# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71252569
_cell_length_b   12.71747547
_cell_length_c   47.86483894
_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   7699.57850635
_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  0.139090  0.472575  0.301765  1
  Al  Al2  1  0.473955  0.141636  0.302813  1
  Al  Al3  1  0.445785  0.445813  0.329092  1
  Al  Al4  1  0.808161  0.807428  0.302814  1
  Al  Al5  1  0.778529  0.111990  0.329113  1
  Al  Al6  1  0.841781  0.502774  0.278308  1
  Al  Al7  1  0.112354  0.779245  0.329093  1
  Al  Al8  1  0.169348  0.175182  0.278306  1
  Al  Al9  1  0.505061  0.838481  0.277845  1
  Al  Al10  1  0.915397  0.248867  0.353777  1
  Al  Al11  1  0.337036  0.006614  0.277935  1
  Al  Al12  1  0.307895  0.308755  0.302861  1
  Al  Al13  1  0.673195  0.670456  0.277935  1
  Al  Al14  1  0.640748  0.974223  0.302836  1
  Al  Al15  1  0.613252  0.279223  0.328955  1
  Al  Al16  1  0.975283  0.641374  0.302864  1
  Al  Al17  1  0.945761  0.946708  0.328956  1
  Al  Al18  1  0.278122  0.611582  0.328890  1
  Al  Al19  1  0.110812  0.280009  0.328659  1
  Al  Al20  1  0.445425  0.945780  0.329035  1
  Al  Al21  1  0.505103  0.338512  0.277970  1
  Al  Al22  1  0.779033  0.612370  0.329182  1
  Al  Al23  1  0.837375  0.003874  0.278077  1
  Al  Al24  1  0.810142  0.307703  0.302422  1
  Al  Al25  1  0.172796  0.673064  0.278012  1
  Al  Al26  1  0.141124  0.974954  0.302764  1
  Al  Al27  1  0.475070  0.641714  0.302794  1
  Al  Al28  1  0.946541  0.444289  0.328668  1
  Al  Al29  1  0.278906  0.112496  0.329181  1
  Al  Al30  1  0.339634  0.506223  0.278013  1
  Al  Al31  1  0.612318  0.778886  0.329035  1
  Al  Al32  1  0.670453  0.170807  0.278077  1
  Al  Al33  1  0.641493  0.474592  0.302763  1
  Al  Al34  1  0.005084  0.838529  0.277970  1
  Al  Al35  1  0.974230  0.143585  0.302424  1
  Al  Al36  1  0.308246  0.808539  0.302795  1
  Al  Al37  1  0.052053  0.385522  0.379944  1
  Al  Al38  1  0.385149  0.052236  0.379856  1
  Al  Al39  1  0.354594  0.354867  0.405310  1
  Al  Al40  1  0.718762  0.718622  0.379857  1
  Al  Al41  1  0.688060  0.021538  0.405336  1
  Al  Al42  1  0.748648  0.415560  0.353906  1
  Al  Al43  1  0.021391  0.688072  0.405311  1
  Al  Al44  1  0.082091  0.082120  0.353906  1
  Al  Al45  1  0.415229  0.748698  0.353859  1
  Al  Al46  1  0.824364  0.157844  0.431111  1
  Al  Al47  1  0.248736  0.915594  0.353908  1
  Al  Al48  1  0.217973  0.219227  0.379559  1
  Al  Al49  1  0.582124  0.582204  0.353907  1
  Al  Al50  1  0.551876  0.885349  0.379821  1
  Al  Al51  1  0.521383  0.188253  0.405346  1
  Al  Al52  1  0.885752  0.551448  0.379562  1
  Al  Al53  1  0.854775  0.854862  0.405346  1
  Al  Al54  1  0.188121  0.521597  0.405373  1
  Al  Al55  1  0.021358  0.188290  0.405288  1
  Al  Al56  1  0.354707  0.854892  0.405350  1
  Al  Al57  1  0.415425  0.249148  0.353869  1
  Al  Al58  1  0.688234  0.521500  0.405343  1
  Al  Al59  1  0.748866  0.915359  0.353883  1
  Al  Al60  1  0.718679  0.218751  0.379801  1
  Al  Al61  1  0.082425  0.582027  0.353821  1
  Al  Al62  1  0.051863  0.885402  0.379827  1
  Al  Al63  1  0.385211  0.552101  0.379809  1
  Al  Al64  1  0.854812  0.354835  0.405288  1
  Al  Al65  1  0.188023  0.021713  0.405342  1
  Al  Al66  1  0.248552  0.415894  0.353819  1
  Al  Al67  1  0.521414  0.688184  0.405350  1
  Al  Al68  1  0.581886  0.082340  0.353883  1
  Al  Al69  1  0.551929  0.385333  0.379827  1
  Al  Al70  1  0.915676  0.748898  0.353871  1
  Al  Al71  1  0.885279  0.052151  0.379801  1
  Al  Al72  1  0.218631  0.718684  0.379809  1
  Al  Al73  1  0.960591  0.294076  0.456767  1
  Al  Al74  1  0.293893  0.960803  0.456774  1
  Al  Al75  1  0.263515  0.263692  0.482499  1
  Al  Al76  1  0.627318  0.627378  0.456774  1
  Al  Al77  1  0.596878  0.930366  0.482499  1
  Al  Al78  1  0.657731  0.324485  0.431113  1
  Al  Al79  1  0.930204  0.597003  0.482499  1
  Al  Al80  1  0.991005  0.991212  0.431114  1
  Al  Al81  1  0.324364  0.657844  0.431128  1
  Al  Al82  1  0.733136  0.066628  0.508190  1
  Al  Al83  1  0.157660  0.824510  0.431116  1
  Al  Al84  1  0.127210  0.127452  0.456769  1
  Al  Al85  1  0.491029  0.491140  0.431115  1
  Al  Al86  1  0.460601  0.794086  0.456780  1
  Al  Al87  1  0.430158  0.097064  0.482485  1
  Al  Al88  1  0.793967  0.460694  0.456770  1
  Al  Al89  1  0.763575  0.763646  0.482486  1
  Al  Al90  1  0.096861  0.430349  0.482502  1
  Al  Al91  1  0.930189  0.097041  0.482501  1
  Al  Al92  1  0.263521  0.763702  0.482496  1
  Al  Al93  1  0.324188  0.157963  0.431057  1
  Al  Al94  1  0.596882  0.430329  0.482495  1
  Al  Al95  1  0.657723  0.824474  0.431123  1
  Al  Al96  1  0.627258  0.127417  0.456780  1
  Al  Al97  1  0.990971  0.491194  0.431114  1
  Al  Al98  1  0.960589  0.794044  0.456769  1
  Al  Al99  1  0.293929  0.460731  0.456785  1
  Al  Al100  1  0.763553  0.263678  0.482501  1
  Al  Al101  1  0.096841  0.930371  0.482495  1
  Al  Al102  1  0.157714  0.324451  0.431114  1
  Al  Al103  1  0.430214  0.597008  0.482496  1
  Al  Al104  1  0.490993  0.991205  0.431123  1
  Al  Al105  1  0.460558  0.294074  0.456769  1
  Al  Al106  1  0.824482  0.657669  0.431058  1
  Al  Al107  1  0.793932  0.960743  0.456780  1
  Al  Al108  1  0.127248  0.627414  0.456785  1
  Al  Al109  1  0.869416  0.202912  0.533927  1
  Al  Al110  1  0.202691  0.869564  0.533890  1
  Al  Al111  1  0.172267  0.172538  0.559584  1
  Al  Al112  1  0.536069  0.536187  0.533890  1
  Al  Al113  1  0.505651  0.839150  0.559529  1
  Al  Al114  1  0.566448  0.233284  0.508183  1
  Al  Al115  1  0.839038  0.505767  0.559584  1
  Al  Al116  1  0.899792  0.899940  0.508183  1
  Al  Al117  1  0.233107  0.566598  0.508188  1
  Al  Al118  1  0.641993  0.975495  0.585334  1
  Al  Al119  1  0.066446  0.733267  0.508185  1
  Al  Al120  1  0.036021  0.036272  0.533901  1
  Al  Al121  1  0.399775  0.399937  0.508185  1
  Al  Al122  1  0.369374  0.702869  0.533883  1
  Al  Al123  1  0.338923  0.005874  0.559549  1
  Al  Al124  1  0.702776  0.369517  0.533901  1
  Al  Al125  1  0.672375  0.672422  0.559549  1
  Al  Al126  1  0.005639  0.339139  0.559606  1
  Al  Al127  1  0.839016  0.005824  0.559581  1
  Al  Al128  1  0.172272  0.672410  0.559577  1
  Al  Al129  1  0.233086  0.066654  0.508179  1
  Al  Al130  1  0.505607  0.339133  0.559573  1
  Al  Al131  1  0.566486  0.733267  0.508172  1
  Al  Al132  1  0.536065  0.036270  0.533900  1
  Al  Al133  1  0.899815  0.399931  0.508192  1
  Al  Al134  1  0.869429  0.702865  0.533908  1
  Al  Al135  1  0.202704  0.369569  0.533923  1
  Al  Al136  1  0.672324  0.172516  0.559581  1
  Al  Al137  1  0.005633  0.839107  0.559572  1
  Al  Al138  1  0.066439  0.233307  0.508192  1
  Al  Al139  1  0.338911  0.505771  0.559577  1
  Al  Al140  1  0.399775  0.899978  0.508172  1
  Al  Al141  1  0.369370  0.202925  0.533908  1
  Al  Al142  1  0.733161  0.566577  0.508179  1
  Al  Al143  1  0.702774  0.869560  0.533900  1
  Al  Al144  1  0.036074  0.536199  0.533923  1
  Al  Al145  1  0.778122  0.111630  0.610895  1
  Al  Al146  1  0.111307  0.778055  0.610898  1
  Al  Al147  1  0.081251  0.081428  0.636976  1
  Al  Al148  1  0.444548  0.444816  0.610899  1
  Al  Al149  1  0.414496  0.748001  0.636709  1
  Al  Al150  1  0.475253  0.142206  0.585354  1
  Al  Al151  1  0.747917  0.414761  0.636976  1
  Al  Al152  1  0.808704  0.808755  0.585354  1
  Al  Al153  1  0.141876  0.475379  0.585407  1
  Al  Al154  1  0.551250  0.884765  0.661614  1
  Al  Al155  1  0.975268  0.642036  0.585378  1
  Al  Al156  1  0.944840  0.944881  0.610918  1
  Al  Al157  1  0.308534  0.308771  0.585379  1
  Al  Al158  1  0.277952  0.611459  0.610928  1
  Al  Al159  1  0.247114  0.915181  0.636520  1
  Al  Al160  1  0.611373  0.278348  0.610918  1
  Al  Al161  1  0.581670  0.580625  0.636523  1
  Al  Al162  1  0.914508  0.248017  0.636930  1
  Al  Al163  1  0.748086  0.914806  0.636828  1
  Al  Al164  1  0.080969  0.581339  0.636924  1
  Al  Al165  1  0.141742  0.975558  0.585292  1
  Al  Al166  1  0.414445  0.248094  0.636910  1
  Al  Al167  1  0.475196  0.642027  0.585288  1
  Al  Al168  1  0.444732  0.945047  0.610802  1
  Al  Al169  1  0.808632  0.308777  0.585400  1
  Al  Al170  1  0.778227  0.611572  0.610907  1
  Al  Al171  1  0.111368  0.278171  0.610954  1
  Al  Al172  1  0.581298  0.081595  0.636828  1
  Al  Al173  1  0.914586  0.747952  0.636910  1
  Al  Al174  1  0.975274  0.142135  0.585400  1
  Al  Al175  1  0.247832  0.414478  0.636924  1
  Al  Al176  1  0.308525  0.808697  0.585288  1
  Al  Al177  1  0.278064  0.111736  0.610907  1
  Al  Al178  1  0.642055  0.475245  0.585293  1
  Al  Al179  1  0.611540  0.778239  0.610802  1
  Al  Al180  1  0.944663  0.444876  0.610954  1
  Al  Al181  1  0.688624  0.022133  0.688077  1
  Al  Al182  1  0.021804  0.688778  0.688241  1
  Al  Al183  1  0.991701  0.991636  0.712926  1
  Al  Al184  1  0.355272  0.355306  0.688241  1
  Al  Al185  1  0.323175  0.656731  0.712757  1
  Al  Al186  1  0.384572  0.051006  0.661792  1
  Al  Al187  1  0.658082  0.325253  0.712926  1
  Al  Al188  1  0.717487  0.718089  0.661793  1
  Al  Al189  1  0.050691  0.384209  0.661763  1
  Al  Al190  1  0.461367  0.794946  0.736356  1
  Al  Al191  1  0.883969  0.551356  0.661848  1
  Al  Al192  1  0.856168  0.855509  0.687963  1
  Al  Al193  1  0.217839  0.217488  0.661848  1
  Al  Al194  1  0.187740  0.521245  0.687930  1
  Al  Al195  1  0.158940  0.824987  0.713155  1
  Al  Al196  1  0.522002  0.189668  0.687965  1
  Al  Al197  1  0.491430  0.492487  0.713155  1
  Al  Al198  1  0.824817  0.158370  0.712884  1
  Al  Al199  1  0.660135  0.825968  0.712745  1
  Al  Al200  1  0.990970  0.491660  0.712967  1
  Al  Al201  1  0.051298  0.884392  0.661786  1
  Al  Al202  1  0.325150  0.157226  0.713141  1
  Al  Al203  1  0.384159  0.551077  0.661818  1
  Al  Al204  1  0.353821  0.856000  0.686994  1
  Al  Al205  1  0.717681  0.217902  0.661731  1
  Al  Al206  1  0.688129  0.522733  0.688330  1
  Al  Al207  1  0.022058  0.188587  0.688119  1
  Al  Al208  1  0.492409  0.993662  0.712745  1
  Al  Al209  1  0.823679  0.658702  0.713141  1
  Al  Al210  1  0.884384  0.051200  0.661730  1
  Al  Al211  1  0.158109  0.324521  0.712967  1
  Al  Al212  1  0.217557  0.717674  0.661817  1
  Al  Al213  1  0.189223  0.021639  0.688328  1
  Al  Al214  1  0.550873  0.384815  0.661786  1
  Al  Al215  1  0.522488  0.687342  0.687003  1
  Al  Al216  1  0.855079  0.355566  0.688119  1
