# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.40536854
_cell_length_b   14.41609340
_cell_length_c   47.23235495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al252
_cell_volume   9332.84220987
_cell_formula_units_Z   252
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
  Al  Al1  1  0.875462  0.043148  0.329658  1
  Al  Al2  1  0.210195  0.707432  0.331383  1
  Al  Al3  1  0.246806  0.080456  0.307868  1
  Al  Al4  1  0.622883  0.121504  0.289716  1
  Al  Al5  1  0.953990  0.790102  0.289969  1
  Al  Al6  1  0.288247  0.457503  0.289404  1
  Al  Al7  1  0.541743  0.375663  0.331953  1
  Al  Al8  1  0.579643  0.746905  0.307921  1
  Al  Al9  1  0.912890  0.414461  0.307912  1
  Al  Al10  1  0.709627  0.208046  0.331327  1
  Al  Al11  1  0.039831  0.877210  0.331640  1
  Al  Al12  1  0.080094  0.247349  0.308268  1
  Al  Al13  1  0.453897  0.287707  0.288573  1
  Al  Al14  1  0.789553  0.956731  0.289941  1
  Al  Al15  1  0.123739  0.621875  0.289668  1
  Al  Al16  1  0.374186  0.543935  0.331041  1
  Al  Al17  1  0.413022  0.913775  0.307894  1
  Al  Al18  1  0.746245  0.580205  0.307552  1
  Al  Al19  1  0.891324  0.226961  0.316983  1
  Al  Al20  1  0.228750  0.895856  0.320605  1
  Al  Al21  1  0.267289  0.268988  0.298061  1
  Al  Al22  1  0.642010  0.306994  0.281502  1
  Al  Al23  1  0.855783  0.856776  0.341103  1
  Al  Al24  1  0.189802  0.523050  0.340872  1
  Al  Al25  1  0.561856  0.562501  0.320199  1
  Al  Al26  1  0.601309  0.934335  0.298066  1
  Al  Al27  1  0.935131  0.602489  0.298027  1
  Al  Al28  1  0.689122  0.023756  0.341009  1
  Al  Al29  1  0.139929  0.809351  0.282225  1
  Al  Al30  1  0.059579  0.058106  0.316877  1
  Al  Al31  1  0.434784  0.101049  0.298095  1
  Al  Al32  1  0.767045  0.768409  0.298107  1
  Al  Al33  1  0.100465  0.434692  0.298130  1
  Al  Al34  1  0.474853  0.474860  0.281393  1
  Al  Al35  1  0.390929  0.725565  0.316209  1
  Al  Al36  1  0.727988  0.396210  0.320155  1
  Al  Al37  1  0.758225  0.925943  0.392599  1
  Al  Al38  1  0.091815  0.592334  0.392623  1
  Al  Al39  1  0.130842  0.966319  0.371712  1
  Al  Al40  1  0.503194  1.003805  0.350352  1
  Al  Al41  1  0.836513  0.670550  0.350242  1
  Al  Al42  1  0.169841  0.337150  0.350464  1
  Al  Al43  1  0.424888  0.259139  0.392619  1
  Al  Al44  1  0.464282  0.633179  0.371516  1
  Al  Al45  1  0.799025  0.298423  0.371617  1
  Al  Al46  1  0.591652  0.092502  0.392567  1
  Al  Al47  1  0.925143  0.759251  0.392605  1
  Al  Al48  1  0.964872  0.132239  0.370930  1
  Al  Al49  1  0.336013  0.170330  0.350446  1
  Al  Al50  1  0.669843  0.837561  0.350284  1
  Al  Al51  1  0.003313  0.503786  0.350365  1
  Al  Al52  1  0.258354  0.425549  0.392584  1
  Al  Al53  1  0.298866  0.798426  0.371641  1
  Al  Al54  1  0.631574  0.465664  0.372002  1
  Al  Al55  1  0.779140  0.111856  0.382500  1
  Al  Al56  1  0.111802  0.779249  0.382332  1
  Al  Al57  1  0.149830  0.150444  0.360393  1
  Al  Al58  1  0.521927  0.190479  0.340836  1
  Al  Al59  1  0.738940  0.739787  0.402673  1
  Al  Al60  1  0.071806  0.405934  0.402524  1
  Al  Al61  1  0.444488  0.446254  0.382531  1
  Al  Al62  1  0.483068  0.817297  0.360251  1
  Al  Al63  1  0.817843  0.485243  0.361057  1
  Al  Al64  1  0.571797  0.905908  0.402456  1
  Al  Al65  1  0.022901  0.689664  0.341096  1
  Al  Al66  1  0.944214  0.946700  0.382589  1
  Al  Al67  1  0.317802  0.985087  0.361158  1
  Al  Al68  1  0.651103  0.652108  0.361041  1
  Al  Al69  1  0.983309  0.317349  0.360407  1
  Al  Al70  1  0.356320  0.356348  0.340747  1
  Al  Al71  1  0.278365  0.612304  0.383025  1
  Al  Al72  1  0.612213  0.278524  0.382588  1
  Al  Al73  1  0.640610  0.808153  0.454873  1
  Al  Al74  1  0.973971  0.474767  0.454897  1
  Al  Al75  1  0.013242  0.847477  0.434329  1
  Al  Al76  1  0.386118  0.886678  0.413185  1
  Al  Al77  1  0.719385  0.553580  0.413287  1
  Al  Al78  1  0.052452  0.219962  0.412956  1
  Al  Al79  1  0.307253  0.141470  0.454911  1
  Al  Al80  1  0.346606  0.513875  0.434579  1
  Al  Al81  1  0.680051  0.180566  0.434411  1
  Al  Al82  1  0.474006  0.974742  0.454899  1
  Al  Al83  1  0.807301  0.641528  0.454941  1
  Al  Al84  1  0.846509  0.014090  0.434508  1
  Al  Al85  1  0.219206  0.053529  0.413187  1
  Al  Al86  1  0.552579  0.720263  0.413146  1
  Al  Al87  1  0.886099  0.386725  0.413165  1
  Al  Al88  1  0.140481  0.308067  0.454829  1
  Al  Al89  1  0.179691  0.680903  0.434488  1
  Al  Al90  1  0.513252  0.347373  0.434388  1
  Al  Al91  1  0.660034  0.994273  0.444597  1
  Al  Al92  1  0.993538  0.661059  0.444683  1
  Al  Al93  1  0.032800  0.034168  0.423765  1
  Al  Al94  1  0.405599  0.072974  0.402749  1
  Al  Al95  1  0.620963  0.621927  0.465425  1
  Al  Al96  1  0.954370  0.288487  0.465383  1
  Al  Al97  1  0.326741  0.327529  0.444639  1
  Al  Al98  1  0.366481  0.700597  0.424006  1
  Al  Al99  1  0.699937  0.367015  0.423846  1
  Al  Al100  1  0.454447  0.788550  0.465471  1
  Al  Al101  1  0.905582  0.573085  0.402703  1
  Al  Al102  1  0.826903  0.827743  0.444672  1
  Al  Al103  1  0.199698  0.867195  0.423704  1
  Al  Al104  1  0.532845  0.534079  0.423822  1
  Al  Al105  1  0.866645  0.200324  0.423734  1
  Al  Al106  1  0.238380  0.239210  0.402546  1
  Al  Al107  1  0.160115  0.494219  0.444625  1
  Al  Al108  1  0.493570  0.161062  0.444692  1
  Al  Al109  1  0.522751  0.690247  0.517673  1
  Al  Al110  1  0.855977  0.357001  0.517597  1
  Al  Al111  1  0.895377  0.729593  0.496803  1
  Al  Al112  1  0.267968  0.768948  0.475989  1
  Al  Al113  1  0.601361  0.435538  0.475950  1
  Al  Al114  1  0.934688  0.102255  0.475995  1
  Al  Al115  1  0.189328  0.023639  0.517492  1
  Al  Al116  1  0.228663  0.396225  0.496757  1
  Al  Al117  1  0.562033  0.062925  0.496780  1
  Al  Al118  1  0.356095  0.856885  0.517571  1
  Al  Al119  1  0.689375  0.523578  0.517565  1
  Al  Al120  1  0.728687  0.896241  0.496756  1
  Al  Al121  1  0.101313  0.935587  0.475886  1
  Al  Al122  1  0.434735  0.602194  0.476068  1
  Al  Al123  1  0.768086  0.268832  0.475962  1
  Al  Al124  1  0.022702  0.190296  0.517610  1
  Al  Al125  1  0.062030  0.562909  0.496779  1
  Al  Al126  1  0.395401  0.229609  0.496803  1
  Al  Al127  1  0.542492  0.876563  0.507073  1
  Al  Al128  1  0.875802  0.543318  0.507068  1
  Al  Al129  1  0.915059  0.915837  0.486488  1
  Al  Al130  1  0.287679  0.955174  0.465366  1
  Al  Al131  1  0.503138  0.503864  0.528190  1
  Al  Al132  1  0.836317  0.170648  0.528139  1
  Al  Al133  1  0.209011  0.210090  0.507037  1
  Al  Al134  1  0.248268  0.582547  0.486517  1
  Al  Al135  1  0.581707  0.249229  0.486493  1
  Al  Al136  1  0.336384  0.670659  0.528193  1
  Al  Al137  1  0.787746  0.455185  0.465420  1
  Al  Al138  1  0.709005  0.709996  0.507071  1
  Al  Al139  1  0.081571  0.749270  0.486486  1
  Al  Al140  1  0.415052  0.415743  0.486522  1
  Al  Al141  1  0.748261  0.082515  0.486492  1
  Al  Al142  1  0.120926  0.121970  0.465370  1
  Al  Al143  1  0.042357  0.376605  0.507067  1
  Al  Al144  1  0.375795  0.043286  0.507043  1
  Al  Al145  1  0.404858  0.572304  0.580372  1
  Al  Al146  1  0.737964  0.239109  0.580394  1
  Al  Al147  1  0.777554  0.611743  0.559052  1
  Al  Al148  1  0.150057  0.651091  0.538660  1
  Al  Al149  1  0.483582  0.317766  0.538731  1
  Al  Al150  1  0.816762  0.984305  0.538618  1
  Al  Al151  1  0.071484  0.905570  0.580414  1
  Al  Al152  1  0.110811  0.278461  0.559171  1
  Al  Al153  1  0.444373  0.944930  0.559071  1
  Al  Al154  1  0.237945  0.739155  0.580375  1
  Al  Al155  1  0.571611  0.405872  0.580603  1
  Al  Al156  1  0.610821  0.778356  0.559231  1
  Al  Al157  1  0.983454  0.817681  0.538686  1
  Al  Al158  1  0.316811  0.484363  0.538648  1
  Al  Al159  1  0.650092  0.151067  0.538663  1
  Al  Al160  1  0.904678  0.072253  0.580273  1
  Al  Al161  1  0.944012  0.445267  0.559149  1
  Al  Al162  1  0.277457  0.111958  0.558981  1
  Al  Al163  1  0.424365  0.758639  0.569856  1
  Al  Al164  1  0.757418  0.425510  0.569825  1
  Al  Al165  1  0.797161  0.798090  0.548887  1
  Al  Al166  1  0.169616  0.837284  0.528088  1
  Al  Al167  1  0.385683  0.386623  0.591014  1
  Al  Al168  1  0.718482  0.052748  0.590857  1
  Al  Al169  1  0.091218  0.091755  0.569738  1
  Al  Al170  1  0.130493  0.464771  0.548868  1
  Al  Al171  1  0.463948  0.131614  0.548934  1
  Al  Al172  1  0.218464  0.552859  0.590810  1
  Al  Al173  1  0.669693  0.337346  0.528177  1
  Al  Al174  1  0.591263  0.591666  0.569794  1
  Al  Al175  1  0.964029  0.631560  0.548962  1
  Al  Al176  1  0.297322  0.298304  0.548921  1
  Al  Al177  1  0.630525  0.964774  0.548877  1
  Al  Al178  1  1.003100  1.003906  0.528135  1
  Al  Al179  1  0.924126  0.258819  0.569713  1
  Al  Al180  1  0.257582  0.925237  0.569554  1
  Al  Al181  1  0.288050  0.455503  0.643114  1
  Al  Al182  1  0.620750  0.122047  0.643194  1
  Al  Al183  1  0.659191  0.493594  0.622629  1
  Al  Al184  1  0.032411  0.533331  0.600993  1
  Al  Al185  1  0.365709  0.200285  0.600975  1
  Al  Al186  1  0.698921  0.866582  0.600955  1
  Al  Al187  1  0.954220  0.788273  0.643275  1
  Al  Al188  1  0.992489  0.160169  0.621557  1
  Al  Al189  1  0.325197  0.827408  0.621918  1
  Al  Al190  1  0.120869  0.622028  0.643207  1
  Al  Al191  1  0.454222  0.288684  0.643095  1
  Al  Al192  1  0.493221  0.659515  0.621847  1
  Al  Al193  1  0.865838  0.699891  0.600961  1
  Al  Al194  1  0.199176  0.366694  0.600941  1
  Al  Al195  1  0.532249  0.033499  0.600936  1
  Al  Al196  1  0.787550  0.955284  0.643318  1
  Al  Al197  1  0.825038  0.327411  0.621943  1
  Al  Al198  1  0.159782  0.992654  0.622044  1
  Al  Al199  1  0.306262  0.640746  0.632401  1
  Al  Al200  1  0.640754  0.308484  0.633152  1
  Al  Al201  1  0.679849  0.679134  0.610970  1
  Al  Al202  1  0.052266  0.719926  0.591104  1
  Al  Al203  1  0.267743  0.269486  0.652812  1
  Al  Al204  1  0.601162  0.936169  0.652463  1
  Al  Al205  1  0.972960  0.973725  0.632518  1
  Al  Al206  1  0.011851  0.347309  0.610971  1
  Al  Al207  1  0.345699  0.013529  0.610534  1
  Al  Al208  1  0.102136  0.435354  0.652724  1
  Al  Al209  1  0.552257  0.219899  0.591036  1
  Al  Al210  1  0.474234  0.475389  0.633167  1
  Al  Al211  1  0.844923  0.513977  0.611060  1
  Al  Al212  1  0.179575  0.179579  0.611029  1
  Al  Al213  1  0.512261  0.846584  0.611227  1
  Al  Al214  1  0.885123  0.886046  0.590886  1
  Al  Al215  1  0.806220  0.140591  0.632503  1
  Al  Al216  1  0.140995  0.808537  0.633309  1
  Al  Al217  1  0.170167  0.338126  0.704986  1
  Al  Al218  1  0.500324  1.003958  0.703891  1
  Al  Al219  1  0.543969  0.378484  0.685292  1
  Al  Al220  1  0.914436  0.417787  0.662233  1
  Al  Al221  1  0.249877  0.081898  0.662518  1
  Al  Al222  1  0.584232  0.748623  0.661919  1
  Al  Al223  1  0.834510  0.669102  0.703618  1
  Al  Al224  1  0.877818  0.045628  0.686008  1
  Al  Al225  1  0.211041  0.712058  0.685666  1
  Al  Al226  1  1.001180  0.504330  0.703843  1
  Al  Al227  1  0.335817  0.168331  0.704155  1
  Al  Al228  1  0.377257  0.545377  0.685691  1
  Al  Al229  1  0.748601  0.582685  0.663901  1
  Al  Al230  1  0.082320  0.250170  0.661606  1
  Al  Al231  1  0.413868  0.918401  0.662176  1
  Al  Al232  1  0.670073  0.835731  0.703590  1
  Al  Al233  1  0.711173  0.211372  0.685648  1
  Al  Al234  1  0.044420  0.878928  0.685638  1
  Al  Al235  1  0.189279  0.524785  0.695464  1
  Al  Al236  1  0.523599  0.191141  0.695430  1
  Al  Al237  1  0.564484  0.567728  0.676682  1
  Al  Al238  1  0.934942  0.602078  0.652551  1
  Al  Al239  1  0.149210  0.150973  0.712166  1
  Al  Al240  1  0.484134  0.816482  0.711334  1
  Al  Al241  1  0.857018  0.857424  0.695453  1
  Al  Al242  1  0.896075  0.229623  0.673405  1
  Al  Al243  1  0.233134  0.900268  0.677350  1
  Al  Al244  1  0.982053  0.318840  0.712057  1
  Al  Al245  1  0.434262  0.102784  0.652687  1
  Al  Al246  1  0.356775  0.356845  0.695498  1
  Al  Al247  1  0.732739  0.398873  0.676576  1
  Al  Al248  1  0.062207  0.063332  0.673360  1
  Al  Al249  1  0.395313  0.729977  0.672954  1
  Al  Al250  1  0.768280  0.769057  0.652456  1
  Al  Al251  1  0.688932  0.023344  0.695533  1
  Al  Al252  1  0.022754  0.691499  0.695493  1
