# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65748547
_cell_length_b   12.66088388
_cell_length_c   48.03174972
_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   7658.74250018
_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  0.006172  0.506522  0.279365  1
  Al  Al2  1  0.339505  0.173188  0.279365  1
  Al  Al3  1  0.307751  0.474798  0.301416  1
  Al  Al4  1  0.672838  0.839855  0.279365  1
  Al  Al5  1  0.641085  0.141464  0.301416  1
  Al  Al6  1  0.612274  0.445977  0.329185  1
  Al  Al7  1  0.974418  0.808131  0.301416  1
  Al  Al8  1  0.945608  0.112643  0.329185  1
  Al  Al9  1  0.278941  0.779310  0.329185  1
  Al  Al10  1  0.172838  0.339855  0.279365  1
  Al  Al11  1  0.506172  0.006522  0.279365  1
  Al  Al12  1  0.474418  0.308131  0.301416  1
  Al  Al13  1  0.839505  0.673188  0.279365  1
  Al  Al14  1  0.807751  0.974798  0.301416  1
  Al  Al15  1  0.778941  0.279310  0.329185  1
  Al  Al16  1  0.141085  0.641464  0.301416  1
  Al  Al17  1  0.112274  0.945977  0.329185  1
  Al  Al18  1  0.445608  0.612643  0.329185  1
  Al  Al19  1  0.974418  0.308131  0.301416  1
  Al  Al20  1  0.307751  0.974798  0.301416  1
  Al  Al21  1  0.278941  0.279310  0.329185  1
  Al  Al22  1  0.641085  0.641464  0.301416  1
  Al  Al23  1  0.612274  0.945977  0.329185  1
  Al  Al24  1  0.672838  0.339855  0.279365  1
  Al  Al25  1  0.945608  0.612643  0.329185  1
  Al  Al26  1  0.006172  0.006522  0.279365  1
  Al  Al27  1  0.339505  0.673188  0.279365  1
  Al  Al28  1  0.112274  0.445977  0.329185  1
  Al  Al29  1  0.445608  0.112643  0.329185  1
  Al  Al30  1  0.506172  0.506522  0.279365  1
  Al  Al31  1  0.778941  0.779310  0.329185  1
  Al  Al32  1  0.839505  0.173188  0.279365  1
  Al  Al33  1  0.807751  0.474798  0.301416  1
  Al  Al34  1  0.172838  0.839855  0.279365  1
  Al  Al35  1  0.141085  0.141464  0.301416  1
  Al  Al36  1  0.474418  0.808131  0.301416  1
  Al  Al37  1  0.914843  0.415226  0.353052  1
  Al  Al38  1  0.248177  0.081892  0.353052  1
  Al  Al39  1  0.218153  0.385200  0.379683  1
  Al  Al40  1  0.581510  0.748559  0.353052  1
  Al  Al41  1  0.551486  0.051867  0.379683  1
  Al  Al42  1  0.520705  0.354427  0.404975  1
  Al  Al43  1  0.884820  0.718533  0.379683  1
  Al  Al44  1  0.854038  0.021093  0.404975  1
  Al  Al45  1  0.187371  0.687760  0.404975  1
  Al  Al46  1  0.081510  0.248559  0.353052  1
  Al  Al47  1  0.414843  0.915226  0.353052  1
  Al  Al48  1  0.384820  0.218533  0.379683  1
  Al  Al49  1  0.748177  0.581892  0.353052  1
  Al  Al50  1  0.718153  0.885200  0.379683  1
  Al  Al51  1  0.687371  0.187760  0.404975  1
  Al  Al52  1  0.051486  0.551867  0.379683  1
  Al  Al53  1  0.020705  0.854427  0.404975  1
  Al  Al54  1  0.354038  0.521093  0.404975  1
  Al  Al55  1  0.884820  0.218533  0.379683  1
  Al  Al56  1  0.218153  0.885200  0.379683  1
  Al  Al57  1  0.187371  0.187760  0.404975  1
  Al  Al58  1  0.551486  0.551867  0.379683  1
  Al  Al59  1  0.520705  0.854427  0.404975  1
  Al  Al60  1  0.581510  0.248559  0.353052  1
  Al  Al61  1  0.854038  0.521093  0.404975  1
  Al  Al62  1  0.914843  0.915226  0.353052  1
  Al  Al63  1  0.248177  0.581892  0.353052  1
  Al  Al64  1  0.020705  0.354427  0.404975  1
  Al  Al65  1  0.354038  0.021093  0.404975  1
  Al  Al66  1  0.414843  0.415226  0.353052  1
  Al  Al67  1  0.687371  0.687760  0.404975  1
  Al  Al68  1  0.748177  0.081892  0.353052  1
  Al  Al69  1  0.718153  0.385200  0.379683  1
  Al  Al70  1  0.081510  0.748559  0.353052  1
  Al  Al71  1  0.051486  0.051867  0.379683  1
  Al  Al72  1  0.384820  0.718533  0.379683  1
  Al  Al73  1  0.823683  0.324075  0.431050  1
  Al  Al74  1  0.157016  0.990742  0.431050  1
  Al  Al75  1  0.126452  0.293517  0.456659  1
  Al  Al76  1  0.490349  0.657408  0.431050  1
  Al  Al77  1  0.459786  0.960184  0.456659  1
  Al  Al78  1  0.429356  0.263092  0.482546  1
  Al  Al79  1  0.793119  0.626850  0.456659  1
  Al  Al80  1  0.762689  0.929759  0.482546  1
  Al  Al81  1  0.096023  0.596425  0.482546  1
  Al  Al82  1  0.990349  0.157408  0.431050  1
  Al  Al83  1  0.323683  0.824075  0.431050  1
  Al  Al84  1  0.293119  0.126850  0.456659  1
  Al  Al85  1  0.657016  0.490742  0.431050  1
  Al  Al86  1  0.626452  0.793517  0.456659  1
  Al  Al87  1  0.596023  0.096425  0.482546  1
  Al  Al88  1  0.959786  0.460184  0.456659  1
  Al  Al89  1  0.929356  0.763092  0.482546  1
  Al  Al90  1  0.262689  0.429759  0.482546  1
  Al  Al91  1  0.793119  0.126850  0.456659  1
  Al  Al92  1  0.126452  0.793517  0.456659  1
  Al  Al93  1  0.096023  0.096425  0.482546  1
  Al  Al94  1  0.459786  0.460184  0.456659  1
  Al  Al95  1  0.429356  0.763092  0.482546  1
  Al  Al96  1  0.490349  0.157408  0.431050  1
  Al  Al97  1  0.762689  0.429759  0.482546  1
  Al  Al98  1  0.823683  0.824075  0.431050  1
  Al  Al99  1  0.157016  0.490742  0.431050  1
  Al  Al100  1  0.929356  0.263092  0.482546  1
  Al  Al101  1  0.262689  0.929759  0.482546  1
  Al  Al102  1  0.323683  0.324075  0.431050  1
  Al  Al103  1  0.596023  0.596425  0.482546  1
  Al  Al104  1  0.657016  0.990742  0.431050  1
  Al  Al105  1  0.626452  0.293517  0.456659  1
  Al  Al106  1  0.990349  0.657408  0.431050  1
  Al  Al107  1  0.959786  0.960184  0.456659  1
  Al  Al108  1  0.293119  0.626850  0.456659  1
  Al  Al109  1  0.732160  0.232567  0.508226  1
  Al  Al110  1  0.065493  0.899234  0.508226  1
  Al  Al111  1  0.035064  0.202143  0.534113  1
  Al  Al112  1  0.398827  0.565901  0.508226  1
  Al  Al113  1  0.368397  0.868809  0.534113  1
  Al  Al114  1  0.337834  0.171584  0.559722  1
  Al  Al115  1  0.701731  0.535476  0.534113  1
  Al  Al116  1  0.671167  0.838251  0.559722  1
  Al  Al117  1  1.004500  0.504918  0.559722  1
  Al  Al118  1  0.898827  0.065901  0.508226  1
  Al  Al119  1  0.232160  0.732567  0.508226  1
  Al  Al120  1  0.201731  0.035476  0.534113  1
  Al  Al121  1  0.565493  0.399234  0.508226  1
  Al  Al122  1  0.535064  0.702143  0.534113  1
  Al  Al123  1  0.504500  1.004918  0.559722  1
  Al  Al124  1  0.868397  0.368809  0.534113  1
  Al  Al125  1  0.837834  0.671584  0.559722  1
  Al  Al126  1  0.171167  0.338251  0.559722  1
  Al  Al127  1  0.701731  0.035476  0.534113  1
  Al  Al128  1  0.035064  0.702143  0.534113  1
  Al  Al129  1  1.004500  1.004918  0.559722  1
  Al  Al130  1  0.368397  0.368809  0.534113  1
  Al  Al131  1  0.337834  0.671584  0.559722  1
  Al  Al132  1  0.398827  0.065901  0.508226  1
  Al  Al133  1  0.671167  0.338251  0.559722  1
  Al  Al134  1  0.732160  0.732567  0.508226  1
  Al  Al135  1  0.065493  0.399234  0.508226  1
  Al  Al136  1  0.837834  0.171584  0.559722  1
  Al  Al137  1  0.171167  0.838251  0.559722  1
  Al  Al138  1  0.232160  0.232567  0.508226  1
  Al  Al139  1  0.504500  0.504918  0.559722  1
  Al  Al140  1  0.565493  0.899234  0.508226  1
  Al  Al141  1  0.535064  0.202143  0.534113  1
  Al  Al142  1  0.898827  0.565901  0.508226  1
  Al  Al143  1  0.868397  0.868809  0.534113  1
  Al  Al144  1  0.201731  0.535476  0.534113  1
  Al  Al145  1  0.640812  0.141233  0.585798  1
  Al  Al146  1  0.974145  0.807900  0.585798  1
  Al  Al147  1  0.943363  0.110459  0.611089  1
  Al  Al148  1  0.307478  0.474566  0.585798  1
  Al  Al149  1  0.276697  0.777126  0.611089  1
  Al  Al150  1  0.246673  0.080434  0.637721  1
  Al  Al151  1  0.610030  0.443793  0.611089  1
  Al  Al152  1  0.580006  0.747101  0.637721  1
  Al  Al153  1  0.913340  0.413767  0.637721  1
  Al  Al154  1  0.807478  0.974566  0.585798  1
  Al  Al155  1  0.140812  0.641233  0.585798  1
  Al  Al156  1  0.110030  0.943793  0.611089  1
  Al  Al157  1  0.474145  0.307900  0.585798  1
  Al  Al158  1  0.443363  0.610459  0.611089  1
  Al  Al159  1  0.413340  0.913767  0.637721  1
  Al  Al160  1  0.776697  0.277126  0.611089  1
  Al  Al161  1  0.746673  0.580434  0.637721  1
  Al  Al162  1  0.080006  0.247101  0.637721  1
  Al  Al163  1  0.610030  0.943793  0.611089  1
  Al  Al164  1  0.943363  0.610459  0.611089  1
  Al  Al165  1  0.913340  0.913767  0.637721  1
  Al  Al166  1  0.276697  0.277126  0.611089  1
  Al  Al167  1  0.246673  0.580434  0.637721  1
  Al  Al168  1  0.307478  0.974566  0.585798  1
  Al  Al169  1  0.580006  0.247101  0.637721  1
  Al  Al170  1  0.640812  0.641233  0.585798  1
  Al  Al171  1  0.974145  0.307900  0.585798  1
  Al  Al172  1  0.746673  0.080434  0.637721  1
  Al  Al173  1  0.080006  0.747101  0.637721  1
  Al  Al174  1  0.140812  0.141233  0.585798  1
  Al  Al175  1  0.413340  0.413767  0.637721  1
  Al  Al176  1  0.474145  0.807900  0.585798  1
  Al  Al177  1  0.443363  0.110459  0.611089  1
  Al  Al178  1  0.807478  0.474566  0.585798  1
  Al  Al179  1  0.776697  0.777126  0.611089  1
  Al  Al180  1  0.110030  0.443793  0.611089  1
  Al  Al181  1  0.549242  0.049683  0.661587  1
  Al  Al182  1  0.882575  0.716350  0.661587  1
  Al  Al183  1  0.853765  0.020862  0.689356  1
  Al  Al184  1  0.215909  0.383016  0.661587  1
  Al  Al185  1  0.187098  0.687529  0.689356  1
  Al  Al186  1  0.155345  0.989138  0.711407  1
  Al  Al187  1  0.520431  0.354195  0.689356  1
  Al  Al188  1  0.488678  0.655804  0.711407  1
  Al  Al189  1  0.822011  0.322471  0.711407  1
  Al  Al190  1  0.715909  0.883016  0.661587  1
  Al  Al191  1  0.049242  0.549683  0.661587  1
  Al  Al192  1  0.020431  0.854195  0.689356  1
  Al  Al193  1  0.382575  0.216350  0.661587  1
  Al  Al194  1  0.353765  0.520862  0.689356  1
  Al  Al195  1  0.322011  0.822471  0.711407  1
  Al  Al196  1  0.687098  0.187529  0.689356  1
  Al  Al197  1  0.655345  0.489138  0.711407  1
  Al  Al198  1  0.988678  0.155804  0.711407  1
  Al  Al199  1  0.520431  0.854195  0.689356  1
  Al  Al200  1  0.853765  0.520862  0.689356  1
  Al  Al201  1  0.822011  0.822471  0.711407  1
  Al  Al202  1  0.187098  0.187529  0.689356  1
  Al  Al203  1  0.155345  0.489138  0.711407  1
  Al  Al204  1  0.215909  0.883016  0.661587  1
  Al  Al205  1  0.488678  0.155804  0.711407  1
  Al  Al206  1  0.549242  0.549683  0.661587  1
  Al  Al207  1  0.882575  0.216350  0.661587  1
  Al  Al208  1  0.655345  0.989138  0.711407  1
  Al  Al209  1  0.988678  0.655804  0.711407  1
  Al  Al210  1  0.049242  0.049683  0.661587  1
  Al  Al211  1  0.322011  0.322471  0.711407  1
  Al  Al212  1  0.382575  0.716350  0.661587  1
  Al  Al213  1  0.353765  0.020862  0.689356  1
  Al  Al214  1  0.715909  0.383016  0.661587  1
  Al  Al215  1  0.687098  0.687529  0.689356  1
  Al  Al216  1  0.020431  0.354195  0.689356  1
