# generated using pymatgen
data_Mg23Al30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.64999875
_cell_length_b   45.46223888
_cell_length_c   53.20319304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.98579744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg23Al30
_chemical_formula_sum   'Mg276 Al360'
_cell_volume   30298.186325
_cell_formula_units_Z   12
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  0.143829  0.262825  0.460986  1
  Mg  Mg2  1  0.380060  0.791894  0.360571  1
  Mg  Mg3  1  0.782746  0.296095  0.344442  1
  Mg  Mg4  1  0.557760  0.766911  0.445800  1
  Mg  Mg5  1  0.392739  0.299286  0.338412  1
  Mg  Mg6  1  0.155257  0.769835  0.436173  1
  Mg  Mg7  1  0.565228  0.324545  0.374436  1
  Mg  Mg8  1  0.331190  0.795416  0.475331  1
  Mg  Mg9  1  0.917276  0.291498  0.490392  1
  Mg  Mg10  1  0.152238  0.821153  0.390337  1
  Mg  Mg11  1  0.320414  0.288548  0.500212  1
  Mg  Mg12  1  0.556131  0.817960  0.399048  1
  Mg  Mg13  1  0.252775  0.194590  0.447938  1
  Mg  Mg14  1  0.488533  0.725384  0.347542  1
  Mg  Mg15  1  0.784767  0.223188  0.346729  1
  Mg  Mg16  1  0.552113  0.695032  0.445541  1
  Mg  Mg17  1  0.403076  0.233587  0.307520  1
  Mg  Mg18  1  0.154426  0.706868  0.406022  1
  Mg  Mg19  1  0.222433  0.863702  0.488481  1
  Mg  Mg20  1  0.458972  0.392951  0.386183  1
  Mg  Mg21  1  0.158635  0.892560  0.389667  1
  Mg  Mg22  1  0.923414  0.363077  0.490366  1
  Mg  Mg23  1  0.556499  0.881034  0.429230  1
  Mg  Mg24  1  0.800572  0.410081  0.328913  1
  Mg  Mg25  1  0.845476  0.321208  0.396750  1
  Mg  Mg26  1  0.612545  0.791378  0.498357  1
  Mg  Mg27  1  0.168580  0.339595  0.338118  1
  Mg  Mg28  1  0.934898  0.810020  0.435318  1
  Mg  Mg29  1  0.252633  0.310818  0.432738  1
  Mg  Mg30  1  0.488445  0.839532  0.335020  1
  Mg  Mg31  1  0.862353  0.266918  0.437812  1
  Mg  Mg32  1  0.099986  0.796491  0.339579  1
  Mg  Mg33  1  0.540634  0.248246  0.500934  1
  Mg  Mg34  1  0.775755  0.777811  0.400092  1
  Mg  Mg35  1  0.457165  0.276831  0.402284  1
  Mg  Mg36  1  0.690543  0.806094  0.307077  1
  Mg  Mg37  1  0.254740  0.993852  0.459846  1
  Mg  Mg38  1  0.489497  0.523224  0.360159  1
  Mg  Mg39  1  0.219698  0.064650  0.475344  1
  Mg  Mg40  1  0.455839  0.594466  0.375177  1
  Mg  Mg41  1  0.312248  0.878983  0.435967  1
  Mg  Mg42  1  0.547311  0.408685  0.331855  1
  Mg  Mg43  1  0.162640  0.179095  0.500435  1
  Mg  Mg44  1  0.398070  0.709110  0.399449  1
  Mg  Mg45  1  0.581656  0.334876  0.318373  1
  Mg  Mg46  1  0.355700  0.793629  0.417732  1
  Mg  Mg47  1  0.793840  0.970474  0.326945  1
  Mg  Mg48  1  0.556189  0.439070  0.426070  1
  Mg  Mg49  1  0.970165  0.943521  0.411951  1
  Mg  Mg50  1  0.194488  0.473401  0.311976  1
  Mg  Mg51  1  0.566572  0.946396  0.402841  1
  Mg  Mg52  1  0.805160  0.476072  0.306919  1
  Mg  Mg53  1  0.742602  0.972161  0.441230  1
  Mg  Mg54  1  0.978103  0.502007  0.339868  1
  Mg  Mg55  1  0.564368  0.997379  0.357830  1
  Mg  Mg56  1  0.330145  0.467630  0.456480  1
  Mg  Mg57  1  0.967540  0.993522  0.365941  1
  Mg  Mg58  1  0.731918  0.464689  0.465998  1
  Mg  Mg59  1  0.663571  0.371361  0.413903  1
  Mg  Mg60  1  0.887858  0.902693  0.315386  1
  Mg  Mg61  1  0.203992  0.401733  0.314671  1
  Mg  Mg62  1  0.963565  0.871524  0.411697  1
  Mg  Mg63  1  0.330532  0.353692  0.472999  1
  Mg  Mg64  1  0.566636  0.883524  0.372266  1
  Mg  Mg65  1  0.633247  0.040394  0.455010  1
  Mg  Mg66  1  0.870617  0.570650  0.353315  1
  Mg  Mg67  1  0.568362  0.069614  0.357276  1
  Mg  Mg68  1  0.335391  0.539716  0.456720  1
  Mg  Mg69  1  0.970821  0.057902  0.395215  1
  Mg  Mg70  1  0.733074  0.527898  0.495905  1
  Mg  Mg71  1  0.023991  0.968163  0.464468  1
  Mg  Mg72  1  0.259013  0.498057  0.363438  1
  Mg  Mg73  1  0.346144  0.986679  0.401153  1
  Mg  Mg74  1  0.582438  0.517114  0.305942  1
  Mg  Mg75  1  0.429388  0.957774  0.499653  1
  Mg  Mg76  1  0.664848  0.487248  0.398282  1
  Mg  Mg77  1  0.515211  0.972413  0.308902  1
  Mg  Mg78  1  0.276237  0.443251  0.403908  1
  Mg  Mg79  1  0.186445  0.953829  0.366812  1
  Mg  Mg80  1  0.952019  0.424599  0.466756  1
  Mg  Mg81  1  0.633886  0.923957  0.469324  1
  Mg  Mg82  1  0.869611  0.453842  0.368160  1
  Mg  Mg83  1  0.667721  0.170094  0.427445  1
  Mg  Mg84  1  0.906895  0.700045  0.329545  1
  Mg  Mg85  1  0.631606  0.241372  0.442426  1
  Mg  Mg86  1  0.865073  0.770526  0.343864  1
  Mg  Mg87  1  0.723807  0.056315  0.402837  1
  Mg  Mg88  1  0.958714  0.588112  0.300261  1
  Mg  Mg89  1  0.573873  0.356301  0.466762  1
  Mg  Mg90  1  0.808210  0.884862  0.365991  1
  Mg  Mg91  1  0.768148  0.968348  0.383438  1
  Mg  Mg92  1  0.532766  0.439311  0.483933  1
  Mg  Mg93  1  0.732919  0.086066  0.494601  1
  Mg  Mg94  1  0.966844  0.616036  0.392389  1
  Mg  Mg95  1  0.381792  0.121994  0.379512  1
  Mg  Mg96  1  0.146508  0.590469  0.478969  1
  Mg  Mg97  1  0.979780  0.124347  0.372075  1
  Mg  Mg98  1  0.743416  0.593186  0.469431  1
  Mg  Mg99  1  0.155050  0.148420  0.408156  1
  Mg  Mg100  1  0.400727  0.680459  0.310140  1
  Mg  Mg101  1  0.969886  0.173293  0.323491  1
  Mg  Mg102  1  0.741584  0.644331  0.423262  1
  Mg  Mg103  1  0.386526  0.169615  0.335136  1
  Mg  Mg104  1  0.144514  0.641526  0.432823  1
  Mg  Mg105  1  0.841138  0.017885  0.480742  1
  Mg  Mg106  1  0.075778  0.548209  0.380426  1
  Mg  Mg107  1  0.371890  0.048130  0.376981  1
  Mg  Mg108  1  0.140381  0.518312  0.478524  1
  Mg  Mg109  1  0.977029  0.057680  0.338616  1
  Mg  Mg110  1  0.742164  0.529943  0.439089  1
  Mg  Mg111  1  0.045110  0.216849  0.421692  1
  Mg  Mg112  1  0.276551  0.746986  0.321199  1
  Mg  Mg113  1  0.984986  0.243956  0.326561  1
  Mg  Mg114  1  0.747620  0.716192  0.423478  1
  Mg  Mg115  1  0.379917  0.233184  0.362508  1
  Mg  Mg116  1  0.145115  0.704527  0.462931  1
  Mg  Mg117  1  0.436756  0.144898  0.431777  1
  Mg  Mg118  1  0.670353  0.673854  0.332776  1
  Mg  Mg119  1  0.760175  0.162348  0.369605  1
  Mg  Mg120  1  0.523209  0.633458  0.468949  1
  Mg  Mg121  1  0.841795  0.134276  0.466817  1
  Mg  Mg122  1  0.077741  0.664306  0.365742  1
  Mg  Mg123  1  0.449499  0.090167  0.471063  1
  Mg  Mg124  1  0.687081  0.619923  0.370722  1
  Mg  Mg125  1  0.604918  0.130207  0.336871  1
  Mg  Mg126  1  0.364317  0.601285  0.433524  1
  Mg  Mg127  1  0.045512  0.100511  0.436173  1
  Mg  Mg128  1  0.281474  0.631072  0.337025  1
  Mg  Mg129  1  0.077249  0.346373  0.393380  1
  Mg  Mg130  1  0.843679  0.816887  0.493897  1
  Mg  Mg131  1  0.282829  0.946282  0.312895  1
  Mg  Mg132  1  0.042938  0.417795  0.408495  1
  Mg  Mg133  1  0.136355  0.232261  0.370215  1
  Mg  Mg134  1  0.901258  0.702322  0.469515  1
  Mg  Mg135  1  0.218462  0.053494  0.325619  1
  Mg  Mg136  1  0.985829  0.532357  0.432829  1
  Mg  Mg137  1  0.176368  0.155251  0.352114  1
  Mg  Mg138  1  0.944329  0.616771  0.450578  1
  Mg  Mg139  1  0.673823  0.202955  0.663016  1
  Mg  Mg140  1  0.909323  0.732801  0.561654  1
  Mg  Mg141  1  0.321781  0.237332  0.546404  1
  Mg  Mg142  1  0.087558  0.707583  0.645054  1
  Mg  Mg143  1  0.920007  0.240273  0.536886  1
  Mg  Mg144  1  0.684386  0.711440  0.636943  1
  Mg  Mg145  1  0.095737  0.265892  0.576814  1
  Mg  Mg146  1  0.858086  0.734488  0.675939  1
  Mg  Mg147  1  0.457438  0.231561  0.690908  1
  Mg  Mg148  1  0.681761  0.761441  0.590933  1
  Mg  Mg149  1  0.846766  0.228890  0.695965  1
  Mg  Mg150  1  0.085354  0.758566  0.600043  1
  Mg  Mg151  1  0.781308  0.134312  0.649569  1
  Mg  Mg152  1  0.018679  0.664568  0.547874  1
  Mg  Mg153  1  0.316535  0.165246  0.546164  1
  Mg  Mg154  1  0.083563  0.635348  0.645608  1
  Mg  Mg155  1  0.918852  0.177064  0.506979  1
  Mg  Mg156  1  0.681104  0.647060  0.607669  1
  Mg  Mg157  1  0.764068  0.802269  0.687498  1
  Mg  Mg158  1  0.988355  0.333601  0.588981  1
  Mg  Mg159  1  0.688361  0.833438  0.591187  1
  Mg  Mg160  1  0.447934  0.303229  0.688213  1
  Mg  Mg161  1  0.085290  0.821438  0.630619  1
  Mg  Mg162  1  0.321394  0.351270  0.529885  1
  Mg  Mg163  1  0.375689  0.261711  0.598976  1
  Mg  Mg164  1  0.136715  0.732549  0.693982  1
  Mg  Mg165  1  0.699907  0.280363  0.536128  1
  Mg  Mg166  1  0.465481  0.751132  0.636072  1
  Mg  Mg167  1  0.782315  0.251120  0.634724  1
  Mg  Mg168  1  0.018040  0.781005  0.533560  1
  Mg  Mg169  1  0.392913  0.206905  0.639446  1
  Mg  Mg170  1  0.627934  0.736799  0.538416  1
  Mg  Mg171  1  0.069488  0.187847  0.696942  1
  Mg  Mg172  1  0.305782  0.718283  0.601731  1
  Mg  Mg173  1  0.987077  0.217714  0.604602  1
  Mg  Mg174  1  0.222538  0.747188  0.503231  1
  Mg  Mg175  1  0.786853  0.934436  0.659020  1
  Mg  Mg176  1  0.020320  0.463590  0.560458  1
  Mg  Mg177  1  0.745031  0.004917  0.673339  1
  Mg  Mg178  1  0.984205  0.534868  0.575439  1
  Mg  Mg179  1  0.843716  0.820100  0.636894  1
  Mg  Mg180  1  0.078053  0.348661  0.536122  1
  Mg  Mg181  1  0.693212  0.116850  0.702623  1
  Mg  Mg182  1  0.928119  0.648647  0.600047  1
  Mg  Mg183  1  0.119160  0.265651  0.518951  1
  Mg  Mg184  1  0.883777  0.736614  0.619446  1
  Mg  Mg185  1  0.320736  0.909546  0.527553  1
  Mg  Mg186  1  0.086698  0.380417  0.628448  1
  Mg  Mg187  1  0.499688  0.883809  0.612548  1
  Mg  Mg188  1  0.734650  0.413464  0.512492  1
  Mg  Mg189  1  0.095794  0.887002  0.603836  1
  Mg  Mg190  1  0.331512  0.416414  0.502672  1
  Mg  Mg191  1  0.271865  0.913068  0.642313  1
  Mg  Mg192  1  0.508097  0.442137  0.541898  1
  Mg  Mg193  1  0.094165  0.938051  0.557084  1
  Mg  Mg194  1  0.869180  0.408867  0.658443  1
  Mg  Mg195  1  0.496669  0.935126  0.566711  1
  Mg  Mg196  1  0.259187  0.405676  0.664473  1
  Mg  Mg197  1  0.192954  0.312011  0.616701  1
  Mg  Mg198  1  0.429493  0.841260  0.514403  1
  Mg  Mg199  1  0.728512  0.341885  0.512518  1
  Mg  Mg200  1  0.493291  0.812402  0.613217  1
  Mg  Mg201  1  0.851354  0.294881  0.673971  1
  Mg  Mg202  1  0.095427  0.823928  0.573654  1
  Mg  Mg203  1  0.163393  0.979578  0.655343  1
  Mg  Mg204  1  0.399151  0.510372  0.554946  1
  Mg  Mg205  1  0.099813  0.009930  0.557343  1
  Mg  Mg206  1  0.867159  0.481774  0.656155  1
  Mg  Mg207  1  0.497499  0.998094  0.596862  1
  Mg  Mg208  1  0.248850  0.471375  0.695364  1
  Mg  Mg209  1  0.551940  0.908471  0.663305  1
  Mg  Mg210  1  0.789573  0.438044  0.565072  1
  Mg  Mg211  1  0.876171  0.927151  0.602792  1
  Mg  Mg212  1  0.111292  0.456716  0.501950  1
  Mg  Mg213  1  0.961383  0.898867  0.695807  1
  Mg  Mg214  1  0.194761  0.428131  0.600600  1
  Mg  Mg215  1  0.039380  0.913584  0.504527  1
  Mg  Mg216  1  0.806450  0.383754  0.606134  1
  Mg  Mg217  1  0.717027  0.894942  0.567566  1
  Mg  Mg218  1  0.483346  0.365366  0.664766  1
  Mg  Mg219  1  0.163481  0.865430  0.667864  1
  Mg  Mg220  1  0.399293  0.394144  0.570146  1
  Mg  Mg221  1  0.196087  0.110496  0.627707  1
  Mg  Mg222  1  0.432227  0.640312  0.527541  1
  Mg  Mg223  1  0.162429  0.181738  0.642725  1
  Mg  Mg224  1  0.397186  0.711110  0.543038  1
  Mg  Mg225  1  0.253855  0.995852  0.603435  1
  Mg  Mg226  1  0.489286  0.525867  0.502449  1
  Mg  Mg227  1  0.104615  0.296276  0.671029  1
  Mg  Mg228  1  0.339678  0.825979  0.566917  1
  Mg  Mg229  1  0.296226  0.911333  0.585152  1
  Mg  Mg230  1  0.070270  0.370086  0.684512  1
  Mg  Mg231  1  0.251198  0.024503  0.692745  1
  Mg  Mg232  1  0.496875  0.556542  0.594728  1
  Mg  Mg233  1  0.910342  0.060631  0.579622  1
  Mg  Mg234  1  0.682040  0.531668  0.679393  1
  Mg  Mg235  1  0.507412  0.063436  0.570061  1
  Mg  Mg236  1  0.265400  0.535347  0.667748  1
  Mg  Mg237  1  0.685082  0.088926  0.610495  1
  Mg  Mg238  1  0.919006  0.618896  0.508283  1
  Mg  Mg239  1  0.505418  0.114493  0.523915  1
  Mg  Mg240  1  0.270133  0.582968  0.623372  1
  Mg  Mg241  1  0.908510  0.111775  0.533453  1
  Mg  Mg242  1  0.672146  0.580615  0.630809  1
  Mg  Mg243  1  0.375375  0.957976  0.681685  1
  Mg  Mg244  1  0.606816  0.488113  0.581192  1
  Mg  Mg245  1  0.904306  0.988770  0.579406  1
  Mg  Mg246  1  0.666940  0.461006  0.676323  1
  Mg  Mg247  1  0.506810  1.000435  0.539953  1
  Mg  Mg248  1  0.272009  0.471778  0.640376  1
  Mg  Mg249  1  0.576148  0.156753  0.622458  1
  Mg  Mg250  1  0.810787  0.687077  0.522142  1
  Mg  Mg251  1  0.511544  0.186650  0.524360  1
  Mg  Mg252  1  0.280036  0.656832  0.625903  1
  Mg  Mg253  1  0.909761  0.175019  0.563795  1
  Mg  Mg254  1  0.674897  0.647282  0.664269  1
  Mg  Mg255  1  0.964845  0.085039  0.632162  1
  Mg  Mg256  1  0.202427  0.614795  0.531821  1
  Mg  Mg257  1  0.287608  0.103677  0.569360  1
  Mg  Mg258  1  0.047008  0.574755  0.666013  1
  Mg  Mg259  1  0.370451  0.073890  0.665859  1
  Mg  Mg260  1  0.606414  0.604451  0.566711  1
  Mg  Mg261  1  0.981573  0.031107  0.670108  1
  Mg  Mg262  1  0.215170  0.560064  0.571107  1
  Mg  Mg263  1  0.128717  0.071504  0.533935  1
  Mg  Mg264  1  0.891751  0.542614  0.633279  1
  Mg  Mg265  1  0.574185  0.040656  0.637142  1
  Mg  Mg266  1  0.810131  0.570686  0.536067  1
  Mg  Mg267  1  0.608988  0.287167  0.594389  1
  Mg  Mg268  1  0.369097  0.758680  0.689989  1
  Mg  Mg269  1  0.808247  0.888075  0.508987  1
  Mg  Mg270  1  0.574677  0.358589  0.609505  1
  Mg  Mg271  1  0.666097  0.172605  0.570055  1
  Mg  Mg272  1  0.433464  0.651468  0.677265  1
  Mg  Mg273  1  0.750668  0.002640  0.533369  1
  Mg  Mg274  1  0.515571  0.472701  0.632669  1
  Mg  Mg275  1  0.707597  0.088191  0.552306  1
  Mg  Mg276  1  0.475558  0.549711  0.650770  1
  Al  Al277  1  0.094266  0.901744  0.447868  1
  Al  Al278  1  0.329789  0.431863  0.347654  1
  Al  Al279  1  0.315431  0.221383  0.495463  1
  Al  Al280  1  0.552807  0.750838  0.394834  1
  Al  Al281  1  0.003444  0.225937  0.480066  1
  Al  Al282  1  0.238767  0.755559  0.378648  1
  Al  Al283  1  0.581702  0.262856  0.349051  1
  Al  Al284  1  0.346756  0.734474  0.449558  1
  Al  Al285  1  0.387375  0.365860  0.341063  1
  Al  Al286  1  0.159057  0.836974  0.441058  1
  Al  Al287  1  0.704642  0.363339  0.357626  1
  Al  Al288  1  0.472092  0.832408  0.456387  1
  Al  Al289  1  0.129148  0.323728  0.486186  1
  Al  Al290  1  0.363944  0.853021  0.386525  1
  Al  Al291  1  0.371947  0.916746  0.396398  1
  Al  Al292  1  0.136484  0.387204  0.496547  1
  Al  Al293  1  0.434472  0.892527  0.479288  1
  Al  Al294  1  0.668281  0.421762  0.376873  1
  Al  Al295  1  0.380509  0.156426  0.488261  1
  Al  Al296  1  0.616210  0.686207  0.387567  1
  Al  Al297  1  0.578752  0.200016  0.338340  1
  Al  Al298  1  0.339110  0.670898  0.439228  1
  Al  Al299  1  0.041557  0.165804  0.456986  1
  Al  Al300  1  0.277264  0.695867  0.355749  1
  Al  Al301  1  0.240885  0.927962  0.474672  1
  Al  Al302  1  0.476809  0.457216  0.373205  1
  Al  Al303  1  0.204395  0.942557  0.425152  1
  Al  Al304  1  0.436714  0.472487  0.324629  1
  Al  Al305  1  0.407074  0.936975  0.444012  1
  Al  Al306  1  0.641583  0.466073  0.342721  1
  Al  Al307  1  0.234312  0.130249  0.461063  1
  Al  Al308  1  0.469750  0.660375  0.360825  1
  Al  Al309  1  0.742428  0.171021  0.313602  1
  Al  Al310  1  0.506379  0.645437  0.410366  1
  Al  Al311  1  0.068079  0.121242  0.491927  1
  Al  Al312  1  0.303704  0.651164  0.391347  1
  Al  Al313  1  0.002353  0.319143  0.444698  1
  Al  Al314  1  0.238378  0.848260  0.345572  1
  Al  Al315  1  0.919397  0.348468  0.345514  1
  Al  Al316  1  0.686164  0.818572  0.446483  1
  Al  Al317  1  0.328197  0.337364  0.382557  1
  Al  Al318  1  0.094340  0.807933  0.482455  1
  Al  Al319  1  0.705734  0.268818  0.390679  1
  Al  Al320  1  0.472269  0.738893  0.491322  1
  Al  Al321  1  0.789142  0.239751  0.489845  1
  Al  Al322  1  0.024676  0.769346  0.389327  1
  Al  Al323  1  0.380722  0.250386  0.453974  1
  Al  Al324  1  0.615569  0.779578  0.353472  1
  Al  Al325  1  0.102263  0.367478  0.449439  1
  Al  Al326  1  0.338745  0.896619  0.349721  1
  Al  Al327  1  0.859532  0.387098  0.382896  1
  Al  Al328  1  0.624545  0.857265  0.483880  1
  Al  Al329  1  0.221042  0.391135  0.370190  1
  Al  Al330  1  0.986195  0.861332  0.470114  1
  Al  Al331  1  0.607814  0.220233  0.385983  1
  Al  Al332  1  0.372884  0.690621  0.486459  1
  Al  Al333  1  0.850947  0.201140  0.452594  1
  Al  Al334  1  0.086981  0.730719  0.352104  1
  Al  Al335  1  0.489009  0.196993  0.466384  1
  Al  Al336  1  0.724365  0.726285  0.365406  1
  Al  Al337  1  0.503798  0.078442  0.414417  1
  Al  Al338  1  0.738676  0.607986  0.314487  1
  Al  Al339  1  0.963303  0.926618  0.361178  1
  Al  Al340  1  0.729174  0.397692  0.461242  1
  Al  Al341  1  0.652726  0.931889  0.345716  1
  Al  Al342  1  0.415089  0.402206  0.445142  1
  Al  Al343  1  0.758357  0.910860  0.415786  1
  Al  Al344  1  0.999680  0.439124  0.317673  1
  Al  Al345  1  0.570535  0.013912  0.407527  1
  Al  Al346  1  0.802610  0.543115  0.308421  1
  Al  Al347  1  0.883726  0.009145  0.422239  1
  Al  Al348  1  0.118803  0.541776  0.324768  1
  Al  Al349  1  0.772436  0.029545  0.354718  1
  Al  Al350  1  0.540327  0.499790  0.452607  1
  Al  Al351  1  0.787693  0.093294  0.363665  1
  Al  Al352  1  0.548707  0.563868  0.463022  1
  Al  Al353  1  0.846499  0.068937  0.446078  1
  Al  Al354  1  0.080761  0.599384  0.344371  1
  Al  Al355  1  0.791689  0.333136  0.454213  1
  Al  Al356  1  0.024411  0.862879  0.353474  1
  Al  Al357  1  0.002769  0.379188  0.306624  1
  Al  Al358  1  0.750556  0.847300  0.405755  1
  Al  Al359  1  0.453041  0.342379  0.422892  1
  Al  Al360  1  0.686485  0.871430  0.321755  1
  Al  Al361  1  0.652358  0.104402  0.441870  1
  Al  Al362  1  0.887154  0.634657  0.339448  1
  Al  Al363  1  0.617127  0.118940  0.392548  1
  Al  Al364  1  0.381543  0.589353  0.492077  1
  Al  Al365  1  0.819918  0.113364  0.411545  1
  Al  Al366  1  0.056279  0.644273  0.311438  1
  Al  Al367  1  0.645317  0.307011  0.427589  1
  Al  Al368  1  0.879885  0.835533  0.326704  1
  Al  Al369  1  0.682202  0.292435  0.477361  1
  Al  Al370  1  0.917585  0.821996  0.376618  1
  Al  Al371  1  0.479461  0.298037  0.458428  1
  Al  Al372  1  0.715461  0.827864  0.358118  1
  Al  Al373  1  0.647309  0.025631  0.313955  1
  Al  Al374  1  0.415130  0.495503  0.410814  1
  Al  Al375  1  0.098523  0.995519  0.412487  1
  Al  Al376  1  0.332308  0.524874  0.313966  1
  Al  Al377  1  0.505303  0.984757  0.448674  1
  Al  Al378  1  0.739959  0.514393  0.349016  1
  Al  Al379  1  0.883632  0.915617  0.457465  1
  Al  Al380  1  0.120141  0.445543  0.357706  1
  Al  Al381  1  0.438099  0.945136  0.356241  1
  Al  Al382  1  0.200963  0.416068  0.455715  1
  Al  Al383  1  0.028767  0.953646  0.320412  1
  Al  Al384  1  0.791820  0.426778  0.419285  1
  Al  Al385  1  0.746825  0.073842  0.318285  1
  Al  Al386  1  0.514798  0.543936  0.416061  1
  Al  Al387  1  0.036884  0.033953  0.450013  1
  Al  Al388  1  0.272787  0.564212  0.350368  1
  Al  Al389  1  0.396169  0.038083  0.436221  1
  Al  Al390  1  0.632707  0.568043  0.336926  1
  Al  Al391  1  0.784353  0.867210  0.452787  1
  Al  Al392  1  0.022174  0.396658  0.353184  1
  Al  Al393  1  0.499251  0.906603  0.318663  1
  Al  Al394  1  0.262770  0.377451  0.418393  1
  Al  Al395  1  0.133986  0.902599  0.331791  1
  Al  Al396  1  0.900187  0.373356  0.431929  1
  Al  Al397  1  0.914811  0.255252  0.380874  1
  Al  Al398  1  0.683011  0.725080  0.481592  1
  Al  Al399  1  0.338883  0.099995  0.334356  1
  Al  Al400  1  0.139984  0.574345  0.427859  1
  Al  Al401  1  0.090739  0.109770  0.325016  1
  Al  Al402  1  0.827480  0.578886  0.412116  1
  Al  Al403  1  0.176545  0.088943  0.374348  1
  Al  Al404  1  0.934918  0.557851  0.482567  1
  Al  Al405  1  0.978048  0.191380  0.374030  1
  Al  Al406  1  0.747601  0.660364  0.474339  1
  Al  Al407  1  0.298247  0.186391  0.390611  1
  Al  Al408  1  0.061012  0.655811  0.489910  1
  Al  Al409  1  0.200815  0.209835  0.323270  1
  Al  Al410  1  0.952540  0.676477  0.419584  1
  Al  Al411  1  0.201438  0.269125  0.329388  1
  Al  Al412  1  0.960449  0.740433  0.429959  1
  Al  Al413  1  0.258170  0.245746  0.412831  1
  Al  Al414  1  0.491356  0.776191  0.312167  1
  Al  Al415  1  0.442657  0.039183  0.321793  1
  Al  Al416  1  0.204392  0.509534  0.420605  1
  Al  Al417  1  0.162679  0.023936  0.370672  1
  Al  Al418  1  0.926816  0.494068  0.472301  1
  Al  Al419  1  0.628988  0.989099  0.489788  1
  Al  Al420  1  0.865635  0.519150  0.388663  1
  Al  Al421  1  0.062956  0.281120  0.407769  1
  Al  Al422  1  0.302195  0.809755  0.309692  1
  Al  Al423  1  0.025651  0.295209  0.358004  1
  Al  Al424  1  0.792986  0.765873  0.458813  1
  Al  Al425  1  0.230182  0.289523  0.377115  1
  Al  Al426  1  0.995856  0.760240  0.477750  1
  Al  Al427  1  0.822383  0.953790  0.494375  1
  Al  Al428  1  0.057292  0.483836  0.393548  1
  Al  Al429  1  0.331541  0.997179  0.342995  1
  Al  Al430  1  0.094366  0.468766  0.443341  1
  Al  Al431  1  0.127685  0.999959  0.325231  1
  Al  Al432  1  0.891156  0.474460  0.424334  1
  Al  Al433  1  0.591587  0.142610  0.478760  1
  Al  Al434  1  0.827205  0.672044  0.377677  1
  Al  Al435  1  0.512924  0.171960  0.380212  1
  Al  Al436  1  0.274870  0.642089  0.479971  1
  Al  Al437  1  0.917726  0.161583  0.416419  1
  Al  Al438  1  0.155634  0.691764  0.315733  1
  Al  Al439  1  0.293032  0.092379  0.423244  1
  Al  Al440  1  0.529355  0.622378  0.325028  1
  Al  Al441  1  0.859760  0.119949  0.324562  1
  Al  Al442  1  0.613208  0.592634  0.422459  1
  Al  Al443  1  0.969474  0.073543  0.487021  1
  Al  Al444  1  0.203778  0.603583  0.386451  1
  Al  Al445  1  0.691140  0.191024  0.483567  1
  Al  Al446  1  0.926851  0.720485  0.383142  1
  Al  Al447  1  0.449365  0.210699  0.417642  1
  Al  Al448  1  0.686030  0.740126  0.317433  1
  Al  Al449  1  0.808449  0.214776  0.403786  1
  Al  Al450  1  0.039508  0.745902  0.306495  1
  Al  Al451  1  0.195320  0.044608  0.417761  1
  Al  Al452  1  0.432474  0.573399  0.319891  1
  Al  Al453  1  0.438542  0.024375  0.485255  1
  Al  Al454  1  0.675191  0.554220  0.384888  1
  Al  Al455  1  0.077067  0.020271  0.499003  1
  Al  Al456  1  0.312453  0.550082  0.398758  1
  Al  Al457  1  0.627515  0.842083  0.649411  1
  Al  Al458  1  0.860237  0.371826  0.548671  1
  Al  Al459  1  0.849316  0.161847  0.694463  1
  Al  Al460  1  0.081390  0.691050  0.595358  1
  Al  Al461  1  0.533123  0.163186  0.678116  1
  Al  Al462  1  0.768200  0.695817  0.580645  1
  Al  Al463  1  0.111599  0.205172  0.550277  1
  Al  Al464  1  0.879489  0.675417  0.648166  1
  Al  Al465  1  0.922752  0.307270  0.541642  1
  Al  Al466  1  0.688622  0.778344  0.641706  1
  Al  Al467  1  0.236837  0.302756  0.557742  1
  Al  Al468  1  0.999199  0.773073  0.657168  1
  Al  Al469  1  0.652246  0.265838  0.685211  1
  Al  Al470  1  0.893568  0.794101  0.587098  1
  Al  Al471  1  0.901369  0.857662  0.597130  1
  Al  Al472  1  0.649157  0.325774  0.696260  1
  Al  Al473  1  0.965441  0.833532  0.681129  1
  Al  Al474  1  0.198884  0.362583  0.579992  1
  Al  Al475  1  0.913249  0.096976  0.688397  1
  Al  Al476  1  0.148128  0.626520  0.588467  1
  Al  Al477  1  0.103219  0.141093  0.539862  1
  Al  Al478  1  0.864233  0.611668  0.639219  1
  Al  Al479  1  0.571165  0.105578  0.658514  1
  Al  Al480  1  0.805427  0.636025  0.556807  1
  Al  Al481  1  0.772041  0.869429  0.676180  1
  Al  Al482  1  0.006609  0.397951  0.575296  1
  Al  Al483  1  0.734341  0.882966  0.626266  1
  Al  Al484  1  0.969724  0.412527  0.525523  1
  Al  Al485  1  0.936465  0.877098  0.644766  1
  Al  Al486  1  0.172465  0.406925  0.544456  1
  Al  Al487  1  0.764771  0.070305  0.663436  1
  Al  Al488  1  0.999568  0.600560  0.561014  1
  Al  Al489  1  0.270383  0.115609  0.510807  1
  Al  Al490  1  0.034799  0.586022  0.610336  1
  Al  Al491  1  0.595647  0.060689  0.691446  1
  Al  Al492  1  0.832008  0.591598  0.591340  1
  Al  Al493  1  0.531785  0.259419  0.645178  1
  Al  Al494  1  0.768294  0.789345  0.545419  1
  Al  Al495  1  0.450962  0.288894  0.547169  1
  Al  Al496  1  0.213826  0.759826  0.646643  1
  Al  Al497  1  0.860106  0.278184  0.583599  1
  Al  Al498  1  0.623159  0.751316  0.682472  1
  Al  Al499  1  0.236795  0.209459  0.592070  1
  Al  Al500  1  0.004617  0.679331  0.688929  1
  Al  Al501  1  0.319617  0.180088  0.688918  1
  Al  Al502  1  0.553403  0.709443  0.590397  1
  Al  Al503  1  0.911967  0.190569  0.653868  1
  Al  Al504  1  0.146623  0.720205  0.554211  1
  Al  Al505  1  0.629752  0.308304  0.649700  1
  Al  Al506  1  0.867572  0.837752  0.550097  1
  Al  Al507  1  0.389156  0.327511  0.584491  1
  Al  Al508  1  0.152674  0.798359  0.684221  1
  Al  Al509  1  0.751739  0.331605  0.570955  1
  Al  Al510  1  0.517940  0.802363  0.671093  1
  Al  Al511  1  0.137127  0.161026  0.586823  1
  Al  Al512  1  0.905100  0.631120  0.684599  1
  Al  Al513  1  0.379139  0.140750  0.652516  1
  Al  Al514  1  0.615041  0.671009  0.552871  1
  Al  Al515  1  0.019219  0.136919  0.665958  1
  Al  Al516  1  0.255757  0.666879  0.566663  1
  Al  Al517  1  0.035716  0.018755  0.615317  1
  Al  Al518  1  0.271416  0.548536  0.514623  1
  Al  Al519  1  0.492869  0.867988  0.561826  1
  Al  Al520  1  0.264550  0.339102  0.661821  1
  Al  Al521  1  0.179834  0.872554  0.546497  1
  Al  Al522  1  0.947284  0.341623  0.645258  1
  Al  Al523  1  0.287982  0.851940  0.616359  1
  Al  Al524  1  0.522778  0.381234  0.516698  1
  Al  Al525  1  0.099119  0.954124  0.608050  1
  Al  Al526  1  0.336494  0.483579  0.507421  1
  Al  Al527  1  0.413159  0.949403  0.624236  1
  Al  Al528  1  0.648482  0.479025  0.522818  1
  Al  Al529  1  0.305169  0.970488  0.553326  1
  Al  Al530  1  0.070224  0.442106  0.653833  1
  Al  Al531  1  0.312816  0.034064  0.563656  1
  Al  Al532  1  0.073174  0.504946  0.664544  1
  Al  Al533  1  0.374661  0.009095  0.647136  1
  Al  Al534  1  0.610369  0.539158  0.545898  1
  Al  Al535  1  0.322136  0.273099  0.655230  1
  Al  Al536  1  0.557660  0.803218  0.555016  1
  Al  Al537  1  0.515441  0.317758  0.506338  1
  Al  Al538  1  0.279979  0.788216  0.606486  1
  Al  Al539  1  0.983645  0.283200  0.626012  1
  Al  Al540  1  0.217453  0.812435  0.523596  1
  Al  Al541  1  0.182175  0.044586  0.642059  1
  Al  Al542  1  0.417614  0.574713  0.541821  1
  Al  Al543  1  0.145547  0.059525  0.592518  1
  Al  Al544  1  0.909498  0.533941  0.689282  1
  Al  Al545  1  0.348221  0.053798  0.611537  1
  Al  Al546  1  0.583847  0.583720  0.510957  1
  Al  Al547  1  0.175117  0.247746  0.629679  1
  Al  Al548  1  0.411041  0.777000  0.528212  1
  Al  Al549  1  0.215212  0.232475  0.678255  1
  Al  Al550  1  0.447531  0.762405  0.577732  1
  Al  Al551  1  0.010342  0.238889  0.660163  1
  Al  Al552  1  0.244852  0.767987  0.558872  1
  Al  Al553  1  0.179657  0.966069  0.511562  1
  Al  Al554  1  0.946191  0.436144  0.612205  1
  Al  Al555  1  0.627250  0.935616  0.613557  1
  Al  Al556  1  0.862784  0.465211  0.513039  1
  Al  Al557  1  0.036357  0.925384  0.649412  1
  Al  Al558  1  0.271204  0.454576  0.548910  1
  Al  Al559  1  0.413548  0.856702  0.657312  1
  Al  Al560  1  0.649573  0.385819  0.558186  1
  Al  Al561  1  0.965762  0.886389  0.556401  1
  Al  Al562  1  0.732529  0.356494  0.657370  1
  Al  Al563  1  0.557586  0.897029  0.520430  1
  Al  Al564  1  0.323729  0.367598  0.620327  1
  Al  Al565  1  0.279041  0.014341  0.516425  1
  Al  Al566  1  0.044111  0.484729  0.616901  1
  Al  Al567  1  0.564945  0.974243  0.650780  1
  Al  Al568  1  0.800978  0.503822  0.550290  1
  Al  Al569  1  0.927560  0.978676  0.637478  1
  Al  Al570  1  0.162917  0.507969  0.536500  1
  Al  Al571  1  0.313181  0.808343  0.653163  1
  Al  Al572  1  0.549663  0.337484  0.553445  1
  Al  Al573  1  0.027381  0.847697  0.519004  1
  Al  Al574  1  0.792394  0.317864  0.619988  1
  Al  Al575  1  0.665731  0.843630  0.532770  1
  Al  Al576  1  0.430883  0.313827  0.632694  1
  Al  Al577  1  0.447534  0.195428  0.582279  1
  Al  Al578  1  0.209269  0.665779  0.681091  1
  Al  Al579  1  0.904325  0.044598  0.528545  1
  Al  Al580  1  0.673878  0.513582  0.628854  1
  Al  Al581  1  0.590913  0.049150  0.512974  1
  Al  Al582  1  0.353679  0.518571  0.612273  1
  Al  Al583  1  0.699385  0.028485  0.583300  1
  Al  Al584  1  0.451111  0.495127  0.679614  1
  Al  Al585  1  0.511942  0.130617  0.575025  1
  Al  Al586  1  0.313042  0.604967  0.668528  1
  Al  Al587  1  0.824446  0.126076  0.590768  1
  Al  Al588  1  0.561187  0.595192  0.677868  1
  Al  Al589  1  0.717008  0.147111  0.520317  1
  Al  Al590  1  0.475380  0.616019  0.628537  1
  Al  Al591  1  0.725110  0.210894  0.530583  1
  Al  Al592  1  0.489247  0.681026  0.632212  1
  Al  Al593  1  0.786291  0.185811  0.614221  1
  Al  Al594  1  0.022938  0.715863  0.513096  1
  Al  Al595  1  0.968915  0.979882  0.521292  1
  Al  Al596  1  0.737115  0.449710  0.622010  1
  Al  Al597  1  0.691477  0.964528  0.572925  1
  Al  Al598  1  0.450488  0.435837  0.673496  1
  Al  Al599  1  0.160570  0.928771  0.690717  1
  Al  Al600  1  0.393756  0.459216  0.590053  1
  Al  Al601  1  0.594634  0.221126  0.609336  1
  Al  Al602  1  0.829543  0.751172  0.508509  1
  Al  Al603  1  0.557560  0.236196  0.559543  1
  Al  Al604  1  0.320385  0.707783  0.659889  1
  Al  Al605  1  0.760770  0.230502  0.578551  1
  Al  Al606  1  0.524241  0.705003  0.677653  1
  Al  Al607  1  0.349731  0.895206  0.693192  1
  Al  Al608  1  0.588970  0.423842  0.595115  1
  Al  Al609  1  0.858939  0.939089  0.544071  1
  Al  Al610  1  0.626275  0.409753  0.644881  1
  Al  Al611  1  0.656070  0.944722  0.525134  1
  Al  Al612  1  0.421744  0.415439  0.625769  1
  Al  Al613  1  0.122571  0.082584  0.677856  1
  Al  Al614  1  0.358894  0.612583  0.579640  1
  Al  Al615  1  0.038718  0.112328  0.580425  1
  Al  Al616  1  0.792165  0.585013  0.678322  1
  Al  Al617  1  0.448147  0.101379  0.616433  1
  Al  Al618  1  0.682452  0.631419  0.515863  1
  Al  Al619  1  0.824721  0.032918  0.625207  1
  Al  Al620  1  0.060339  0.562352  0.524124  1
  Al  Al621  1  0.377055  0.062873  0.522913  1
  Al  Al622  1  0.139002  0.533002  0.622672  1
  Al  Al623  1  0.496292  0.013197  0.687151  1
  Al  Al624  1  0.734200  0.543379  0.586465  1
  Al  Al625  1  0.219451  0.131563  0.682993  1
  Al  Al626  1  0.456605  0.660354  0.585123  1
  Al  Al627  1  0.976735  0.150742  0.617996  1
  Al  Al628  1  0.213383  0.680586  0.517629  1
  Al  Al629  1  0.339473  0.154880  0.604126  1
  Al  Al630  1  0.574859  0.684691  0.503881  1
  Al  Al631  1  0.725075  0.984477  0.619742  1
  Al  Al632  1  0.960785  0.513938  0.519318  1
  Al  Al633  1  0.965896  0.964836  0.685452  1
  Al  Al634  1  0.202561  0.494263  0.585242  1
  Al  Al635  1  0.612418  0.959060  0.696389  1
  Al  Al636  1  0.843477  0.490186  0.599098  1
