# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.29104789
_cell_length_b   39.37873086
_cell_length_c   60.57981703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg41Al67
_chemical_formula_sum   'Mg246 Al402'
_cell_volume   29320.9868472
_cell_formula_units_Z   6
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
  Mg  Mg1  1  0.221002  0.205820  0.313767  1
  Mg  Mg2  1  0.213367  0.802036  0.453573  1
  Mg  Mg3  1  0.205042  0.506719  0.387448  1
  Mg  Mg4  1  0.376972  0.156016  0.419062  1
  Mg  Mg5  1  0.377041  0.857653  0.356499  1
  Mg  Mg6  1  0.408838  0.553754  0.284012  1
  Mg  Mg7  1  0.710607  0.321217  0.413878  1
  Mg  Mg8  1  0.712942  0.026388  0.355449  1
  Mg  Mg9  1  0.679252  0.728948  0.282391  1
  Mg  Mg10  1  0.705460  0.354598  0.460969  1
  Mg  Mg11  1  0.712065  0.063556  0.400764  1
  Mg  Mg12  1  0.709656  0.762944  0.329853  1
  Mg  Mg13  1  0.043287  0.256141  0.439172  1
  Mg  Mg14  1  0.044958  0.962376  0.379375  1
  Mg  Mg15  1  0.055558  0.660447  0.303987  1
  Mg  Mg16  1  0.702967  0.223810  0.393764  1
  Mg  Mg17  1  0.701120  0.928984  0.336355  1
  Mg  Mg18  1  0.697981  0.518390  0.462993  1
  Mg  Mg19  1  0.373361  0.357694  0.350144  1
  Mg  Mg20  1  0.397415  0.060056  0.286906  1
  Mg  Mg21  1  0.384448  0.657018  0.422879  1
  Mg  Mg22  1  0.407434  0.221178  0.280912  1
  Mg  Mg23  1  0.373427  0.819268  0.419516  1
  Mg  Mg24  1  0.375932  0.524384  0.355281  1
  Mg  Mg25  1  0.234868  0.277407  0.290384  1
  Mg  Mg26  1  0.215506  0.873510  0.433348  1
  Mg  Mg27  1  0.211572  0.577422  0.366162  1
  Mg  Mg28  1  0.374513  0.225999  0.394072  1
  Mg  Mg29  1  0.377173  0.930685  0.336472  1
  Mg  Mg30  1  0.381414  0.520741  0.462501  1
  Mg  Mg31  1  0.221736  0.239669  0.475963  1
  Mg  Mg32  1  0.219070  0.945888  0.415202  1
  Mg  Mg33  1  0.218248  0.646748  0.341608  1
  Mg  Mg34  1  0.213183  0.173316  0.383159  1
  Mg  Mg35  1  0.209871  0.878537  0.325354  1
  Mg  Mg36  1  0.216719  0.467172  0.449468  1
  Mg  Mg37  1  0.871335  0.373635  0.426265  1
  Mg  Mg38  1  0.876621  0.080045  0.365319  1
  Mg  Mg39  1  0.860817  0.784591  0.293755  1
  Mg  Mg40  1  0.881692  0.375065  0.313894  1
  Mg  Mg41  1  0.871512  0.976629  0.459259  1
  Mg  Mg42  1  0.868139  0.673814  0.386231  1
  Mg  Mg43  1  0.872846  0.209978  0.314988  1
  Mg  Mg44  1  0.879703  0.803462  0.453814  1
  Mg  Mg45  1  0.886713  0.508937  0.387945  1
  Mg  Mg46  1  0.043832  0.288459  0.369808  1
  Mg  Mg47  1  0.043265  -0.009455  0.310519  1
  Mg  Mg48  1  1.040851  0.589097  0.446902  1
  Mg  Mg49  1  0.674902  0.221903  0.281144  1
  Mg  Mg50  1  0.707397  0.820641  0.419779  1
  Mg  Mg51  1  0.704495  0.527917  0.355577  1
  Mg  Mg52  1  0.384263  0.323651  0.414309  1
  Mg  Mg53  1  0.381022  0.029036  0.355797  1
  Mg  Mg54  1  0.410080  0.733140  0.283457  1
  Mg  Mg55  1  0.848722  0.276987  0.289006  1
  Mg  Mg56  1  0.877758  0.871373  0.432771  1
  Mg  Mg57  1  0.887048  0.575182  0.364870  1
  Mg  Mg58  1  0.721531  0.355825  0.349667  1
  Mg  Mg59  1  0.691438  0.056532  0.285996  1
  Mg  Mg60  1  0.713093  0.654161  0.422286  1
  Mg  Mg61  1  0.197963  0.376121  0.314423  1
  Mg  Mg62  1  0.207393  0.978577  0.459707  1
  Mg  Mg63  1  0.207103  0.677291  0.387539  1
  Mg  Mg64  1  0.882475  0.176183  0.383810  1
  Mg  Mg65  1  0.884087  0.882357  0.326153  1
  Mg  Mg66  1  0.877128  0.467913  0.450374  1
  Mg  Mg67  1  0.699784  0.158654  0.419580  1
  Mg  Mg68  1  0.703637  0.860823  0.357733  1
  Mg  Mg69  1  0.680529  0.561560  0.286190  1
  Mg  Mg70  1  0.218402  0.208097  0.430025  1
  Mg  Mg71  1  0.219530  0.912142  0.370483  1
  Mg  Mg72  1  0.233474  0.605501  0.293810  1
  Mg  Mg73  1  1.038433  0.409947  0.281121  1
  Mg  Mg74  1  1.037678  -0.002890  0.426106  1
  Mg  Mg75  1  1.034374  0.697469  0.350290  1
  Mg  Mg76  1  0.713827  0.427774  0.332331  1
  Mg  Mg77  1  0.709623  0.029514  0.470185  1
  Mg  Mg78  1  0.708803  0.725685  0.398974  1
  Mg  Mg79  1  0.696486  0.256176  0.326392  1
  Mg  Mg80  1  0.699990  0.854210  0.464624  1
  Mg  Mg81  1  0.710171  0.557813  0.400374  1
  Mg  Mg82  1  0.542837  0.237914  0.475537  1
  Mg  Mg83  1  0.542372  0.944680  0.414726  1
  Mg  Mg84  1  0.536413  0.642711  0.341643  1
  Mg  Mg85  1  0.210635  0.305662  0.450320  1
  Mg  Mg86  1  0.204624  0.013914  0.390850  1
  Mg  Mg87  1  0.213343  0.716650  0.318018  1
  Mg  Mg88  1  0.208167  0.370897  0.425676  1
  Mg  Mg89  1  0.202264  0.077948  0.364706  1
  Mg  Mg90  1  0.209940  0.783863  0.294048  1
  Mg  Mg91  1  1.041108  0.320021  0.301429  1
  Mg  Mg92  1  0.043209  0.924434  0.447818  1
  Mg  Mg93  1  0.043988  0.627329  0.377553  1
  Mg  Mg94  1  0.867476  0.303437  0.449702  1
  Mg  Mg95  1  0.873863  0.010947  0.390117  1
  Mg  Mg96  1  0.858907  0.709189  0.315520  1
  Mg  Mg97  1  0.049277  0.187095  0.465059  1
  Mg  Mg98  1  0.048642  0.890106  0.401184  1
  Mg  Mg99  1  0.057243  0.592673  0.329257  1
  Mg  Mg100  1  0.882307  0.408949  0.362360  1
  Mg  Mg101  1  0.866283  0.108515  0.295682  1
  Mg  Mg102  1  0.872370  0.706954  0.434156  1
  Mg  Mg103  1  0.196718  0.407174  0.360709  1
  Mg  Mg104  1  0.207379  0.107609  0.295141  1
  Mg  Mg105  1  0.205303  0.704241  0.433631  1
  Mg  Mg106  1  0.381499  0.426178  0.332490  1
  Mg  Mg107  1  0.384326  0.027602  0.469698  1
  Mg  Mg108  1  0.388563  0.723000  0.398643  1
  Mg  Mg109  1  1.039819  0.490018  0.306525  1
  Mg  Mg110  1  1.042114  0.095040  0.445935  1
  Mg  Mg111  1  0.044581  0.787541  0.373371  1
  Mg  Mg112  1  0.380340  0.258118  0.326948  1
  Mg  Mg113  1  0.381321  0.856007  0.465332  1
  Mg  Mg114  1  0.371434  0.559263  0.401001  1
  Mg  Mg115  1  0.389249  0.352115  0.460545  1
  Mg  Mg116  1  0.382838  0.061049  0.400526  1
  Mg  Mg117  1  0.391094  0.761516  0.329181  1
  Mg  Mg118  1  0.865141  0.236540  0.475161  1
  Mg  Mg119  1  0.867910  0.943009  0.414693  1
  Mg  Mg120  1  0.873953  0.640843  0.339278  1
  Mg  Mg121  1  0.878046  0.205268  0.429472  1
  Mg  Mg122  1  0.876237  0.910686  0.370239  1
  Mg  Mg123  1  0.877585  0.605309  0.293698  1
  Mg  Mg124  1  0.215826  0.103408  0.525986  1
  Mg  Mg125  1  0.231221  0.692100  0.658380  1
  Mg  Mg126  1  0.208337  0.396334  0.585860  1
  Mg  Mg127  1  0.374300  0.050263  0.621227  1
  Mg  Mg128  1  0.378655  0.752959  0.554805  1
  Mg  Mg129  1  0.378379  0.448037  0.483179  1
  Mg  Mg130  1  0.705614  0.217366  0.625465  1
  Mg  Mg131  1  0.716142  0.918959  0.552849  1
  Mg  Mg132  1  0.701731  0.621882  0.488713  1
  Mg  Mg133  1  0.678146  0.255680  0.670991  1
  Mg  Mg134  1  0.713176  0.954419  0.599140  1
  Mg  Mg135  1  0.707214  0.658344  0.533708  1
  Mg  Mg136  1  0.046550  0.155482  0.652962  1
  Mg  Mg137  1  1.042465  0.851467  0.576257  1
  Mg  Mg138  1  0.046530  0.553913  0.506208  1
  Mg  Mg139  1  0.709741  0.120000  0.603054  1
  Mg  Mg140  1  0.701817  0.821006  0.530880  1
  Mg  Mg141  1  0.686323  0.415298  0.664451  1
  Mg  Mg142  1  0.383331  0.252268  0.557534  1
  Mg  Mg143  1  0.386071  0.959348  0.491576  1
  Mg  Mg144  1  0.382191  0.549945  0.614996  1
  Mg  Mg145  1  0.379684  0.121571  0.490531  1
  Mg  Mg146  1  0.378818  0.715541  0.622966  1
  Mg  Mg147  1  0.373570  0.411803  0.550389  1
  Mg  Mg148  1  0.219096  0.172942  0.501617  1
  Mg  Mg149  1  0.229148  0.769044  0.638648  1
  Mg  Mg150  1  0.208845  0.464308  0.561460  1
  Mg  Mg151  1  0.368173  0.121701  0.602963  1
  Mg  Mg152  1  0.375588  0.823948  0.531579  1
  Mg  Mg153  1  0.384526  0.420142  0.664214  1
  Mg  Mg154  1  0.237272  0.128586  0.684937  1
  Mg  Mg155  1  0.212751  0.837933  0.614716  1
  Mg  Mg156  1  0.215846  0.535846  0.541592  1
  Mg  Mg157  1  0.205571  0.068510  0.590620  1
  Mg  Mg158  1  0.214651  0.771300  0.519846  1
  Mg  Mg159  1  0.219750  0.365307  0.654996  1
  Mg  Mg160  1  0.863887  0.269849  0.637811  1
  Mg  Mg161  1  0.880232  0.971984  0.566703  1
  Mg  Mg162  1  0.872712  0.675724  0.500744  1
  Mg  Mg163  1  0.868201  0.268068  0.521129  1
  Mg  Mg164  1  0.854024  0.872410  0.660361  1
  Mg  Mg165  1  0.876665  0.567703  0.584434  1
  Mg  Mg166  1  0.878533  0.106109  0.526526  1
  Mg  Mg167  1  0.856010  0.691886  0.659611  1
  Mg  Mg168  1  0.882674  0.397756  0.586410  1
  Mg  Mg169  1  1.041858  0.188263  0.581805  1
  Mg  Mg170  1  0.044117  0.888494  0.507287  1
  Mg  Mg171  1  1.037459  0.484366  0.639709  1
  Mg  Mg172  1  0.698324  0.124005  0.490986  1
  Mg  Mg173  1  0.692809  0.717512  0.623847  1
  Mg  Mg174  1  0.706751  0.414138  0.550351  1
  Mg  Mg175  1  0.389741  0.220268  0.625785  1
  Mg  Mg176  1  0.377644  0.920400  0.553741  1
  Mg  Mg177  1  0.388951  0.623971  0.488339  1
  Mg  Mg178  1  0.876093  0.170715  0.500943  1
  Mg  Mg179  1  0.871499  0.760899  0.635675  1
  Mg  Mg180  1  0.881786  0.462510  0.560517  1
  Mg  Mg181  1  0.711656  0.250251  0.557154  1
  Mg  Mg182  1  0.706881  0.957215  0.491705  1
  Mg  Mg183  1  0.718517  0.548405  0.616718  1
  Mg  Mg184  1  0.208896  0.270652  0.521722  1
  Mg  Mg185  1  0.206608  0.873247  0.660209  1
  Mg  Mg186  1  0.193957  0.569715  0.588622  1
  Mg  Mg187  1  0.887182  0.070911  0.591294  1
  Mg  Mg188  1  0.881334  0.773814  0.520268  1
  Mg  Mg189  1  0.881558  0.369278  0.656486  1
  Mg  Mg190  1  0.704624  0.052563  0.621784  1
  Mg  Mg191  1  0.698322  0.755263  0.555154  1
  Mg  Mg192  1  0.700233  0.449651  0.483497  1
  Mg  Mg193  1  0.204719  0.102696  0.637276  1
  Mg  Mg194  1  0.218762  0.804820  0.567484  1
  Mg  Mg195  1  0.219192  0.501852  0.495535  1
  Mg  Mg196  1  1.037772  0.289084  0.486118  1
  Mg  Mg197  1  1.028082  0.885453  0.624879  1
  Mg  Mg198  1  1.041429  0.589273  0.552411  1
  Mg  Mg199  1  0.709565  0.319915  0.532100  1
  Mg  Mg200  1  0.680064  0.924712  0.670000  1
  Mg  Mg201  1  0.724660  0.620709  0.598474  1
  Mg  Mg202  1  0.702192  0.153360  0.537257  1
  Mg  Mg203  1  0.675281  0.746718  0.670275  1
  Mg  Mg204  1  0.703692  0.446820  0.594734  1
  Mg  Mg205  1  0.535254  0.131735  0.682216  1
  Mg  Mg206  1  0.550826  0.836068  0.612298  1
  Mg  Mg207  1  0.543657  0.533425  0.541725  1
  Mg  Mg208  1  0.237270  0.200690  0.663786  1
  Mg  Mg209  1  0.199025  0.903439  0.589133  1
  Mg  Mg210  1  0.214520  0.606042  0.520566  1
  Mg  Mg211  1  0.212986  0.266861  0.636641  1
  Mg  Mg212  1  0.199998  0.969430  0.566219  1
  Mg  Mg213  1  0.210202  0.674306  0.500026  1
  Mg  Mg214  1  0.043339  0.220105  0.512009  1
  Mg  Mg215  1  1.030604  0.816163  0.649907  1
  Mg  Mg216  1  1.039979  0.514619  0.574251  1
  Mg  Mg217  1  0.850241  0.198336  0.662899  1
  Mg  Mg218  1  0.873960  0.900608  0.587852  1
  Mg  Mg219  1  0.871403  0.604671  0.520078  1
  Mg  Mg220  1  0.056543  0.074835  0.672200  1
  Mg  Mg221  1  0.053349  0.782394  0.603153  1
  Mg  Mg222  1  0.048516  0.480823  0.526583  1
  Mg  Mg223  1  0.873243  0.302596  0.568135  1
  Mg  Mg224  1  0.870687  0.010783  0.504513  1
  Mg  Mg225  1  0.886055  0.601467  0.637231  1
  Mg  Mg226  1  0.203394  0.299718  0.567404  1
  Mg  Mg227  1  0.209820  0.009479  0.503863  1
  Mg  Mg228  1  0.189023  0.600419  0.635816  1
  Mg  Mg229  1  0.386098  0.317453  0.531745  1
  Mg  Mg230  1  0.404369  0.916858  0.667565  1
  Mg  Mg231  1  0.373979  0.618139  0.597458  1
  Mg  Mg232  1  0.045274  0.380142  0.505053  1
  Mg  Mg233  1  1.042690  0.988221  0.647207  1
  Mg  Mg234  1  1.042024  0.689322  0.579883  1
  Mg  Mg235  1  0.376015  0.155584  0.537826  1
  Mg  Mg236  1  0.409858  0.748212  0.671260  1
  Mg  Mg237  1  0.378981  0.449092  0.594537  1
  Mg  Mg238  1  0.412869  0.255255  0.670724  1
  Mg  Mg239  1  0.383128  0.950538  0.598402  1
  Mg  Mg240  1  0.383607  0.656263  0.533790  1
  Mg  Mg241  1  0.858080  0.123535  0.683073  1
  Mg  Mg242  1  0.868023  0.831349  0.612344  1
  Mg  Mg243  1  0.870318  0.533363  0.539048  1
  Mg  Mg244  1  0.891386  0.100514  0.636707  1
  Mg  Mg245  1  0.880107  0.801010  0.566256  1
  Mg  Mg246  1  0.877562  0.499778  0.494296  1
  Al  Al247  1  0.378651  0.456082  0.375605  1
  Al  Al248  1  0.385490  0.153282  0.309201  1
  Al  Al249  1  0.384495  0.751687  0.443982  1
  Al  Al250  1  0.538961  0.280555  0.295549  1
  Al  Al251  1  0.537146  0.873609  0.432196  1
  Al  Al252  1  0.532618  0.577599  0.366293  1
  Al  Al253  1  0.707678  0.392306  0.393374  1
  Al  Al254  1  0.711608  0.093437  0.331680  1
  Al  Al255  1  0.705279  0.691032  0.467391  1
  Al  Al256  1  0.539966  0.141790  0.455188  1
  Al  Al257  1  0.540244  0.839205  0.388442  1
  Al  Al258  1  0.539989  0.544915  0.323498  1
  Al  Al259  1  0.865518  0.141880  0.455619  1
  Al  Al260  1  0.880892  0.838682  0.387070  1
  Al  Al261  1  0.873380  0.544809  0.320734  1
  Al  Al262  1  0.700653  0.188033  0.464968  1
  Al  Al263  1  0.699751  0.890905  0.402282  1
  Al  Al264  1  0.703537  0.591836  0.330556  1
  Al  Al265  1  0.383144  0.493450  0.311552  1
  Al  Al266  1  0.378402  0.092432  0.445135  1
  Al  Al267  1  0.376103  0.789137  0.375039  1
  Al  Al268  1  1.034139  0.353683  0.459464  1
  Al  Al269  1  1.033348  0.063703  0.400707  1
  Al  Al270  1  1.023496  0.764892  0.328205  1
  Al  Al271  1  0.542897  0.273863  0.403488  1
  Al  Al272  1  0.542523  0.978808  0.346484  1
  Al  Al273  1  0.537358  0.670733  0.282063  1
  Al  Al274  1  0.547639  0.446963  0.301037  1
  Al  Al275  1  0.546581  0.044336  0.434923  1
  Al  Al276  1  0.548232  0.742411  0.364122  1
  Al  Al277  1  0.219747  0.140292  0.455288  1
  Al  Al278  1  0.209681  0.837716  0.386792  1
  Al  Al279  1  0.219498  0.540674  0.319985  1
  Al  Al280  1  0.222669  0.511459  0.280637  1
  Al  Al281  1  0.204495  0.107455  0.410196  1
  Al  Al282  1  0.209700  0.806095  0.340725  1
  Al  Al283  1  0.046600  0.194120  0.349062  1
  Al  Al284  1  0.046148  0.902366  0.293514  1
  Al  Al285  1  0.045831  0.487820  0.419702  1
  Al  Al286  1  1.034021  0.321880  0.414374  1
  Al  Al287  1  1.034591  0.027923  0.352968  1
  Al  Al288  1  1.035473  0.733525  0.290619  1
  Al  Al289  1  0.212052  0.240306  0.359056  1
  Al  Al290  1  0.221901  0.946115  0.301429  1
  Al  Al291  1  0.207473  0.539470  0.432957  1
  Al  Al292  1  0.547026  0.340288  0.381443  1
  Al  Al293  1  0.546144  0.043211  0.323047  1
  Al  Al294  1  0.547708  0.639504  0.455127  1
  Al  Al295  1  1.034384  0.354579  0.348614  1
  Al  Al296  1  1.036878  0.057199  0.291442  1
  Al  Al297  1  1.031306  0.655495  0.423461  1
  Al  Al298  1  0.209082  0.437795  0.405321  1
  Al  Al299  1  0.209422  0.141658  0.339294  1
  Al  Al300  1  0.205926  0.855188  0.282020  1
  Al  Al301  1  0.864159  0.516219  0.281097  1
  Al  Al302  1  0.881686  0.113187  0.411093  1
  Al  Al303  1  0.875127  0.812439  0.342383  1
  Al  Al304  1  0.707051  0.496719  0.311725  1
  Al  Al305  1  0.707764  0.094062  0.445413  1
  Al  Al306  1  0.712479  0.791303  0.375274  1
  Al  Al307  1  0.551273  0.408250  0.364041  1
  Al  Al308  1  0.554494  0.107776  0.303296  1
  Al  Al309  1  0.553737  0.706945  0.434728  1
  Al  Al310  1  0.206557  0.475758  0.341242  1
  Al  Al311  1  0.206073  0.074553  0.479482  1
  Al  Al312  1  0.204902  0.768199  0.407849  1
  Al  Al313  1  0.384600  0.418077  0.436155  1
  Al  Al314  1  0.383614  0.124045  0.372885  1
  Al  Al315  1  0.381662  0.830958  0.310276  1
  Al  Al316  1  0.228494  0.446037  0.299791  1
  Al  Al317  1  0.213082  0.045116  0.435827  1
  Al  Al318  1  0.220161  0.741391  0.363264  1
  Al  Al319  1  0.686239  0.395039  0.289679  1
  Al  Al320  1  0.709085  -0.003666  0.425153  1
  Al  Al321  1  0.708208  0.692682  0.352453  1
  Al  Al322  1  0.379496  0.188067  0.465068  1
  Al  Al323  1  0.381709  0.890808  0.402087  1
  Al  Al324  1  0.371008  0.590736  0.330928  1
  Al  Al325  1  0.203713  0.339378  0.381702  1
  Al  Al326  1  0.209711  0.044943  0.321462  1
  Al  Al327  1  0.209604  0.639054  0.457072  1
  Al  Al328  1  0.693973  0.327444  0.306555  1
  Al  Al329  1  0.704968  0.923868  0.446731  1
  Al  Al330  1  0.705508  0.621966  0.375133  1
  Al  Al331  1  0.851282  0.447980  0.298207  1
  Al  Al332  1  0.871256  0.046680  0.435832  1
  Al  Al333  1  0.866486  0.743133  0.363260  1
  Al  Al334  1  0.385406  0.258951  0.439827  1
  Al  Al335  1  0.381890  0.965604  0.380929  1
  Al  Al336  1  0.373008  0.665976  0.309309  1
  Al  Al337  1  0.549428  0.375986  0.320687  1
  Al  Al338  1  0.551491  0.977090  0.457732  1
  Al  Al339  1  0.554799  0.672663  0.386698  1
  Al  Al340  1  0.543807  0.439568  0.405723  1
  Al  Al341  1  0.543688  0.141710  0.341914  1
  Al  Al342  1  0.544714  0.852506  0.282500  1
  Al  Al343  1  1.042883  0.458354  0.374358  1
  Al  Al344  1  1.040474  0.157920  0.309882  1
  Al  Al345  1  0.043481  0.754177  0.443890  1
  Al  Al346  1  0.700970  0.422759  0.437373  1
  Al  Al347  1  0.703435  0.129365  0.374032  1
  Al  Al348  1  0.707654  0.835931  0.312531  1
  Al  Al349  1  0.535566  0.203545  0.318998  1
  Al  Al350  1  0.536275  0.802047  0.454220  1
  Al  Al351  1  0.538694  0.506400  0.388221  1
  Al  Al352  1  0.403243  0.395172  0.290515  1
  Al  Al353  1  0.382558  -0.003470  0.425582  1
  Al  Al354  1  0.385960  0.695307  0.353489  1
  Al  Al355  1  0.704444  0.190729  0.350541  1
  Al  Al356  1  0.702748  0.898513  0.292865  1
  Al  Al357  1  0.703964  0.488015  0.418172  1
  Al  Al358  1  0.044330  0.419860  0.438072  1
  Al  Al359  1  1.043186  0.127669  0.373567  1
  Al  Al360  1  1.040280  0.830330  0.311682  1
  Al  Al361  1  0.876318  0.302553  0.335410  1
  Al  Al362  1  0.872901  0.012044  0.282176  1
  Al  Al363  1  0.880578  0.604696  0.411969  1
  Al  Al364  1  0.879049  0.270250  0.403116  1
  Al  Al365  1  0.878331  0.975912  0.343666  1
  Al  Al366  1  0.867475  0.569441  0.476360  1
  Al  Al367  1  0.545449  0.476174  0.344365  1
  Al  Al368  1  0.544857  0.162713  0.279447  1
  Al  Al369  1  0.543625  0.772743  0.409506  1
  Al  Al370  1  0.542586  0.401479  0.471734  1
  Al  Al371  1  0.543178  0.109700  0.409461  1
  Al  Al372  1  0.545590  0.811098  0.343577  1
  Al  Al373  1  0.533084  0.208609  0.429858  1
  Al  Al374  1  0.534020  0.911340  0.370574  1
  Al  Al375  1  0.522111  0.610283  0.300896  1
  Al  Al376  1  0.391243  0.329718  0.307372  1
  Al  Al377  1  0.381783  0.927183  0.447508  1
  Al  Al378  1  0.379997  0.628140  0.377965  1
  Al  Al379  1  0.552478  0.302431  0.449604  1
  Al  Al380  1  0.551852  0.010791  0.390795  1
  Al  Al381  1  0.553102  0.709083  0.320486  1
  Al  Al382  1  0.210154  0.308134  0.336906  1
  Al  Al383  1  0.212570  0.014402  0.282456  1
  Al  Al384  1  0.206351  0.610504  0.413536  1
  Al  Al385  1  0.208134  0.276097  0.404294  1
  Al  Al386  1  0.209536  0.981587  0.344751  1
  Al  Al387  1  0.219387  0.573106  0.476087  1
  Al  Al388  1  0.701278  0.253130  0.438677  1
  Al  Al389  1  0.702709  0.960070  0.380251  1
  Al  Al390  1  0.700411  0.654582  0.307678  1
  Al  Al391  1  0.551392  0.374291  0.425082  1
  Al  Al392  1  0.552069  0.079321  0.364518  1
  Al  Al393  1  0.556947  0.788447  0.298732  1
  Al  Al394  1  0.044707  0.231087  0.287225  1
  Al  Al395  1  0.051673  0.818998  0.419397  1
  Al  Al396  1  0.051836  0.524031  0.350999  1
  Al  Al397  1  0.054405  0.224688  0.393841  1
  Al  Al398  1  0.055649  0.929790  0.336094  1
  Al  Al399  1  0.051816  0.518198  0.462888  1
  Al  Al400  1  1.041074  0.388751  0.394134  1
  Al  Al401  1  1.039131  0.093960  0.330088  1
  Al  Al402  1  1.040205  0.688542  0.467009  1
  Al  Al403  1  1.032686  0.428583  0.328976  1
  Al  Al404  1  1.034611  0.029458  0.470868  1
  Al  Al405  1  1.031618  0.722795  0.398831  1
  Al  Al406  1  0.054799  0.158113  0.418692  1
  Al  Al407  1  0.050890  0.857885  0.356508  1
  Al  Al408  1  0.052222  0.555755  0.288801  1
  Al  Al409  1  0.877123  0.240225  0.359195  1
  Al  Al410  1  0.865360  0.945424  0.300734  1
  Al  Al411  1  0.879883  0.537810  0.433638  1
  Al  Al412  1  0.539488  0.240982  0.360675  1
  Al  Al413  1  0.539938  0.946783  0.302953  1
  Al  Al414  1  0.541736  0.539492  0.431009  1
  Al  Al415  1  0.369971  0.290849  0.370534  1
  Al  Al416  1  0.374295  -0.004045  0.312377  1
  Al  Al417  1  0.377219  0.590458  0.444679  1
  Al  Al418  1  0.878362  0.480352  0.342141  1
  Al  Al419  1  0.879844  0.079081  0.480779  1
  Al  Al420  1  0.883155  0.773194  0.408569  1
  Al  Al421  1  0.708617  0.460120  0.376421  1
  Al  Al422  1  0.703381  0.159201  0.310810  1
  Al  Al423  1  0.702075  0.756354  0.445272  1
  Al  Al424  1  0.381463  0.391723  0.392757  1
  Al  Al425  1  0.378892  0.092889  0.331037  1
  Al  Al426  1  0.384794  0.690666  0.466718  1
  Al  Al427  1  0.543439  0.308156  0.339800  1
  Al  Al428  1  0.543509  0.907322  0.477615  1
  Al  Al429  1  0.544361  0.606723  0.411340  1
  Al  Al430  1  0.057350  0.257557  0.326439  1
  Al  Al431  1  0.049759  0.853677  0.465002  1
  Al  Al432  1  0.050728  0.558930  0.401831  1
  Al  Al433  1  0.880929  0.338375  0.382004  1
  Al  Al434  1  0.872951  0.044079  0.321358  1
  Al  Al435  1  0.874445  0.638622  0.457578  1
  Al  Al436  1  0.378739  0.189401  0.349806  1
  Al  Al437  1  0.380762  0.897179  0.292839  1
  Al  Al438  1  0.380894  0.487174  0.417311  1
  Al  Al439  1  0.533703  0.173905  0.382977  1
  Al  Al440  1  0.536657  0.879033  0.323759  1
  Al  Al441  1  0.535152  0.467783  0.448284  1
  Al  Al442  1  0.877241  0.440221  0.406079  1
  Al  Al443  1  0.876445  0.143722  0.339899  1
  Al  Al444  1  0.878730  0.856584  0.283054  1
  Al  Al445  1  0.715869  0.289003  0.370093  1
  Al  Al446  1  0.711202  -0.005804  0.312252  1
  Al  Al447  1  0.712774  0.588127  0.444761  1
  Al  Al448  1  0.382437  0.346624  0.577250  1
  Al  Al449  1  0.386659  0.054406  0.515832  1
  Al  Al450  1  0.390798  0.642817  0.640665  1
  Al  Al451  1  0.533945  0.173605  0.501749  1
  Al  Al452  1  0.532721  0.769661  0.633225  1
  Al  Al453  1  0.538364  0.465277  0.560516  1
  Al  Al454  1  0.707855  0.286290  0.601686  1
  Al  Al455  1  0.705528  -0.008979  0.536529  1
  Al  Al456  1  0.682259  0.579030  0.659722  1
  Al  Al457  1  0.538295  0.031499  0.653247  1
  Al  Al458  1  0.538475  0.736149  0.589208  1
  Al  Al459  1  0.539902  0.431247  0.517295  1
  Al  Al460  1  0.861385  0.034576  0.656473  1
  Al  Al461  1  0.869160  0.737123  0.590151  1
  Al  Al462  1  0.876270  0.430885  0.515418  1
  Al  Al463  1  0.690238  0.081407  0.663962  1
  Al  Al464  1  0.700708  0.783264  0.600168  1
  Al  Al465  1  0.703983  0.481305  0.527676  1
  Al  Al466  1  0.377811  0.381927  0.505938  1
  Al  Al467  1  0.379598  0.981790  0.642244  1
  Al  Al468  1  0.375159  0.686647  0.577847  1
  Al  Al469  1  1.040335  0.246338  0.664666  1
  Al  Al470  1  1.031701  0.954442  0.602965  1
  Al  Al471  1  1.039119  0.659121  0.533627  1
  Al  Al472  1  0.542140  0.168684  0.612957  1
  Al  Al473  1  0.543333  0.871506  0.542531  1
  Al  Al474  1  0.542804  0.570809  0.475996  1
  Al  Al475  1  0.546400  0.334301  0.496249  1
  Al  Al476  1  0.547753  0.933813  0.630653  1
  Al  Al477  1  0.547568  0.637566  0.566518  1
  Al  Al478  1  0.229195  0.030149  0.654760  1
  Al  Al479  1  0.220153  0.735290  0.589847  1
  Al  Al480  1  0.213466  0.429457  0.515843  1
  Al  Al481  1  0.209182  0.397505  0.471098  1
  Al  Al482  1  0.207595  -0.002249  0.611724  1
  Al  Al483  1  0.206405  0.704880  0.544957  1
  Al  Al484  1  0.046213  0.089391  0.558688  1
  Al  Al485  1  0.046742  0.789399  0.487179  1
  Al  Al486  1  0.046950  0.382580  0.621330  1
  Al  Al487  1  1.028696  0.218337  0.625918  1
  Al  Al488  1  1.034336  0.919505  0.552269  1
  Al  Al489  1  1.039780  0.624433  0.489078  1
  Al  Al490  1  0.207208  0.138578  0.570413  1
  Al  Al491  1  0.212121  0.839369  0.496878  1
  Al  Al492  1  0.214057  0.432432  0.629256  1
  Al  Al493  1  0.547167  0.235189  0.591024  1
  Al  Al494  1  0.545617  0.938458  0.522864  1
  Al  Al495  1  0.546464  0.527798  0.646781  1
  Al  Al496  1  1.031866  0.251446  0.557376  1
  Al  Al497  1  1.036836  0.959220  0.491704  1
  Al  Al498  1  1.024274  0.547875  0.619253  1
  Al  Al499  1  0.208875  0.332262  0.611046  1
  Al  Al500  1  0.210071  0.037675  0.547465  1
  Al  Al501  1  0.211159  0.738124  0.476704  1
  Al  Al502  1  0.878957  0.401689  0.472494  1
  Al  Al503  1  0.879471  0.004433  0.613331  1
  Al  Al504  1  0.880868  0.709746  0.545629  1
  Al  Al505  1  0.708655  0.383552  0.506116  1
  Al  Al506  1  0.707101  0.985685  0.642924  1
  Al  Al507  1  0.711440  0.688807  0.578216  1
  Al  Al508  1  0.552555  0.302022  0.568314  1
  Al  Al509  1  0.550950  0.009632  0.505105  1
  Al  Al510  1  0.549796  0.598462  0.627480  1
  Al  Al511  1  0.203764  0.362754  0.540241  1
  Al  Al512  1  0.220298  0.962637  0.672604  1
  Al  Al513  1  0.212478  0.665507  0.610190  1
  Al  Al514  1  0.384308  0.316644  0.640238  1
  Al  Al515  1  0.379580  0.017937  0.577392  1
  Al  Al516  1  0.384648  0.721838  0.508795  1
  Al  Al517  1  0.221846  0.333999  0.495614  1
  Al  Al518  1  0.211709  0.933817  0.633114  1
  Al  Al519  1  0.206607  0.639419  0.565541  1
  Al  Al520  1  0.706316  0.287789  0.486112  1
  Al  Al521  1  0.716586  0.887806  0.623303  1
  Al  Al522  1  0.708426  0.587507  0.552663  1
  Al  Al523  1  0.383314  0.080259  0.664616  1
  Al  Al524  1  0.377786  0.786171  0.601335  1
  Al  Al525  1  0.377834  0.480985  0.529015  1
  Al  Al526  1  0.209404  0.236125  0.592431  1
  Al  Al527  1  0.205967  0.939626  0.520957  1
  Al  Al528  1  0.225756  0.530371  0.646354  1
  Al  Al529  1  0.700688  0.217550  0.511252  1
  Al  Al530  1  0.713227  0.812621  0.644524  1
  Al  Al531  1  0.712983  0.513373  0.572503  1
  Al  Al532  1  0.866269  0.335595  0.495845  1
  Al  Al533  1  0.867101  0.937731  0.634380  1
  Al  Al534  1  0.877086  0.641409  0.564798  1
  Al  Al535  1  0.382373  0.149528  0.646747  1
  Al  Al536  1  0.381557  0.856569  0.578822  1
  Al  Al537  1  0.382655  0.554149  0.508331  1
  Al  Al538  1  0.552711  0.267579  0.521283  1
  Al  Al539  1  0.564884  0.868540  0.653103  1
  Al  Al540  1  0.557530  0.568823  0.584043  1
  Al  Al541  1  0.543183  0.334181  0.609366  1
  Al  Al542  1  0.543066  0.038315  0.547778  1
  Al  Al543  1  0.543415  0.739274  0.476824  1
  Al  Al544  1  1.042645  0.348339  0.577746  1
  Al  Al545  1  1.042975  0.057533  0.515086  1
  Al  Al546  1  1.042267  0.657788  0.638996  1
  Al  Al547  1  0.701582  0.323543  0.642400  1
  Al  Al548  1  0.706877  0.022604  0.578313  1
  Al  Al549  1  0.702126  0.726534  0.509829  1
  Al  Al550  1  0.534664  0.103097  0.527009  1
  Al  Al551  1  0.535741  0.690560  0.654133  1
  Al  Al552  1  0.536605  0.395975  0.586317  1
  Al  Al553  1  0.386137  0.288020  0.486280  1
  Al  Al554  1  0.383355  0.886945  0.623302  1
  Al  Al555  1  0.380250  0.586271  0.554919  1
  Al  Al556  1  0.703611  0.086424  0.559938  1
  Al  Al557  1  0.702346  0.787763  0.486835  1
  Al  Al558  1  0.706665  0.383193  0.620235  1
  Al  Al559  1  0.043381  0.317949  0.641318  1
  Al  Al560  1  0.043246  0.019956  0.579381  1
  Al  Al561  1  0.044140  0.723666  0.510040  1
  Al  Al562  1  0.878548  0.200416  0.547067  1
  Al  Al563  1  0.869128  0.904946  0.477260  1
  Al  Al564  1  0.872674  0.494249  0.606701  1
  Al  Al565  1  0.878330  0.168717  0.615689  1
  Al  Al566  1  0.879506  0.867427  0.540370  1
  Al  Al567  1  0.873326  0.460604  0.668992  1
  Al  Al568  1  0.543653  0.366096  0.541744  1
  Al  Al569  1  0.543424  0.075164  0.480454  1
  Al  Al570  1  0.543285  0.666888  0.608780  1
  Al  Al571  1  0.542232  0.314623  0.671961  1
  Al  Al572  1  0.542626  0.002021  0.609774  1
  Al  Al573  1  0.542476  0.705425  0.544427  1
  Al  Al574  1  0.533756  0.102214  0.635123  1
  Al  Al575  1  0.532308  0.805736  0.567359  1
  Al  Al576  1  0.533738  0.501111  0.497508  1
  Al  Al577  1  0.385460  0.222992  0.512518  1
  Al  Al578  1  0.385819  0.824673  0.646103  1
  Al  Al579  1  0.376001  0.517257  0.573440  1
  Al  Al580  1  0.546268  0.195449  0.657127  1
  Al  Al581  1  0.556244  0.901020  0.587754  1
  Al  Al582  1  0.545118  0.602761  0.522559  1
  Al  Al583  1  0.206867  0.205952  0.548344  1
  Al  Al584  1  0.217739  0.908443  0.478029  1
  Al  Al585  1  0.209239  0.497451  0.606616  1
  Al  Al586  1  0.207413  0.174698  0.616864  1
  Al  Al587  1  0.206680  0.873446  0.542032  1
  Al  Al588  1  0.213851  0.469799  0.667930  1
  Al  Al589  1  0.700389  0.145968  0.646573  1
  Al  Al590  1  0.707021  0.849889  0.575781  1
  Al  Al591  1  0.701380  0.550993  0.507424  1
  Al  Al592  1  0.552207  0.272832  0.632548  1
  Al  Al593  1  0.550284  0.971672  0.565923  1
  Al  Al594  1  0.548733  0.676776  0.499029  1
  Al  Al595  1  0.053018  0.122703  0.492044  1
  Al  Al596  1  0.067972  0.717309  0.622980  1
  Al  Al597  1  0.050185  0.411888  0.550056  1
  Al  Al598  1  0.052183  0.122984  0.603338  1
  Al  Al599  1  0.054819  0.822442  0.530558  1
  Al  Al600  1  0.058444  0.419464  0.660179  1
  Al  Al601  1  1.039044  0.281719  0.602328  1
  Al  Al602  1  1.040613  -0.009815  0.534475  1
  Al  Al603  1  1.041567  0.552793  0.663437  1
  Al  Al604  1  1.032089  0.317577  0.532566  1
  Al  Al605  1  1.033095  0.922935  0.665422  1
  Al  Al606  1  1.028202  0.621563  0.599293  1
  Al  Al607  1  0.053108  0.049317  0.624262  1
  Al  Al608  1  0.055237  0.754868  0.555147  1
  Al  Al609  1  0.053382  0.447697  0.482422  1
  Al  Al610  1  0.880155  0.137906  0.570631  1
  Al  Al611  1  0.876684  0.838856  0.496635  1
  Al  Al612  1  0.873806  0.430514  0.629793  1
  Al  Al613  1  0.540103  0.137167  0.570735  1
  Al  Al614  1  0.540192  0.838840  0.498223  1
  Al  Al615  1  0.539698  0.433115  0.627824  1
  Al  Al616  1  0.370710  0.187722  0.581754  1
  Al  Al617  1  0.375021  0.889782  0.509267  1
  Al  Al618  1  0.379632  0.482286  0.637204  1
  Al  Al619  1  0.882692  0.367938  0.540723  1
  Al  Al620  1  0.864572  0.967379  0.673933  1
  Al  Al621  1  0.873261  0.673598  0.612646  1
  Al  Al622  1  0.703070  0.351403  0.578340  1
  Al  Al623  1  0.700643  0.059295  0.516925  1
  Al  Al624  1  0.691202  0.645691  0.642164  1
  Al  Al625  1  0.381921  0.285178  0.600727  1
  Al  Al626  1  0.383632  -0.010256  0.536123  1
  Al  Al627  1  0.400778  0.578374  0.657808  1
  Al  Al628  1  0.543552  0.202695  0.547955  1
  Al  Al629  1  0.547101  0.808087  0.671715  1
  Al  Al630  1  0.546510  0.500356  0.603096  1
  Al  Al631  1  0.052679  0.154875  0.537362  1
  Al  Al632  1  0.046456  0.739708  0.662038  1
  Al  Al633  1  0.046875  0.447305  0.597984  1
  Al  Al634  1  0.873284  0.235910  0.592568  1
  Al  Al635  1  0.879577  0.938672  0.521046  1
  Al  Al636  1  0.850097  0.527297  0.651991  1
  Al  Al637  1  0.379897  0.085390  0.559541  1
  Al  Al638  1  0.381987  0.787042  0.486614  1
  Al  Al639  1  0.373940  0.382572  0.618966  1
  Al  Al640  1  0.536160  0.069637  0.589442  1
  Al  Al641  1  0.533748  0.771133  0.518981  1
  Al  Al642  1  0.528300  0.368844  0.647770  1
  Al  Al643  1  0.876367  0.334340  0.612180  1
  Al  Al644  1  0.876786  0.040107  0.547937  1
  Al  Al645  1  0.875969  0.739720  0.477386  1
  Al  Al646  1  0.716292  0.185945  0.581358  1
  Al  Al647  1  0.710660  0.887420  0.508859  1
  Al  Al648  1  0.708929  0.479215  0.638115  1
