# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.68249590
_cell_length_b   12.67818639
_cell_length_c   47.92018909
_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   7666.51488509
_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  0.005817  0.506561  0.281249  1
  Al  Al2  1  0.339150  0.173228  0.281249  1
  Al  Al3  1  0.307813  0.475164  0.302894  1
  Al  Al4  1  0.672483  0.839894  0.281249  1
  Al  Al5  1  0.641147  0.141831  0.302894  1
  Al  Al6  1  0.612085  0.446142  0.330489  1
  Al  Al7  1  0.974480  0.808497  0.302894  1
  Al  Al8  1  0.945418  0.112809  0.330489  1
  Al  Al9  1  0.278752  0.779475  0.330489  1
  Al  Al10  1  0.172483  0.339894  0.281249  1
  Al  Al11  1  0.505817  0.006561  0.281249  1
  Al  Al12  1  0.474480  0.308497  0.302894  1
  Al  Al13  1  0.839150  0.673228  0.281249  1
  Al  Al14  1  0.807813  0.975164  0.302894  1
  Al  Al15  1  0.778752  0.279475  0.330489  1
  Al  Al16  1  0.141147  0.641831  0.302894  1
  Al  Al17  1  0.112085  0.946142  0.330489  1
  Al  Al18  1  0.445418  0.612809  0.330489  1
  Al  Al19  1  0.974480  0.308497  0.302894  1
  Al  Al20  1  0.307813  0.975164  0.302894  1
  Al  Al21  1  0.278752  0.279475  0.330489  1
  Al  Al22  1  0.641147  0.641831  0.302894  1
  Al  Al23  1  0.612085  0.946142  0.330489  1
  Al  Al24  1  0.672483  0.339894  0.281249  1
  Al  Al25  1  0.945418  0.612809  0.330489  1
  Al  Al26  1  0.005817  0.006561  0.281249  1
  Al  Al27  1  0.339150  0.673228  0.281249  1
  Al  Al28  1  0.112085  0.446142  0.330489  1
  Al  Al29  1  0.445418  0.112809  0.330489  1
  Al  Al30  1  0.505817  0.506561  0.281249  1
  Al  Al31  1  0.778752  0.779475  0.330489  1
  Al  Al32  1  0.839150  0.173228  0.281249  1
  Al  Al33  1  0.807813  0.475164  0.302894  1
  Al  Al34  1  0.172483  0.839894  0.281249  1
  Al  Al35  1  0.141147  0.141831  0.302894  1
  Al  Al36  1  0.474480  0.808497  0.302894  1
  Al  Al37  1  0.914686  0.415371  0.354647  1
  Al  Al38  1  0.248019  0.082038  0.354647  1
  Al  Al39  1  0.217877  0.385245  0.381238  1
  Al  Al40  1  0.581353  0.748704  0.354647  1
  Al  Al41  1  0.551210  0.051912  0.381238  1
  Al  Al42  1  0.520399  0.354441  0.406542  1
  Al  Al43  1  0.884543  0.718579  0.381238  1
  Al  Al44  1  0.853732  0.021108  0.406542  1
  Al  Al45  1  0.187065  0.687774  0.406542  1
  Al  Al46  1  0.081353  0.248704  0.354647  1
  Al  Al47  1  0.414686  0.915371  0.354647  1
  Al  Al48  1  0.384543  0.218579  0.381238  1
  Al  Al49  1  0.748019  0.582038  0.354647  1
  Al  Al50  1  0.717877  0.885245  0.381238  1
  Al  Al51  1  0.687065  0.187774  0.406542  1
  Al  Al52  1  0.051210  0.551912  0.381238  1
  Al  Al53  1  0.020399  0.854441  0.406542  1
  Al  Al54  1  0.353732  0.521108  0.406542  1
  Al  Al55  1  0.884543  0.218579  0.381238  1
  Al  Al56  1  0.217877  0.885245  0.381238  1
  Al  Al57  1  0.187065  0.187774  0.406542  1
  Al  Al58  1  0.551210  0.551912  0.381238  1
  Al  Al59  1  0.520399  0.854441  0.406542  1
  Al  Al60  1  0.581353  0.248704  0.354647  1
  Al  Al61  1  0.853732  0.521108  0.406542  1
  Al  Al62  1  0.914686  0.915371  0.354647  1
  Al  Al63  1  0.248019  0.582038  0.354647  1
  Al  Al64  1  0.020399  0.354441  0.406542  1
  Al  Al65  1  0.353732  0.021108  0.406542  1
  Al  Al66  1  0.414686  0.415371  0.354647  1
  Al  Al67  1  0.687065  0.687774  0.406542  1
  Al  Al68  1  0.748019  0.082038  0.354647  1
  Al  Al69  1  0.717877  0.385245  0.381238  1
  Al  Al70  1  0.081353  0.748704  0.354647  1
  Al  Al71  1  0.051210  0.051912  0.381238  1
  Al  Al72  1  0.384543  0.718579  0.381238  1
  Al  Al73  1  0.823301  0.323985  0.432576  1
  Al  Al74  1  0.156634  0.990652  0.432576  1
  Al  Al75  1  0.125977  0.293334  0.458163  1
  Al  Al76  1  0.489968  0.657318  0.432576  1
  Al  Al77  1  0.459310  0.960001  0.458163  1
  Al  Al78  1  0.428783  0.262789  0.484046  1
  Al  Al79  1  0.792643  0.626668  0.458163  1
  Al  Al80  1  0.762117  0.929456  0.484046  1
  Al  Al81  1  0.095450  0.596122  0.484046  1
  Al  Al82  1  0.989968  0.157318  0.432576  1
  Al  Al83  1  0.323301  0.823985  0.432576  1
  Al  Al84  1  0.292643  0.126668  0.458163  1
  Al  Al85  1  0.656634  0.490652  0.432576  1
  Al  Al86  1  0.625977  0.793334  0.458163  1
  Al  Al87  1  0.595450  0.096122  0.484046  1
  Al  Al88  1  0.959310  0.460001  0.458163  1
  Al  Al89  1  0.928783  0.762789  0.484046  1
  Al  Al90  1  0.262117  0.429456  0.484046  1
  Al  Al91  1  0.792643  0.126668  0.458163  1
  Al  Al92  1  0.125977  0.793334  0.458163  1
  Al  Al93  1  0.095450  0.096122  0.484046  1
  Al  Al94  1  0.459310  0.460001  0.458163  1
  Al  Al95  1  0.428783  0.762789  0.484046  1
  Al  Al96  1  0.489968  0.157318  0.432576  1
  Al  Al97  1  0.762117  0.429456  0.484046  1
  Al  Al98  1  0.823301  0.823985  0.432576  1
  Al  Al99  1  0.156634  0.490652  0.432576  1
  Al  Al100  1  0.928783  0.262789  0.484046  1
  Al  Al101  1  0.262117  0.929456  0.484046  1
  Al  Al102  1  0.323301  0.323985  0.432576  1
  Al  Al103  1  0.595450  0.596122  0.484046  1
  Al  Al104  1  0.656634  0.990652  0.432576  1
  Al  Al105  1  0.625977  0.293334  0.458163  1
  Al  Al106  1  0.989968  0.657318  0.432576  1
  Al  Al107  1  0.959310  0.960001  0.458163  1
  Al  Al108  1  0.292643  0.626668  0.458163  1
  Al  Al109  1  0.731481  0.232162  0.509693  1
  Al  Al110  1  0.064814  0.898828  0.509693  1
  Al  Al111  1  0.034288  0.201616  0.535575  1
  Al  Al112  1  0.398148  0.565495  0.509693  1
  Al  Al113  1  0.367621  0.868283  0.535575  1
  Al  Al114  1  0.336963  0.170966  0.561163  1
  Al  Al115  1  0.700954  0.534950  0.535575  1
  Al  Al116  1  0.670297  0.837632  0.561163  1
  Al  Al117  1  1.003630  0.504299  0.561163  1
  Al  Al118  1  0.898148  0.065495  0.509693  1
  Al  Al119  1  0.231481  0.732162  0.509693  1
  Al  Al120  1  0.200954  0.034950  0.535575  1
  Al  Al121  1  0.564814  0.398828  0.509693  1
  Al  Al122  1  0.534288  0.701616  0.535575  1
  Al  Al123  1  0.503630  1.004299  0.561163  1
  Al  Al124  1  0.867621  0.368283  0.535575  1
  Al  Al125  1  0.836963  0.670966  0.561163  1
  Al  Al126  1  0.170297  0.337632  0.561163  1
  Al  Al127  1  0.700954  0.034950  0.535575  1
  Al  Al128  1  0.034288  0.701616  0.535575  1
  Al  Al129  1  1.003630  1.004299  0.561163  1
  Al  Al130  1  0.367621  0.368283  0.535575  1
  Al  Al131  1  0.336963  0.670966  0.561163  1
  Al  Al132  1  0.398148  0.065495  0.509693  1
  Al  Al133  1  0.670297  0.337632  0.561163  1
  Al  Al134  1  0.731481  0.732162  0.509693  1
  Al  Al135  1  0.064814  0.398828  0.509693  1
  Al  Al136  1  0.836963  0.170966  0.561163  1
  Al  Al137  1  0.170297  0.837632  0.561163  1
  Al  Al138  1  0.231481  0.232162  0.509693  1
  Al  Al139  1  0.503630  0.504299  0.561163  1
  Al  Al140  1  0.564814  0.898828  0.509693  1
  Al  Al141  1  0.534288  0.201616  0.535575  1
  Al  Al142  1  0.898148  0.565495  0.509693  1
  Al  Al143  1  0.867621  0.868283  0.535575  1
  Al  Al144  1  0.200954  0.534950  0.535575  1
  Al  Al145  1  0.639866  0.140510  0.587197  1
  Al  Al146  1  0.973199  0.807176  0.587197  1
  Al  Al147  1  0.942387  0.109705  0.612500  1
  Al  Al148  1  0.306532  0.473843  0.587197  1
  Al  Al149  1  0.275721  0.776372  0.612500  1
  Al  Al150  1  0.245578  0.079580  0.639092  1
  Al  Al151  1  0.609054  0.443039  0.612500  1
  Al  Al152  1  0.578912  0.746246  0.639092  1
  Al  Al153  1  0.912245  0.412913  0.639092  1
  Al  Al154  1  0.806532  0.973843  0.587197  1
  Al  Al155  1  0.139866  0.640510  0.587197  1
  Al  Al156  1  0.109054  0.943039  0.612500  1
  Al  Al157  1  0.473199  0.307176  0.587197  1
  Al  Al158  1  0.442387  0.609705  0.612500  1
  Al  Al159  1  0.412245  0.912913  0.639092  1
  Al  Al160  1  0.775721  0.276372  0.612500  1
  Al  Al161  1  0.745578  0.579580  0.639092  1
  Al  Al162  1  0.078912  0.246246  0.639092  1
  Al  Al163  1  0.609054  0.943039  0.612500  1
  Al  Al164  1  0.942387  0.609705  0.612500  1
  Al  Al165  1  0.912245  0.912913  0.639092  1
  Al  Al166  1  0.275721  0.276372  0.612500  1
  Al  Al167  1  0.245578  0.579580  0.639092  1
  Al  Al168  1  0.306532  0.973843  0.587197  1
  Al  Al169  1  0.578912  0.246246  0.639092  1
  Al  Al170  1  0.639866  0.640510  0.587197  1
  Al  Al171  1  0.973199  0.307176  0.587197  1
  Al  Al172  1  0.745578  0.079580  0.639092  1
  Al  Al173  1  0.078912  0.746246  0.639092  1
  Al  Al174  1  0.139866  0.140510  0.587197  1
  Al  Al175  1  0.412245  0.412913  0.639092  1
  Al  Al176  1  0.473199  0.807176  0.587197  1
  Al  Al177  1  0.442387  0.109705  0.612500  1
  Al  Al178  1  0.806532  0.473843  0.587197  1
  Al  Al179  1  0.775721  0.776372  0.612500  1
  Al  Al180  1  0.109054  0.443039  0.612500  1
  Al  Al181  1  0.548179  0.048809  0.663250  1
  Al  Al182  1  0.881513  0.715475  0.663250  1
  Al  Al183  1  0.852451  0.019787  0.690845  1
  Al  Al184  1  0.214846  0.382142  0.663250  1
  Al  Al185  1  0.185784  0.686454  0.690845  1
  Al  Al186  1  0.154447  0.988390  0.712490  1
  Al  Al187  1  0.519118  0.353120  0.690845  1
  Al  Al188  1  0.487781  0.655056  0.712490  1
  Al  Al189  1  0.821114  0.321723  0.712490  1
  Al  Al190  1  0.714846  0.882142  0.663250  1
  Al  Al191  1  0.048179  0.548809  0.663250  1
  Al  Al192  1  0.019118  0.853120  0.690845  1
  Al  Al193  1  0.381513  0.215475  0.663250  1
  Al  Al194  1  0.352451  0.519787  0.690845  1
  Al  Al195  1  0.321114  0.821723  0.712490  1
  Al  Al196  1  0.685784  0.186454  0.690845  1
  Al  Al197  1  0.654447  0.488390  0.712490  1
  Al  Al198  1  0.987781  0.155056  0.712490  1
  Al  Al199  1  0.519118  0.853120  0.690845  1
  Al  Al200  1  0.852451  0.519787  0.690845  1
  Al  Al201  1  0.821114  0.821723  0.712490  1
  Al  Al202  1  0.185784  0.186454  0.690845  1
  Al  Al203  1  0.154447  0.488390  0.712490  1
  Al  Al204  1  0.214846  0.882142  0.663250  1
  Al  Al205  1  0.487781  0.155056  0.712490  1
  Al  Al206  1  0.548179  0.548809  0.663250  1
  Al  Al207  1  0.881513  0.215475  0.663250  1
  Al  Al208  1  0.654447  0.988390  0.712490  1
  Al  Al209  1  0.987781  0.655056  0.712490  1
  Al  Al210  1  0.048179  0.048809  0.663250  1
  Al  Al211  1  0.321114  0.321723  0.712490  1
  Al  Al212  1  0.381513  0.715475  0.663250  1
  Al  Al213  1  0.352451  0.019787  0.690845  1
  Al  Al214  1  0.714846  0.382142  0.663250  1
  Al  Al215  1  0.685784  0.686454  0.690845  1
  Al  Al216  1  0.019118  0.353120  0.690845  1
