586  0.562932  1
  Al  Al313  1  0.069481  0.134282  0.597440  1
  Al  Al314  1  0.818078  0.636211  0.567806  1
  Al  Al315  1  0.228851  0.466794  0.616939  1
  Al  Al316  1  0.988830  0.968543  0.587458  1
  Al  Al317  1  0.488218  0.968880  0.587490  1
  Al  Al318  1  0.233349  0.470512  0.557981  1
  Al  Al319  1  0.340842  0.178022  0.570338  1
  Al  Al320  1  0.588456  0.676403  0.599822  1
  Al  Al321  1  0.878879  0.257310  0.634055  1
  Al  Al322  1  0.128724  0.755369  0.662953  1
  Al  Al323  1  0.918098  0.340551  0.639105  1
  Al  Al324  1  0.172508  0.838764  0.667801  1
  Al  Al325  1  0.419271  0.340277  0.639103  1
  Al  Al326  1  0.674890  0.838560  0.667797  1
  Al  Al327  1  0.146572  0.297348  0.665429  1
  Al  Al328  1  0.902368  0.798894  0.636456  1
  Al  Al329  1  0.188064  0.379990  0.670260  1
  Al  Al330  1  0.947398  0.882228  0.641385  1
  Al  Al331  1  0.106996  0.213952  0.660661  1
  Al  Al332  1  0.858595  0.715738  0.631763  1
  Al  Al333  1  0.609379  0.214175  0.660673  1
  Al  Al334  1  0.359910  0.716035  0.631781  1
  Al  Al335  1  0.458310  0.423660  0.643903  1
  Al  Al336  1  0.719877  0.922284  0.672562  1
  Al  Al337  1  0.258638  0.008184  0.619583  1
  Al  Al338  1  0.498282  0.506577  0.648498  1
  Al  Al339  1  0.298621  0.091392  0.624587  1
  Al  Al340  1  0.541881  0.589731  0.653383  1
  Al  Al341  1  0.799798  0.091085  0.624570  1
  Al  Al342  1  0.044252  0.589519  0.653379  1
  Al  Al343  1  0.527951  0.048319  0.650966  1
  Al  Al344  1  0.272862  0.549928  0.621905  1
  Al  Al345  1  0.569614  0.130764  0.655740  1
  Al  Al346  1  0.316271  0.632881  0.626734  1
  Al  Al347  1  0.728462  0.463490  0.676691  1
  Al  Al348  1  0.488230  0.964821  0.646448  1
  Al  Al349  1  0.989474  0.965100  0.646458  1
  Al  Al350  1  0.729881  0.467092  0.617249  1
  Al  Al351  1  0.839338  0.174293  0.629218  1
  Al  Al352  1  0.087924  0.672955  0.658127  1
  Al  Al353  1  0.375988  0.253085  0.692789  1
  Al  Al354  1  0.620380  0.753055  0.721518  1
  Al  Al355  1  0.417283  0.336591  0.698297  1
  Al  Al356  1  0.675881  0.835682  0.725404  1
  Al  Al357  1  0.915006  0.336778  0.698301  1
  Al  Al358  1  0.168342  0.834847  0.725357  1
  Al  Al359  1  0.636957  0.292737  0.723823  1
  Al  Al360  1  0.400788  0.796109  0.695236  1
  Al  Al361  1  0.692345  0.376875  0.728648  1
  Al  Al362  1  0.444669  0.877509  0.699805  1
  Al  Al363  1  0.609634  0.210219  0.718162  1
  Al  Al364  1  0.358792  0.712434  0.691226  1
  Al  Al365  1  0.103221  0.210996  0.718207  1
  Al  Al366  1  0.856074  0.712197  0.691212  1
  Al  Al367  1  0.955048  0.420727  0.702980  1
  Al  Al368  1  0.226519  0.916719  0.731051  1
  Al  Al369  1  0.758797  0.004000  0.678424  1
  Al  Al370  1  0.990319  0.503670  0.707536  1
  Al  Al371  1  0.799695  0.087624  0.683958  1
  Al  Al372  1  0.044562  0.586678  0.710947  1
  Al  Al373  1  0.296909  0.087841  0.683963  1
  Al  Al374  1  0.537297  0.585862  0.710889  1
  Al  Al375  1  0.019861  0.043722  0.709385  1
  Al  Al376  1  0.769272  0.547073  0.680802  1
  Al  Al377  1  0.075929  0.128428  0.714298  1
  Al  Al378  1  0.814090  0.628662  0.685458  1
  Al  Al379  1  0.233215  0.459748  0.730924  1
  Al  Al380  1  0.993864  0.961553  0.705904  1
  Al  Al381  1  0.490632  0.961645  0.705898  1
  Al  Al382  1  0.229926  0.463575  0.675057  1
  Al  Al383  1  0.338529  0.171471  0.688026  1
  Al  Al384  1  0.592842  0.668250  0.716567  1
