# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65944714
_cell_length_b   12.66426015
_cell_length_c   47.61382148
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7595.30466938
_cell_formula_units_Z   216
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  0.917062  0.250752  0.355249  1
  Al  Al2  1  0.338481  0.006987  0.283415  1
  Al  Al3  1  0.310209  0.309376  0.305633  1
  Al  Al4  1  0.673344  0.672127  0.283415  1
  Al  Al5  1  0.640904  0.974607  0.305188  1
  Al  Al6  1  0.615579  0.281763  0.331555  1
  Al  Al7  1  0.975676  0.643908  0.305633  1
  Al  Al8  1  0.948089  0.949245  0.331556  1
  Al  Al9  1  0.279917  0.613589  0.331527  1
  Al  Al10  1  0.139282  0.472987  0.304109  1
  Al  Al11  1  0.474177  0.142099  0.305111  1
  Al  Al12  1  0.447893  0.448154  0.331797  1
  Al  Al13  1  0.808397  0.807884  0.305112  1
  Al  Al14  1  0.780675  0.114346  0.331817  1
  Al  Al15  1  0.840720  0.507054  0.284122  1
  Al  Al16  1  0.114484  0.781563  0.331797  1
  Al  Al17  1  0.173407  0.174355  0.284120  1
  Al  Al18  1  0.505929  0.839574  0.283264  1
  Al  Al19  1  0.948860  0.445653  0.331048  1
  Al  Al20  1  0.281432  0.114415  0.331994  1
  Al  Al21  1  0.340918  0.507343  0.283466  1
  Al  Al22  1  0.614308  0.781100  0.331705  1
  Al  Al23  1  0.671105  0.171580  0.283683  1
  Al  Al24  1  0.641112  0.475657  0.305214  1
  Al  Al25  1  0.006062  0.840070  0.283362  1
  Al  Al26  1  0.974939  0.144448  0.304987  1
  Al  Al27  1  0.308721  0.808969  0.305200  1
  Al  Al28  1  0.111960  0.282541  0.331040  1
  Al  Al29  1  0.447426  0.947980  0.331705  1
  Al  Al30  1  0.506421  0.339710  0.283362  1
  Al  Al31  1  0.780741  0.615106  0.331994  1
  Al  Al32  1  0.837927  1.004755  0.283682  1
  Al  Al33  1  0.810784  0.308637  0.304986  1
  Al  Al34  1  0.173692  0.674560  0.283465  1
  Al  Al35  1  0.141962  0.974807  0.305216  1
  Al  Al36  1  0.475272  0.642421  0.305201  1
  Al  Al37  1  0.826422  0.160116  0.433175  1
  Al  Al38  1  0.251079  0.918077  0.354775  1
  Al  Al39  1  0.220211  0.222258  0.380997  1
  Al  Al40  1  0.584385  0.584770  0.354775  1
  Al  Al41  1  0.554460  0.888143  0.381462  1
  Al  Al42  1  0.523511  0.190472  0.406840  1
  Al  Al43  1  0.888572  0.553898  0.381001  1
  Al  Al44  1  0.856775  0.857207  0.406840  1
  Al  Al45  1  0.190105  0.523801  0.406831  1
  Al  Al46  1  0.054522  0.388202  0.381566  1
  Al  Al47  1  0.387799  0.055019  0.381575  1
  Al  Al48  1  0.356531  0.357035  0.406703  1
  Al  Al49  1  0.721336  0.721481  0.381575  1
  Al  Al50  1  0.690135  0.023832  0.406735  1
  Al  Al51  1  0.751038  0.418286  0.354714  1
  Al  Al52  1  0.023340  0.690228  0.406704  1
  Al  Al53  1  0.084594  0.084732  0.354714  1
  Al  Al54  1  0.417334  0.751027  0.354693  1
  Al  Al55  1  0.856820  0.357308  0.406782  1
  Al  Al56  1  0.190058  0.024118  0.406765  1
  Al  Al57  1  0.250698  0.418364  0.354644  1
  Al  Al58  1  0.523436  0.690438  0.406815  1
  Al  Al59  1  0.584299  0.085080  0.354585  1
  Al  Al60  1  0.554581  0.388070  0.381473  1
  Al  Al61  1  0.917856  0.751967  0.354763  1
  Al  Al62  1  0.887907  0.054693  0.381472  1
  Al  Al63  1  0.221050  0.721290  0.381468  1
  Al  Al64  1  0.023614  0.190515  0.406783  1
  Al  Al65  1  0.356743  0.857132  0.406815  1
  Al  Al66  1  0.418277  0.251550  0.354763  1
  Al  Al67  1  0.690422  0.523753  0.406765  1
  Al  Al68  1  0.751384  0.917995  0.354586  1
  Al  Al69  1  0.721009  0.221588  0.381471  1
  Al  Al70  1  0.084672  0.584394  0.354645  1
  Al  Al71  1  0.054389  0.888264  0.381474  1
  Al  Al72  1  0.387608  0.554731  0.381468  1
  Al  Al73  1  0.735081  0.068789  0.510878  1
  Al  Al74  1  0.159596  0.826746  0.433182  1
  Al  Al75  1  0.129096  0.129552  0.458937  1
  Al  Al76  1  0.493053  0.493289  0.433182  1
  Al  Al77  1  0.462457  0.796158  0.458942  1
  Al  Al78  1  0.432034  0.099277  0.485026  1
  Al  Al79  1  0.795851  0.462797  0.458937  1
  Al  Al80  1  0.765574  0.765736  0.485026  1
  Al  Al81  1  0.098790  0.432491  0.485045  1
  Al  Al82  1  0.962456  0.296157  0.458894  1
  Al  Al83  1  0.295708  0.962880  0.458909  1
  Al  Al84  1  0.265447  0.265898  0.485075  1
  Al  Al85  1  0.629178  0.629409  0.458909  1
  Al  Al86  1  0.598864  0.932567  0.485098  1
  Al  Al87  1  0.659820  0.326735  0.433214  1
  Al  Al88  1  0.932197  0.599148  0.485075  1
  Al  Al89  1  0.993042  0.993513  0.433214  1
  Al  Al90  1  0.326362  0.660055  0.433236  1
  Al  Al91  1  0.765555  0.265802  0.485056  1
  Al  Al92  1  0.098746  0.932537  0.485040  1
  Al  Al93  1  0.159703  0.326675  0.433173  1
  Al  Al94  1  0.432164  0.599114  0.485036  1
  Al  Al95  1  0.493070  0.993423  0.433258  1
  Al  Al96  1  0.462390  0.296143  0.458905  1
  Al  Al97  1  0.826603  0.659725  0.433101  1
  Al  Al98  1  0.795775  0.962885  0.458940  1
  Al  Al99  1  0.129065  0.629487  0.458923  1
  Al  Al100  1  0.932100  0.099257  0.485056  1
  Al  Al101  1  0.265412  0.765866  0.485036  1
  Al  Al102  1  0.326030  0.160298  0.433099  1
  Al  Al103  1  0.598835  0.432448  0.485040  1
  Al  Al104  1  0.659728  0.826764  0.433258  1
  Al  Al105  1  0.629184  0.129478  0.458940  1
  Al  Al106  1  0.992981  0.493395  0.433173  1
  Al  Al107  1  0.962442  0.796092  0.458905  1
  Al  Al108  1  0.295786  0.462766  0.458923  1
  Al  Al109  1  0.643957  0.977672  0.589038  1
  Al  Al110  1  0.068357  0.735369  0.510851  1
  Al  Al111  1  0.037874  0.038551  0.536914  1
  Al  Al112  1  0.401660  0.402065  0.510851  1
  Al  Al113  1  0.371310  0.705020  0.536856  1
  Al  Al114  1  0.340820  0.008000  0.562660  1
  Al  Al115  1  0.704840  0.371585  0.536915  1
  Al  Al116  1  0.674283  0.674536  0.562660  1
  Al  Al117  1  0.007470  0.341187  0.562786  1
  Al  Al118  1  0.871432  0.205142  0.537030  1
  Al  Al119  1  0.204596  0.871817  0.536904  1
  Al  Al120  1  0.174050  0.174626  0.562706  1
  Al  Al121  1  0.538107  0.538305  0.536904  1
  Al  Al122  1  0.507531  0.841249  0.562579  1
  Al  Al123  1  0.568322  0.235402  0.510830  1
  Al  Al124  1  0.840908  0.507767  0.562707  1
  Al  Al125  1  0.901693  0.902031  0.510830  1
  Al  Al126  1  0.234967  0.568676  0.510831  1
  Al  Al127  1  0.674159  0.174694  0.562738  1
  Al  Al128  1  0.007488  0.841132  0.562705  1
  Al  Al129  1  0.068309  0.235466  0.510852  1
  Al  Al130  1  0.340671  0.507831  0.562710  1
  Al  Al131  1  0.401650  0.902133  0.510801  1
  Al  Al132  1  0.371335  0.205173  0.536985  1
  Al  Al133  1  0.735082  0.568675  0.510830  1
  Al  Al134  1  0.704870  0.871761  0.536966  1
  Al  Al135  1  0.038098  0.538342  0.537017  1
  Al  Al136  1  0.840978  0.007876  0.562738  1
  Al  Al137  1  0.174115  0.674388  0.562710  1
  Al  Al138  1  0.234967  0.068791  0.510830  1
  Al  Al139  1  0.507415  0.341205  0.562705  1
  Al  Al140  1  0.568424  0.735359  0.510802  1
  Al  Al141  1  0.538051  0.038579  0.536965  1
  Al  Al142  1  0.901757  0.402018  0.510853  1
  Al  Al143  1  0.871464  0.705044  0.536985  1
  Al  Al144  1  0.204633  0.371807  0.537017  1
  Al  Al145  1  0.552286  0.886017  0.665119  1
  Al  Al146  1  0.977166  0.643977  0.589157  1
  Al  Al147  1  0.946313  0.946391  0.614609  1
  Al  Al148  1  0.310262  0.310880  0.589158  1
  Al  Al149  1  0.279165  0.612893  0.614578  1
  Al  Al150  1  0.247903  0.917539  0.640362  1
  Al  Al151  1  0.612662  0.280040  0.614608  1
  Al  Al152  1  0.583816  0.581627  0.640365  1
  Al  Al153  1  0.915886  0.249604  0.641424  1
  Al  Al154  1  0.779505  0.113234  0.614488  1
  Al  Al155  1  0.112590  0.779525  0.614485  1
  Al  Al156  1  0.082461  0.083309  0.641441  1
  Al  Al157  1  0.445796  0.446318  0.614485  1
  Al  Al158  1  0.415807  0.749522  0.640629  1
  Al  Al159  1  0.477124  0.144422  0.589149  1
  Al  Al160  1  0.749590  0.416180  0.641441  1
  Al  Al161  1  0.810709  0.810840  0.589149  1
  Al  Al162  1  0.143655  0.477369  0.589282  1
  Al  Al163  1  0.583061  0.083110  0.641291  1
  Al  Al164  1  0.916342  0.749830  0.641405  1
  Al  Al165  1  0.977077  0.144196  0.589213  1
  Al  Al166  1  0.249488  0.416036  0.641509  1
  Al  Al167  1  0.310174  0.810742  0.588835  1
  Al  Al168  1  0.279405  0.113564  0.614460  1
  Al  Al169  1  0.644103  0.476909  0.588889  1
  Al  Al170  1  0.612944  0.780154  0.614407  1
  Al  Al171  1  0.945967  0.446421  0.614610  1
  Al  Al172  1  0.749391  0.916778  0.641290  1
  Al  Al173  1  0.082318  0.583205  0.641509  1
  Al  Al174  1  0.143192  0.977820  0.588888  1
  Al  Al175  1  0.416113  0.250058  0.641406  1
  Al  Al176  1  0.477026  0.643889  0.588836  1
  Al  Al177  1  0.446428  0.946669  0.614408  1
  Al  Al178  1  0.810480  0.310792  0.589213  1
  Al  Al179  1  0.779836  0.613134  0.614460  1
  Al  Al180  1  0.112693  0.279696  0.614610  1
  Al  Al181  1  0.463297  0.797070  0.734536  1
  Al  Al182  1  0.885719  0.553659  0.664608  1
  Al  Al183  1  0.858882  0.858802  0.691062  1
  Al  Al184  1  0.219922  0.219456  0.664608  1
  Al  Al185  1  0.190857  0.524570  0.690984  1
  Al  Al186  1  0.165737  0.828810  0.713822  1
  Al  Al187  1  0.525090  0.192588  0.691064  1
  Al  Al188  1  0.495047  0.499483  0.713820  1
  Al  Al189  1  0.827380  0.161143  0.712774  1
  Al  Al190  1  0.690711  0.024427  0.691478  1
  Al  Al191  1  0.025159  0.693107  0.691628  1
  Al  Al192  1  0.995059  0.994318  0.712844  1
  Al  Al193  1  0.359395  0.358872  0.691628  1
  Al  Al194  1  0.326420  0.660183  0.712941  1
  Al  Al195  1  0.386582  0.053018  0.664499  1
  Al  Al196  1  0.660557  0.328823  0.712844  1
  Al  Al197  1  0.719282  0.720319  0.664500  1
  Al  Al198  1  0.052385  0.386124  0.664452  1
  Al  Al199  1  0.493117  0.995431  0.713305  1
  Al  Al200  1  0.824682  0.661003  0.713278  1
  Al  Al201  1  0.885672  0.052885  0.664487  1
  Al  Al202  1  0.160633  0.327015  0.712886  1
  Al  Al203  1  0.219263  0.719870  0.664672  1
  Al  Al204  1  0.192656  0.024785  0.691078  1
  Al  Al205  1  0.552283  0.387266  0.664702  1
  Al  Al206  1  0.525991  0.689318  0.688793  1
  Al  Al207  1  0.858313  0.358936  0.691071  1
  Al  Al208  1  0.661705  0.826897  0.713305  1
  Al  Al209  1  0.993251  0.494395  0.712886  1
  Al  Al210  1  0.053533  0.886022  0.664703  1
  Al  Al211  1  0.327242  0.158449  0.713277  1
  Al  Al212  1  0.386134  0.553003  0.664672  1
  Al  Al213  1  0.355589  0.859703  0.688784  1
  Al  Al214  1  0.719146  0.219414  0.664487  1
  Al  Al215  1  0.691073  0.526365  0.691077  1
  Al  Al216  1  0.025226  0.192023  0.691071  1
