# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71153171
_cell_length_b   12.71472819
_cell_length_c   47.85499291
_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   7695.72994591
_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  1.002635  0.336164  0.280011  1
  Al  Al2  1  0.335968  1.002831  0.280011  1
  Al  Al3  1  0.305481  0.305708  0.304814  1
  Al  Al4  1  0.669301  0.669497  0.280011  1
  Al  Al5  1  0.638815  0.972374  0.304814  1
  Al  Al6  1  0.609833  0.276718  0.331181  1
  Al  Al7  1  0.972148  0.639041  0.304814  1
  Al  Al8  1  0.943166  0.943385  0.331181  1
  Al  Al9  1  0.276499  0.610052  0.331181  1
  Al  Al10  1  0.138815  0.472374  0.304814  1
  Al  Al11  1  0.472148  0.139041  0.304814  1
  Al  Al12  1  0.443166  0.443385  0.331181  1
  Al  Al13  1  0.805481  0.805708  0.304814  1
  Al  Al14  1  0.776499  0.110052  0.331181  1
  Al  Al15  1  0.835968  0.502831  0.280011  1
  Al  Al16  1  0.109833  0.776718  0.331181  1
  Al  Al17  1  0.169301  0.169497  0.280011  1
  Al  Al18  1  0.502635  0.836164  0.280011  1
  Al  Al19  1  0.943166  0.443385  0.331181  1
  Al  Al20  1  0.276499  0.110052  0.331181  1
  Al  Al21  1  0.335968  0.502831  0.280011  1
  Al  Al22  1  0.609833  0.776718  0.331181  1
  Al  Al23  1  0.669301  0.169497  0.280011  1
  Al  Al24  1  0.638815  0.472374  0.304814  1
  Al  Al25  1  1.002635  0.836164  0.280011  1
  Al  Al26  1  0.972148  0.139041  0.304814  1
  Al  Al27  1  0.305481  0.805708  0.304814  1
  Al  Al28  1  0.109833  0.276718  0.331181  1
  Al  Al29  1  0.443166  0.943385  0.331181  1
  Al  Al30  1  0.502635  0.336164  0.280011  1
  Al  Al31  1  0.776499  0.610052  0.331181  1
  Al  Al32  1  0.835968  1.002831  0.280011  1
  Al  Al33  1  0.805481  0.305708  0.304814  1
  Al  Al34  1  0.169301  0.669497  0.280011  1
  Al  Al35  1  0.138815  0.972374  0.304814  1
  Al  Al36  1  0.472148  0.639041  0.304814  1
  Al  Al37  1  0.912949  0.246507  0.356008  1
  Al  Al38  1  0.246282  0.913174  0.356008  1
  Al  Al39  1  0.216110  0.216335  0.382004  1
  Al  Al40  1  0.579615  0.579840  0.356008  1
  Al  Al41  1  0.549443  0.883002  0.382004  1
  Al  Al42  1  0.518899  0.185794  0.407534  1
  Al  Al43  1  0.882776  0.549669  0.382004  1
  Al  Al44  1  0.852232  0.852461  0.407534  1
  Al  Al45  1  0.185565  0.519128  0.407534  1
  Al  Al46  1  0.049443  0.383002  0.382004  1
  Al  Al47  1  0.382776  0.049669  0.382004  1
  Al  Al48  1  0.352232  0.352461  0.407534  1
  Al  Al49  1  0.716110  0.716335  0.382004  1
  Al  Al50  1  0.685565  0.019128  0.407534  1
  Al  Al51  1  0.746282  0.413174  0.356008  1
  Al  Al52  1  0.018899  0.685794  0.407534  1
  Al  Al53  1  0.079615  0.079840  0.356008  1
  Al  Al54  1  0.412949  0.746507  0.356008  1
  Al  Al55  1  0.852232  0.352461  0.407534  1
  Al  Al56  1  0.185565  0.019128  0.407534  1
  Al  Al57  1  0.246282  0.413174  0.356008  1
  Al  Al58  1  0.518899  0.685794  0.407534  1
  Al  Al59  1  0.579615  0.079840  0.356008  1
  Al  Al60  1  0.549443  0.383002  0.382004  1
  Al  Al61  1  0.912949  0.746507  0.356008  1
  Al  Al62  1  0.882776  0.049669  0.382004  1
  Al  Al63  1  0.216110  0.716335  0.382004  1
  Al  Al64  1  0.018899  0.185794  0.407534  1
  Al  Al65  1  0.352232  0.852461  0.407534  1
  Al  Al66  1  0.412949  0.246507  0.356008  1
  Al  Al67  1  0.685565  0.519128  0.407534  1
  Al  Al68  1  0.746282  0.913174  0.356008  1
  Al  Al69  1  0.716110  0.216335  0.382004  1
  Al  Al70  1  0.079615  0.579840  0.356008  1
  Al  Al71  1  0.049443  0.883002  0.382004  1
  Al  Al72  1  0.382776  0.549669  0.382004  1
  Al  Al73  1  0.821853  0.155417  0.433333  1
  Al  Al74  1  0.155186  0.822084  0.433333  1
  Al  Al75  1  0.124756  0.124989  0.459003  1
  Al  Al76  1  0.488520  0.488751  0.433333  1
  Al  Al77  1  0.458089  0.791656  0.459003  1
  Al  Al78  1  0.427698  0.094600  0.484737  1
  Al  Al79  1  0.791422  0.458323  0.459003  1
  Al  Al80  1  0.761031  0.761267  0.484737  1
  Al  Al81  1  0.094364  0.427934  0.484737  1
  Al  Al82  1  0.958089  0.291656  0.459003  1
  Al  Al83  1  0.291422  0.958323  0.459003  1
  Al  Al84  1  0.261031  0.261267  0.484737  1
  Al  Al85  1  0.624756  0.624989  0.459003  1
  Al  Al86  1  0.594364  0.927934  0.484737  1
  Al  Al87  1  0.655186  0.322084  0.433333  1
  Al  Al88  1  0.927698  0.594600  0.484737  1
  Al  Al89  1  0.988520  0.988751  0.433333  1
  Al  Al90  1  0.321853  0.655417  0.433333  1
  Al  Al91  1  0.761031  0.261267  0.484737  1
  Al  Al92  1  0.094364  0.927934  0.484737  1
  Al  Al93  1  0.155186  0.322084  0.433333  1
  Al  Al94  1  0.427698  0.594600  0.484737  1
  Al  Al95  1  0.488520  0.988751  0.433333  1
  Al  Al96  1  0.458089  0.291656  0.459003  1
  Al  Al97  1  0.821853  0.655417  0.433333  1
  Al  Al98  1  0.791422  0.958323  0.459003  1
  Al  Al99  1  0.124756  0.624989  0.459003  1
  Al  Al100  1  0.927698  0.094600  0.484737  1
  Al  Al101  1  0.261031  0.761267  0.484737  1
  Al  Al102  1  0.321853  0.155417  0.433333  1
  Al  Al103  1  0.594364  0.427934  0.484737  1
  Al  Al104  1  0.655186  0.822084  0.433333  1
  Al  Al105  1  0.624756  0.124989  0.459003  1
  Al  Al106  1  0.988520  0.488751  0.433333  1
  Al  Al107  1  0.958089  0.791656  0.459003  1
  Al  Al108  1  0.291422  0.458323  0.459003  1
  Al  Al109  1  0.730618  0.064189  0.510430  1
  Al  Al110  1  0.063951  0.730856  0.510430  1
  Al  Al111  1  0.033560  0.033801  0.536164  1
  Al  Al112  1  0.397284  0.397523  0.510430  1
  Al  Al113  1  0.366893  0.700467  0.536164  1
  Al  Al114  1  0.336463  1.003373  0.561834  1
  Al  Al115  1  0.700227  0.367134  0.536164  1
  Al  Al116  1  0.669796  0.670039  0.561834  1
  Al  Al117  1  1.003129  0.336706  0.561834  1
  Al  Al118  1  0.866893  0.200467  0.536164  1
  Al  Al119  1  0.200227  0.867134  0.536164  1
  Al  Al120  1  0.169796  0.170039  0.561834  1
  Al  Al121  1  0.533560  0.533801  0.536164  1
  Al  Al122  1  0.503129  0.836706  0.561834  1
  Al  Al123  1  0.563951  0.230856  0.510430  1
  Al  Al124  1  0.836463  0.503373  0.561834  1
  Al  Al125  1  0.897284  0.897523  0.510430  1
  Al  Al126  1  0.230618  0.564189  0.510430  1
  Al  Al127  1  0.669796  0.170039  0.561834  1
  Al  Al128  1  1.003129  0.836706  0.561834  1
  Al  Al129  1  0.063951  0.230856  0.510430  1
  Al  Al130  1  0.336463  0.503373  0.561834  1
  Al  Al131  1  0.397284  0.897523  0.510430  1
  Al  Al132  1  0.366893  0.200467  0.536164  1
  Al  Al133  1  0.730618  0.564189  0.510430  1
  Al  Al134  1  0.700227  0.867134  0.536164  1
  Al  Al135  1  0.033560  0.533801  0.536164  1
  Al  Al136  1  0.836463  1.003373  0.561834  1
  Al  Al137  1  0.169796  0.670039  0.561834  1
  Al  Al138  1  0.230618  0.064189  0.510430  1
  Al  Al139  1  0.503129  0.336706  0.561834  1
  Al  Al140  1  0.563951  0.730856  0.510430  1
  Al  Al141  1  0.533560  0.033801  0.536164  1
  Al  Al142  1  0.897284  0.397523  0.510430  1
  Al  Al143  1  0.866893  0.700467  0.536164  1
  Al  Al144  1  0.200227  0.367134  0.536164  1
  Al  Al145  1  0.639417  0.972996  0.587633  1
  Al  Al146  1  0.972750  0.639662  0.587633  1
  Al  Al147  1  0.942206  0.942455  0.613163  1
  Al  Al148  1  0.306084  0.306329  0.587633  1
  Al  Al149  1  0.275539  0.609121  0.613163  1
  Al  Al150  1  0.245367  0.912283  0.639159  1
  Al  Al151  1  0.608873  0.275788  0.613163  1
  Al  Al152  1  0.578700  0.578950  0.639159  1
  Al  Al153  1  0.912034  0.245616  0.639159  1
  Al  Al154  1  0.775539  0.109121  0.613163  1
  Al  Al155  1  0.108873  0.775788  0.613163  1
  Al  Al156  1  0.078700  0.078950  0.639159  1
  Al  Al157  1  0.442206  0.442455  0.613163  1
  Al  Al158  1  0.412034  0.745616  0.639159  1
  Al  Al159  1  0.472750  0.139662  0.587633  1
  Al  Al160  1  0.745367  0.412283  0.639159  1
  Al  Al161  1  0.806084  0.806329  0.587633  1
  Al  Al162  1  0.139417  0.472996  0.587633  1
  Al  Al163  1  0.578700  0.078950  0.639159  1
  Al  Al164  1  0.912034  0.745616  0.639159  1
  Al  Al165  1  0.972750  0.139662  0.587633  1
  Al  Al166  1  0.245367  0.412283  0.639159  1
  Al  Al167  1  0.306084  0.806329  0.587633  1
  Al  Al168  1  0.275539  0.109121  0.613163  1
  Al  Al169  1  0.639417  0.472996  0.587633  1
  Al  Al170  1  0.608873  0.775788  0.613163  1
  Al  Al171  1  0.942206  0.442455  0.613163  1
  Al  Al172  1  0.745367  0.912283  0.639159  1
  Al  Al173  1  0.078700  0.578950  0.639159  1
  Al  Al174  1  0.139417  0.972996  0.587633  1
  Al  Al175  1  0.412034  0.245616  0.639159  1
  Al  Al176  1  0.472750  0.639662  0.587633  1
  Al  Al177  1  0.442206  0.942455  0.613163  1
  Al  Al178  1  0.806084  0.306329  0.587633  1
  Al  Al179  1  0.775539  0.609121  0.613163  1
  Al  Al180  1  0.108873  0.275788  0.613163  1
  Al  Al181  1  0.548483  0.882072  0.663986  1
  Al  Al182  1  0.881816  0.548738  0.663986  1
  Al  Al183  1  0.852834  0.853082  0.690353  1
  Al  Al184  1  0.215149  0.215405  0.663986  1
  Al  Al185  1  0.186168  0.519749  0.690353  1
  Al  Al186  1  0.155681  0.822626  0.715156  1
  Al  Al187  1  0.519501  0.186416  0.690353  1
  Al  Al188  1  0.489014  0.489293  0.715156  1
  Al  Al189  1  0.822348  0.155959  0.715156  1
  Al  Al190  1  0.686168  0.019749  0.690353  1
  Al  Al191  1  0.019501  0.686416  0.690353  1
  Al  Al192  1  0.989014  0.989293  0.715156  1
  Al  Al193  1  0.352834  0.353082  0.690353  1
  Al  Al194  1  0.322348  0.655959  0.715156  1
  Al  Al195  1  0.381816  0.048738  0.663986  1
  Al  Al196  1  0.655681  0.322626  0.715156  1
  Al  Al197  1  0.715149  0.715405  0.663986  1
  Al  Al198  1  0.048483  0.382072  0.663986  1
  Al  Al199  1  0.489014  0.989293  0.715156  1
  Al  Al200  1  0.822348  0.655959  0.715156  1
  Al  Al201  1  0.881816  0.048738  0.663986  1
  Al  Al202  1  0.155681  0.322626  0.715156  1
  Al  Al203  1  0.215149  0.715405  0.663986  1
  Al  Al204  1  0.186168  0.019749  0.690353  1
  Al  Al205  1  0.548483  0.382072  0.663986  1
  Al  Al206  1  0.519501  0.686416  0.690353  1
  Al  Al207  1  0.852834  0.353082  0.690353  1
  Al  Al208  1  0.655681  0.822626  0.715156  1
  Al  Al209  1  0.989014  0.489293  0.715156  1
  Al  Al210  1  0.048483  0.882072  0.663986  1
  Al  Al211  1  0.322348  0.155959  0.715156  1
  Al  Al212  1  0.381816  0.548738  0.663986  1
  Al  Al213  1  0.352834  0.853082  0.690353  1
  Al  Al214  1  0.715149  0.215405  0.663986  1
  Al  Al215  1  0.686168  0.519749  0.690353  1
  Al  Al216  1  0.019501  0.186416  0.690353  1
