# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.40897990
_cell_length_b   14.42218602
_cell_length_c   47.21478915
_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   9335.65396905
_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  0.884246  0.218323  0.319720  1
  Al  Al2  1  0.221174  0.889129  0.323465  1
  Al  Al3  1  0.260418  0.260610  0.301644  1
  Al  Al4  1  0.637395  0.298943  0.284916  1
  Al  Al5  1  0.965509  0.970792  0.284899  1
  Al  Al6  1  0.301746  0.635186  0.284078  1
  Al  Al7  1  0.555085  0.555218  0.323467  1
  Al  Al8  1  0.593342  0.927176  0.301726  1
  Al  Al9  1  0.926778  0.594244  0.301644  1
  Al  Al10  1  0.682678  0.016511  0.344391  1
  Al  Al11  1  0.133378  0.803041  0.284125  1
  Al  Al12  1  0.054864  0.055798  0.323841  1
  Al  Al13  1  0.428051  0.094077  0.301627  1
  Al  Al14  1  0.760238  0.761859  0.301626  1
  Al  Al15  1  0.093760  0.427583  0.301587  1
  Al  Al16  1  0.469614  0.466823  0.284126  1
  Al  Al17  1  0.388300  0.722343  0.323544  1
  Al  Al18  1  0.721775  0.388885  0.323846  1
  Al  Al19  1  0.866998  0.037102  0.334780  1
  Al  Al20  1  0.202226  0.702818  0.334895  1
  Al  Al21  1  0.239213  0.073075  0.311196  1
  Al  Al22  1  0.616715  0.114494  0.293025  1
  Al  Al23  1  0.947125  0.781454  0.291826  1
  Al  Al24  1  0.281258  0.447934  0.291565  1
  Al  Al25  1  0.535111  0.369260  0.335182  1
  Al  Al26  1  0.572528  0.739548  0.311250  1
  Al  Al27  1  0.906093  0.406745  0.311524  1
  Al  Al28  1  0.703205  0.200860  0.334846  1
  Al  Al29  1  0.035463  0.868911  0.335175  1
  Al  Al30  1  0.072810  0.240008  0.311527  1
  Al  Al31  1  0.447779  0.280825  0.291829  1
  Al  Al32  1  0.780798  0.950337  0.293008  1
  Al  Al33  1  0.114237  0.614946  0.291564  1
  Al  Al34  1  0.369040  0.536004  0.334897  1
  Al  Al35  1  0.405625  0.906453  0.311249  1
  Al  Al36  1  0.739147  0.573121  0.311199  1
  Al  Al37  1  0.771601  0.105486  0.386610  1
  Al  Al38  1  0.104968  0.772064  0.386238  1
  Al  Al39  1  0.144225  0.145225  0.364702  1
  Al  Al40  1  0.515362  0.183956  0.344211  1
  Al  Al41  1  0.850103  0.849234  0.344206  1
  Al  Al42  1  0.183070  0.516920  0.343764  1
  Al  Al43  1  0.438143  0.438884  0.386242  1
  Al  Al44  1  0.477979  0.811925  0.364648  1
  Al  Al45  1  0.811286  0.478173  0.364702  1
  Al  Al46  1  0.565660  0.899630  0.406343  1
  Al  Al47  1  0.016529  0.683080  0.343865  1
  Al  Al48  1  0.937936  0.939307  0.386031  1
  Al  Al49  1  0.311054  0.978518  0.364633  1
  Al  Al50  1  0.644572  0.645003  0.364634  1
  Al  Al51  1  0.976364  0.310319  0.363881  1
  Al  Al52  1  0.349218  0.350378  0.343867  1
  Al  Al53  1  0.271613  0.605527  0.386154  1
  Al  Al54  1  0.605370  0.271871  0.386055  1
  Al  Al55  1  0.751865  0.918819  0.396062  1
  Al  Al56  1  0.085084  0.585434  0.395931  1
  Al  Al57  1  0.124743  0.959018  0.375571  1
  Al  Al58  1  0.496480  0.997238  0.353913  1
  Al  Al59  1  0.829778  0.663415  0.353957  1
  Al  Al60  1  0.162898  0.330447  0.354015  1
  Al  Al61  1  0.418145  0.252485  0.396021  1
  Al  Al62  1  0.458429  0.625597  0.375514  1
  Al  Al63  1  0.792363  0.291493  0.375174  1
  Al  Al64  1  0.584892  0.085797  0.396060  1
  Al  Al65  1  0.918549  0.752088  0.396018  1
  Al  Al66  1  0.957497  0.126344  0.375160  1
  Al  Al67  1  0.329512  0.163666  0.353958  1
  Al  Al68  1  0.663347  0.830375  0.353913  1
  Al  Al69  1  0.996560  0.496804  0.354014  1
  Al  Al70  1  0.251489  0.419020  0.395932  1
  Al  Al71  1  0.291622  0.792402  0.375513  1
  Al  Al72  1  0.625046  0.458719  0.375574  1
  Al  Al73  1  0.653615  0.987624  0.448228  1
  Al  Al74  1  0.987009  0.654231  0.448209  1
  Al  Al75  1  0.026140  0.027262  0.427435  1
  Al  Al76  1  0.398900  0.066252  0.406354  1
  Al  Al77  1  0.732285  0.732868  0.406353  1
  Al  Al78  1  0.065091  0.399062  0.406119  1
  Al  Al79  1  0.320220  0.321019  0.448211  1
  Al  Al80  1  0.359728  0.693732  0.427573  1
  Al  Al81  1  0.693258  0.360154  0.427443  1
  Al  Al82  1  0.447733  0.781773  0.469160  1
  Al  Al83  1  0.898971  0.566156  0.406361  1
  Al  Al84  1  0.820323  0.820856  0.448232  1
  Al  Al85  1  0.193047  0.860407  0.427590  1
  Al  Al86  1  0.526402  0.527051  0.427591  1
  Al  Al87  1  0.859787  0.193787  0.427623  1
  Al  Al88  1  0.232187  0.232936  0.406362  1
  Al  Al89  1  0.153451  0.487463  0.448114  1
  Al  Al90  1  0.486848  0.154329  0.448232  1
  Al  Al91  1  0.634010  0.801424  0.458606  1
  Al  Al92  1  0.967359  0.468001  0.458535  1
  Al  Al93  1  0.006498  0.840615  0.438009  1
  Al  Al94  1  0.379447  0.880106  0.416936  1
  Al  Al95  1  0.712770  0.546700  0.416935  1
  Al  Al96  1  0.045873  0.213448  0.416807  1
  Al  Al97  1  0.300697  0.134724  0.458600  1
  Al  Al98  1  0.339811  0.507216  0.438069  1
  Al  Al99  1  0.673082  0.173984  0.438142  1
  Al  Al100  1  0.467394  0.968039  0.458607  1
  Al  Al101  1  0.800698  0.634726  0.458599  1
  Al  Al102  1  0.840005  0.007061  0.438140  1
  Al  Al103  1  0.212705  0.046762  0.416935  1
  Al  Al104  1  0.546112  0.713442  0.416937  1
  Al  Al105  1  0.879454  0.379874  0.416812  1
  Al  Al106  1  0.133971  0.301386  0.458534  1
  Al  Al107  1  0.173226  0.673805  0.438067  1
  Al  Al108  1  0.506618  0.340493  0.438018  1
  Al  Al109  1  0.535733  0.869819  0.510808  1
  Al  Al110  1  0.869085  0.536577  0.510720  1
  Al  Al111  1  0.908408  0.909018  0.490152  1
  Al  Al112  1  0.281116  0.948425  0.469137  1
  Al  Al113  1  0.614383  0.615157  0.469136  1
  Al  Al114  1  0.947771  0.281811  0.469110  1
  Al  Al115  1  0.202493  0.203167  0.510720  1
  Al  Al116  1  0.241676  0.575731  0.490129  1
  Al  Al117  1  0.574966  0.242458  0.490153  1
  Al  Al118  1  0.329789  0.663891  0.531881  1
  Al  Al119  1  0.781077  0.448395  0.469071  1
  Al  Al120  1  0.702369  0.703327  0.510765  1
  Al  Al121  1  0.075046  0.742479  0.490136  1
  Al  Al122  1  0.408423  0.409102  0.490141  1
  Al  Al123  1  0.741697  0.075747  0.490154  1
  Al  Al124  1  0.114350  0.115117  0.469069  1
  Al  Al125  1  0.035818  0.369898  0.510710  1
  Al  Al126  1  0.369240  0.036456  0.510769  1
  Al  Al127  1  0.516086  0.683504  0.521365  1
  Al  Al128  1  0.849393  0.350195  0.521250  1
  Al  Al129  1  0.888793  0.722854  0.500382  1
  Al  Al130  1  0.261387  0.762097  0.479702  1
  Al  Al131  1  0.594740  0.428730  0.479630  1
  Al  Al132  1  0.928078  0.095408  0.479670  1
  Al  Al133  1  0.182828  0.016746  0.521251  1
  Al  Al134  1  0.222112  0.389529  0.500339  1
  Al  Al135  1  0.555422  0.056155  0.500379  1
  Al  Al136  1  0.349416  0.850173  0.521364  1
  Al  Al137  1  0.682653  0.516920  0.521250  1
  Al  Al138  1  0.722080  0.889498  0.500379  1
  Al  Al139  1  0.094677  0.928792  0.479626  1
  Al  Al140  1  0.428048  0.595436  0.479703  1
  Al  Al141  1  0.761361  0.262124  0.479671  1
  Al  Al142  1  0.016106  0.183482  0.521251  1
  Al  Al143  1  0.055454  0.556188  0.500338  1
  Al  Al144  1  0.388780  0.222867  0.500383  1
  Al  Al145  1  0.417748  0.751880  0.573579  1
  Al  Al146  1  0.750778  0.418721  0.573333  1
  Al  Al147  1  0.790639  0.791523  0.552504  1
  Al  Al148  1  0.163116  0.830601  0.531881  1
  Al  Al149  1  0.496502  0.497217  0.531884  1
  Al  Al150  1  0.829752  0.163852  0.531814  1
  Al  Al151  1  0.084587  0.084922  0.573338  1
  Al  Al152  1  0.124033  0.458174  0.552427  1
  Al  Al153  1  0.457381  0.124783  0.552507  1
  Al  Al154  1  0.212265  0.546451  0.594557  1
  Al  Al155  1  0.663006  0.330560  0.531803  1
  Al  Al156  1  0.584465  0.585181  0.573611  1
  Al  Al157  1  0.957311  0.624845  0.552451  1
  Al  Al158  1  0.290706  0.291451  0.552451  1
  Al  Al159  1  0.623822  0.957967  0.552462  1
  Al  Al160  1  0.996460  0.997110  0.531804  1
  Al  Al161  1  0.917712  0.251847  0.573405  1
  Al  Al162  1  0.251051  0.918593  0.573607  1
  Al  Al163  1  0.398298  0.565732  0.584143  1
  Al  Al164  1  0.731323  0.232311  0.583983  1
  Al  Al165  1  0.770535  0.605307  0.562757  1
  Al  Al166  1  0.143553  0.644392  0.542309  1
  Al  Al167  1  0.476923  0.310992  0.542354  1
  Al  Al168  1  0.810145  0.977574  0.542302  1
  Al  Al169  1  0.064879  0.899123  0.584180  1
  Al  Al170  1  0.104246  0.271594  0.562746  1
  Al  Al171  1  0.437476  0.938211  0.562966  1
  Al  Al172  1  0.231575  0.732454  0.584142  1
  Al  Al173  1  0.564972  0.399033  0.584185  1
  Al  Al174  1  0.604075  0.771614  0.562965  1
  Al  Al175  1  0.976878  0.811035  0.542351  1
  Al  Al176  1  0.310276  0.477669  0.542310  1
  Al  Al177  1  0.643458  0.144260  0.542302  1
  Al  Al178  1  0.898154  0.065484  0.583985  1
  Al  Al179  1  0.937467  0.438370  0.562744  1
  Al  Al180  1  0.271164  0.104679  0.562765  1
  Al  Al181  1  0.300844  0.635071  0.636550  1
  Al  Al182  1  0.634339  0.301715  0.636766  1
  Al  Al183  1  0.672088  0.673129  0.615071  1
  Al  Al184  1  0.045501  0.713146  0.594599  1
  Al  Al185  1  0.378967  0.379688  0.594600  1
  Al  Al186  1  0.711729  0.045918  0.594501  1
  Al  Al187  1  0.967486  0.968548  0.636757  1
  Al  Al188  1  0.005696  0.339828  0.614651  1
  Al  Al189  1  0.338950  0.006263  0.615074  1
  Al  Al190  1  0.095070  0.429366  0.655806  1
  Al  Al191  1  0.545637  0.213046  0.594698  1
  Al  Al192  1  0.467488  0.468281  0.636576  1
  Al  Al193  1  0.838129  0.507498  0.614429  1
  Al  Al194  1  0.173302  0.172332  0.614453  1
  Al  Al195  1  0.505520  0.839692  0.615058  1
  Al  Al196  1  0.878860  0.879817  0.594694  1
  Al  Al197  1  0.799529  0.133765  0.636002  1
  Al  Al198  1  0.134053  0.801712  0.636574  1
  Al  Al199  1  0.281093  0.448718  0.646645  1
  Al  Al200  1  0.614045  0.115228  0.646896  1
  Al  Al201  1  0.652745  0.486721  0.626042  1
  Al  Al202  1  0.025726  0.526640  0.604340  1
  Al  Al203  1  0.359108  0.193225  0.604400  1
  Al  Al204  1  0.692300  0.859732  0.604440  1
  Al  Al205  1  0.947565  0.781824  0.646752  1
  Al  Al206  1  0.986541  0.152750  0.625391  1
  Al  Al207  1  0.319348  0.820220  0.625894  1
  Al  Al208  1  0.114461  0.615345  0.646643  1
  Al  Al209  1  0.447567  0.281828  0.646754  1
  Al  Al210  1  0.486048  0.653521  0.625895  1
  Al  Al211  1  0.859003  0.693327  0.604397  1
  Al  Al212  1  0.192439  0.359943  0.604339  1
  Al  Al213  1  0.525507  0.026519  0.604440  1
  Al  Al214  1  0.780969  0.948315  0.646894  1
  Al  Al215  1  0.818567  0.320713  0.625384  1
  Al  Al216  1  0.152557  0.986906  0.626034  1
  Al  Al217  1  0.182199  0.516594  0.699019  1
  Al  Al218  1  0.516352  0.184136  0.699031  1
  Al  Al219  1  0.558284  0.558777  0.679327  1
  Al  Al220  1  0.928582  0.595744  0.655817  1
  Al  Al221  1  0.261413  0.262917  0.655824  1
  Al  Al222  1  0.594984  0.929322  0.655649  1
  Al  Al223  1  0.849750  0.850732  0.699029  1
  Al  Al224  1  0.888949  0.223143  0.676486  1
  Al  Al225  1  0.224584  0.892476  0.679325  1
  Al  Al226  1  0.976530  0.311307  0.714749  1
  Al  Al227  1  0.427885  0.096208  0.655732  1
  Al  Al228  1  0.350307  0.350646  0.698953  1
  Al  Al229  1  0.726968  0.392117  0.680202  1
  Al  Al230  1  0.057923  0.061084  0.680175  1
  Al  Al231  1  0.391455  0.725651  0.679306  1
  Al  Al232  1  0.761873  0.762228  0.655731  1
  Al  Al233  1  0.683284  0.017663  0.699002  1
  Al  Al234  1  0.016251  0.684664  0.698950  1
  Al  Al235  1  0.163198  0.329066  0.707061  1
  Al  Al236  1  0.495746  0.997097  0.706518  1
  Al  Al237  1  0.537571  0.371359  0.688895  1
  Al  Al238  1  0.907920  0.411672  0.665372  1
  Al  Al239  1  0.241747  0.076692  0.667222  1
  Al  Al240  1  0.575765  0.742989  0.667115  1
  Al  Al241  1  0.828671  0.662819  0.706794  1
  Al  Al242  1  0.870822  0.038797  0.689260  1
  Al  Al243  1  0.203640  0.704419  0.688911  1
  Al  Al244  1  0.994423  0.497749  0.707042  1
  Al  Al245  1  0.328204  0.163295  0.706797  1
  Al  Al246  1  0.370146  0.537917  0.688912  1
  Al  Al247  1  0.742566  0.575881  0.667218  1
  Al  Al248  1  0.077458  0.242091  0.665441  1
  Al  Al249  1  0.408883  0.909869  0.667116  1
  Al  Al250  1  0.662470  0.830367  0.706518  1
  Al  Al251  1  0.704526  0.205091  0.689265  1
  Al  Al252  1  0.037081  0.871818  0.688893  1
