# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.75498056
_cell_length_b   12.74717648
_cell_length_c   47.73392307
_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   7722.15519936
_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  0.171923  0.339416  0.281951  1
  Al  Al2  1  0.505257  0.006082  0.281951  1
  Al  Al3  1  0.473909  0.307973  0.305629  1
  Al  Al4  1  0.838590  0.672749  0.281951  1
  Al  Al5  1  0.807242  0.974639  0.305629  1
  Al  Al6  1  0.776660  0.277406  0.332056  1
  Al  Al7  1  0.140575  0.641306  0.305629  1
  Al  Al8  1  0.109993  0.944073  0.332056  1
  Al  Al9  1  0.443326  0.610740  0.332056  1
  Al  Al10  1  0.005257  0.506082  0.281951  1
  Al  Al11  1  0.338590  0.172749  0.281951  1
  Al  Al12  1  0.307242  0.474639  0.305629  1
  Al  Al13  1  0.671923  0.839416  0.281951  1
  Al  Al14  1  0.640575  0.141306  0.305629  1
  Al  Al15  1  0.609993  0.444073  0.332056  1
  Al  Al16  1  0.973909  0.807973  0.305629  1
  Al  Al17  1  0.943326  0.110740  0.332056  1
  Al  Al18  1  0.276660  0.777406  0.332056  1
  Al  Al19  1  0.109993  0.444073  0.332056  1
  Al  Al20  1  0.443326  0.110740  0.332056  1
  Al  Al21  1  0.505257  0.506082  0.281951  1
  Al  Al22  1  0.776660  0.777406  0.332056  1
  Al  Al23  1  0.838590  0.172749  0.281951  1
  Al  Al24  1  0.807242  0.474639  0.305629  1
  Al  Al25  1  0.171923  0.839416  0.281951  1
  Al  Al26  1  0.140575  0.141306  0.305629  1
  Al  Al27  1  0.473909  0.807973  0.305629  1
  Al  Al28  1  0.973909  0.307973  0.305629  1
  Al  Al29  1  0.307242  0.974639  0.305629  1
  Al  Al30  1  0.276660  0.277406  0.332056  1
  Al  Al31  1  0.640575  0.641306  0.305629  1
  Al  Al32  1  0.609993  0.944073  0.332056  1
  Al  Al33  1  0.671923  0.339416  0.281951  1
  Al  Al34  1  0.943326  0.610740  0.332056  1
  Al  Al35  1  0.005257  0.006082  0.281951  1
  Al  Al36  1  0.338590  0.672749  0.281951  1
  Al  Al37  1  0.079222  0.246582  0.357150  1
  Al  Al38  1  0.412555  0.913249  0.357150  1
  Al  Al39  1  0.382104  0.216116  0.383258  1
  Al  Al40  1  0.745889  0.579916  0.357150  1
  Al  Al41  1  0.715437  0.882783  0.383258  1
  Al  Al42  1  0.684723  0.185364  0.408738  1
  Al  Al43  1  0.048770  0.549449  0.383258  1
  Al  Al44  1  0.018057  0.852031  0.408738  1
  Al  Al45  1  0.351390  0.518698  0.408738  1
  Al  Al46  1  0.912555  0.413249  0.357150  1
  Al  Al47  1  0.245889  0.079916  0.357150  1
  Al  Al48  1  0.215437  0.382783  0.383258  1
  Al  Al49  1  0.579222  0.746582  0.357150  1
  Al  Al50  1  0.548770  0.049449  0.383258  1
  Al  Al51  1  0.518057  0.352031  0.408738  1
  Al  Al52  1  0.882104  0.716116  0.383258  1
  Al  Al53  1  0.851390  0.018698  0.408738  1
  Al  Al54  1  0.184723  0.685364  0.408738  1
  Al  Al55  1  0.018057  0.352031  0.408738  1
  Al  Al56  1  0.351390  0.018698  0.408738  1
  Al  Al57  1  0.412555  0.413249  0.357150  1
  Al  Al58  1  0.684723  0.685364  0.408738  1
  Al  Al59  1  0.745889  0.079916  0.357150  1
  Al  Al60  1  0.715437  0.382783  0.383258  1
  Al  Al61  1  0.079222  0.746582  0.357150  1
  Al  Al62  1  0.048770  0.049449  0.383258  1
  Al  Al63  1  0.382104  0.716116  0.383258  1
  Al  Al64  1  0.882104  0.216116  0.383258  1
  Al  Al65  1  0.215437  0.882783  0.383258  1
  Al  Al66  1  0.184723  0.185364  0.408738  1
  Al  Al67  1  0.548770  0.549449  0.383258  1
  Al  Al68  1  0.518057  0.852031  0.408738  1
  Al  Al69  1  0.579222  0.246582  0.357150  1
  Al  Al70  1  0.851390  0.518698  0.408738  1
  Al  Al71  1  0.912555  0.913249  0.357150  1
  Al  Al72  1  0.245889  0.579916  0.357150  1
  Al  Al73  1  0.987491  0.154775  0.434610  1
  Al  Al74  1  0.320824  0.821442  0.434610  1
  Al  Al75  1  0.290160  0.124078  0.460226  1
  Al  Al76  1  0.654157  0.488108  0.434610  1
  Al  Al77  1  0.623493  0.790745  0.460226  1
  Al  Al78  1  0.592897  0.093456  0.486022  1
  Al  Al79  1  0.956826  0.457411  0.460226  1
  Al  Al80  1  0.926230  0.760122  0.486022  1
  Al  Al81  1  0.259564  0.426789  0.486022  1
  Al  Al82  1  0.820824  0.321442  0.434610  1
  Al  Al83  1  0.154157  0.988108  0.434610  1
  Al  Al84  1  0.123493  0.290745  0.460226  1
  Al  Al85  1  0.487491  0.654775  0.434610  1
  Al  Al86  1  0.456826  0.957411  0.460226  1
  Al  Al87  1  0.426230  0.260122  0.486022  1
  Al  Al88  1  0.790160  0.624078  0.460226  1
  Al  Al89  1  0.759564  0.926789  0.486022  1
  Al  Al90  1  0.092897  0.593456  0.486022  1
  Al  Al91  1  0.926230  0.260122  0.486022  1
  Al  Al92  1  0.259564  0.926789  0.486022  1
  Al  Al93  1  0.320824  0.321442  0.434610  1
  Al  Al94  1  0.592897  0.593456  0.486022  1
  Al  Al95  1  0.654157  0.988108  0.434610  1
  Al  Al96  1  0.623493  0.290745  0.460226  1
  Al  Al97  1  0.987491  0.654775  0.434610  1
  Al  Al98  1  0.956826  0.957411  0.460226  1
  Al  Al99  1  0.290160  0.624078  0.460226  1
  Al  Al100  1  0.790160  0.124078  0.460226  1
  Al  Al101  1  0.123493  0.790745  0.460226  1
  Al  Al102  1  0.092897  0.093456  0.486022  1
  Al  Al103  1  0.456826  0.457411  0.460226  1
  Al  Al104  1  0.426230  0.760122  0.486022  1
  Al  Al105  1  0.487491  0.154775  0.434610  1
  Al  Al106  1  0.759564  0.426789  0.486022  1
  Al  Al107  1  0.820824  0.821442  0.434610  1
  Al  Al108  1  0.154157  0.488108  0.434610  1
  Al  Al109  1  0.895579  0.062773  0.511672  1
  Al  Al110  1  0.228912  0.729439  0.511672  1
  Al  Al111  1  0.198316  0.032151  0.537468  1
  Al  Al112  1  0.562246  0.396106  0.511672  1
  Al  Al113  1  0.531650  0.698817  0.537468  1
  Al  Al114  1  0.500985  1.001453  0.563084  1
  Al  Al115  1  0.864983  0.365484  0.537468  1
  Al  Al116  1  0.834319  0.668120  0.563084  1
  Al  Al117  1  0.167652  0.334787  0.563084  1
  Al  Al118  1  0.728912  0.229439  0.511672  1
  Al  Al119  1  0.062246  0.896106  0.511672  1
  Al  Al120  1  0.031650  0.198817  0.537468  1
  Al  Al121  1  0.395579  0.562773  0.511672  1
  Al  Al122  1  0.364983  0.865484  0.537468  1
  Al  Al123  1  0.334319  0.168120  0.563084  1
  Al  Al124  1  0.698316  0.532151  0.537468  1
  Al  Al125  1  0.667652  0.834787  0.563084  1
  Al  Al126  1  1.000985  0.501453  0.563084  1
  Al  Al127  1  0.834319  0.168120  0.563084  1
  Al  Al128  1  0.167652  0.834787  0.563084  1
  Al  Al129  1  0.228912  0.229439  0.511672  1
  Al  Al130  1  0.500985  0.501453  0.563084  1
  Al  Al131  1  0.562246  0.896106  0.511672  1
  Al  Al132  1  0.531650  0.198817  0.537468  1
  Al  Al133  1  0.895579  0.562773  0.511672  1
  Al  Al134  1  0.864983  0.865484  0.537468  1
  Al  Al135  1  0.198316  0.532151  0.537468  1
  Al  Al136  1  0.698316  0.032151  0.537468  1
  Al  Al137  1  0.031650  0.698817  0.537468  1
  Al  Al138  1  1.000985  1.001453  0.563084  1
  Al  Al139  1  0.364983  0.365484  0.537468  1
  Al  Al140  1  0.334319  0.668120  0.563084  1
  Al  Al141  1  0.395579  0.062773  0.511672  1
  Al  Al142  1  0.667652  0.334787  0.563084  1
  Al  Al143  1  0.728912  0.729439  0.511672  1
  Al  Al144  1  0.062246  0.396106  0.511672  1
  Al  Al145  1  0.803753  0.970864  0.588956  1
  Al  Al146  1  0.137086  0.637531  0.588956  1
  Al  Al147  1  0.106372  0.940112  0.614436  1
  Al  Al148  1  0.470419  0.304197  0.588956  1
  Al  Al149  1  0.439706  0.606779  0.614436  1
  Al  Al150  1  0.409254  0.909646  0.640543  1
  Al  Al151  1  0.773039  0.273446  0.614436  1
  Al  Al152  1  0.742587  0.576313  0.640543  1
  Al  Al153  1  0.075920  0.242979  0.640543  1
  Al  Al154  1  0.637086  0.137531  0.588956  1
  Al  Al155  1  0.970419  0.804197  0.588956  1
  Al  Al156  1  0.939706  0.106779  0.614436  1
  Al  Al157  1  0.303753  0.470864  0.588956  1
  Al  Al158  1  0.273039  0.773446  0.614436  1
  Al  Al159  1  0.242587  0.076313  0.640543  1
  Al  Al160  1  0.606372  0.440112  0.614436  1
  Al  Al161  1  0.575920  0.742979  0.640543  1
  Al  Al162  1  0.909254  0.409646  0.640543  1
  Al  Al163  1  0.742587  0.076313  0.640543  1
  Al  Al164  1  0.075920  0.742979  0.640543  1
  Al  Al165  1  0.137086  0.137531  0.588956  1
  Al  Al166  1  0.409254  0.409646  0.640543  1
  Al  Al167  1  0.470419  0.804197  0.588956  1
  Al  Al168  1  0.439706  0.106779  0.614436  1
  Al  Al169  1  0.803753  0.470864  0.588956  1
  Al  Al170  1  0.773039  0.773446  0.614436  1
  Al  Al171  1  0.106372  0.440112  0.614436  1
  Al  Al172  1  0.606372  0.940112  0.614436  1
  Al  Al173  1  0.939706  0.606779  0.614436  1
  Al  Al174  1  0.909254  0.909646  0.640543  1
  Al  Al175  1  0.273039  0.273446  0.614436  1
  Al  Al176  1  0.242587  0.576313  0.640543  1
  Al  Al177  1  0.303753  0.970864  0.588956  1
  Al  Al178  1  0.575920  0.242979  0.640543  1
  Al  Al179  1  0.637086  0.637531  0.588956  1
  Al  Al180  1  0.970419  0.304197  0.588956  1
  Al  Al181  1  0.711816  0.878822  0.665638  1
  Al  Al182  1  0.045150  0.545489  0.665638  1
  Al  Al183  1  0.014567  0.848256  0.692065  1
  Al  Al184  1  0.378483  0.212156  0.665638  1
  Al  Al185  1  0.347901  0.514922  0.692065  1
  Al  Al186  1  0.316553  0.816813  0.715743  1
  Al  Al187  1  0.681234  0.181589  0.692065  1
  Al  Al188  1  0.649886  0.483479  0.715743  1
  Al  Al189  1  0.983219  0.150146  0.715743  1
  Al  Al190  1  0.545150  0.045489  0.665638  1
  Al  Al191  1  0.878483  0.712156  0.665638  1
  Al  Al192  1  0.847901  0.014922  0.692065  1
  Al  Al193  1  0.211816  0.378822  0.665638  1
  Al  Al194  1  0.181234  0.681589  0.692065  1
  Al  Al195  1  0.149886  0.983479  0.715743  1
  Al  Al196  1  0.514567  0.348256  0.692065  1
  Al  Al197  1  0.483219  0.650146  0.715743  1
  Al  Al198  1  0.816553  0.316813  0.715743  1
  Al  Al199  1  0.649886  0.983479  0.715743  1
  Al  Al200  1  0.983219  0.650146  0.715743  1
  Al  Al201  1  0.045150  0.045489  0.665638  1
  Al  Al202  1  0.316553  0.316813  0.715743  1
  Al  Al203  1  0.378483  0.712156  0.665638  1
  Al  Al204  1  0.347901  0.014922  0.692065  1
  Al  Al205  1  0.711816  0.378822  0.665638  1
  Al  Al206  1  0.681234  0.681589  0.692065  1
  Al  Al207  1  0.014567  0.348256  0.692065  1
  Al  Al208  1  0.514567  0.848256  0.692065  1
  Al  Al209  1  0.847901  0.514922  0.692065  1
  Al  Al210  1  0.816553  0.816813  0.715743  1
  Al  Al211  1  0.181234  0.181589  0.692065  1
  Al  Al212  1  0.149886  0.483479  0.715743  1
  Al  Al213  1  0.211816  0.878822  0.665638  1
  Al  Al214  1  0.483219  0.150146  0.715743  1
  Al  Al215  1  0.545150  0.545489  0.665638  1
  Al  Al216  1  0.878483  0.212156  0.665638  1
