# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78856956
_cell_length_b   12.78881800
_cell_length_c   48.30206168
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7860.23702536
_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  0.006416  0.506864  0.281175  1
  Al  Al2  1  0.339749  0.173530  0.281175  1
  Al  Al3  1  0.308145  0.475262  0.303083  1
  Al  Al4  1  0.673082  0.840197  0.281175  1
  Al  Al5  1  0.641478  0.141928  0.303083  1
  Al  Al6  1  0.612341  0.446124  0.330465  1
  Al  Al7  1  0.974811  0.808595  0.303083  1
  Al  Al8  1  0.945675  0.112791  0.330465  1
  Al  Al9  1  0.279008  0.779458  0.330465  1
  Al  Al10  1  0.173082  0.340197  0.281175  1
  Al  Al11  1  0.506416  0.006864  0.281175  1
  Al  Al12  1  0.474811  0.308595  0.303083  1
  Al  Al13  1  0.839749  0.673530  0.281175  1
  Al  Al14  1  0.808145  0.975262  0.303083  1
  Al  Al15  1  0.779008  0.279458  0.330465  1
  Al  Al16  1  0.141478  0.641928  0.303083  1
  Al  Al17  1  0.112341  0.946124  0.330465  1
  Al  Al18  1  0.445675  0.612791  0.330465  1
  Al  Al19  1  0.974811  0.308595  0.303083  1
  Al  Al20  1  0.308145  0.975262  0.303083  1
  Al  Al21  1  0.279008  0.279458  0.330465  1
  Al  Al22  1  0.641478  0.641928  0.303083  1
  Al  Al23  1  0.612341  0.946124  0.330465  1
  Al  Al24  1  0.673082  0.340197  0.281175  1
  Al  Al25  1  0.945675  0.612791  0.330465  1
  Al  Al26  1  0.006416  0.006864  0.281175  1
  Al  Al27  1  0.339749  0.673530  0.281175  1
  Al  Al28  1  0.112341  0.446124  0.330465  1
  Al  Al29  1  0.445675  0.112791  0.330465  1
  Al  Al30  1  0.506416  0.506864  0.281175  1
  Al  Al31  1  0.779008  0.779458  0.330465  1
  Al  Al32  1  0.839749  0.173530  0.281175  1
  Al  Al33  1  0.808145  0.475262  0.303083  1
  Al  Al34  1  0.173082  0.840197  0.281175  1
  Al  Al35  1  0.141478  0.141928  0.303083  1
  Al  Al36  1  0.474811  0.808595  0.303083  1
  Al  Al37  1  0.914878  0.415329  0.354674  1
  Al  Al38  1  0.248211  0.081995  0.354674  1
  Al  Al39  1  0.217886  0.385003  0.381101  1
  Al  Al40  1  0.581545  0.748662  0.354674  1
  Al  Al41  1  0.551219  0.051670  0.381101  1
  Al  Al42  1  0.520390  0.354175  0.406537  1
  Al  Al43  1  0.884552  0.718337  0.381101  1
  Al  Al44  1  0.853723  0.020841  0.406537  1
  Al  Al45  1  0.187056  0.687508  0.406537  1
  Al  Al46  1  0.081545  0.248662  0.354674  1
  Al  Al47  1  0.414878  0.915329  0.354674  1
  Al  Al48  1  0.384552  0.218337  0.381101  1
  Al  Al49  1  0.748211  0.581995  0.354674  1
  Al  Al50  1  0.717886  0.885003  0.381101  1
  Al  Al51  1  0.687056  0.187508  0.406537  1
  Al  Al52  1  0.051219  0.551670  0.381101  1
  Al  Al53  1  0.020390  0.854175  0.406537  1
  Al  Al54  1  0.353723  0.520841  0.406537  1
  Al  Al55  1  0.884552  0.218337  0.381101  1
  Al  Al56  1  0.217886  0.885003  0.381101  1
  Al  Al57  1  0.187056  0.187508  0.406537  1
  Al  Al58  1  0.551219  0.551670  0.381101  1
  Al  Al59  1  0.520390  0.854175  0.406537  1
  Al  Al60  1  0.581545  0.248662  0.354674  1
  Al  Al61  1  0.853723  0.520841  0.406537  1
  Al  Al62  1  0.914878  0.915329  0.354674  1
  Al  Al63  1  0.248211  0.581995  0.354674  1
  Al  Al64  1  0.020390  0.354175  0.406537  1
  Al  Al65  1  0.353723  0.020841  0.406537  1
  Al  Al66  1  0.414878  0.415329  0.354674  1
  Al  Al67  1  0.687056  0.687508  0.406537  1
  Al  Al68  1  0.748211  0.081995  0.354674  1
  Al  Al69  1  0.717886  0.385003  0.381101  1
  Al  Al70  1  0.081545  0.748662  0.354674  1
  Al  Al71  1  0.051219  0.051670  0.381101  1
  Al  Al72  1  0.384552  0.718337  0.381101  1
  Al  Al73  1  0.823183  0.323636  0.432498  1
  Al  Al74  1  0.156517  0.990302  0.432498  1
  Al  Al75  1  0.125850  0.292969  0.458153  1
  Al  Al76  1  0.489850  0.656969  0.432498  1
  Al  Al77  1  0.459183  0.959636  0.458153  1
  Al  Al78  1  0.428594  0.262380  0.483979  1
  Al  Al79  1  0.792516  0.626302  0.458153  1
  Al  Al80  1  0.761927  0.929047  0.483979  1
  Al  Al81  1  0.095261  0.595714  0.483979  1
  Al  Al82  1  0.989850  0.156969  0.432498  1
  Al  Al83  1  0.323183  0.823636  0.432498  1
  Al  Al84  1  0.292516  0.126302  0.458153  1
  Al  Al85  1  0.656517  0.490302  0.432498  1
  Al  Al86  1  0.625850  0.792969  0.458153  1
  Al  Al87  1  0.595261  0.095714  0.483979  1
  Al  Al88  1  0.959183  0.459636  0.458153  1
  Al  Al89  1  0.928594  0.762380  0.483979  1
  Al  Al90  1  0.261927  0.429047  0.483979  1
  Al  Al91  1  0.792516  0.126302  0.458153  1
  Al  Al92  1  0.125850  0.792969  0.458153  1
  Al  Al93  1  0.095261  0.095714  0.483979  1
  Al  Al94  1  0.459183  0.459636  0.458153  1
  Al  Al95  1  0.428594  0.762380  0.483979  1
  Al  Al96  1  0.489850  0.156969  0.432498  1
  Al  Al97  1  0.761927  0.429047  0.483979  1
  Al  Al98  1  0.823183  0.823636  0.432498  1
  Al  Al99  1  0.156517  0.490302  0.432498  1
  Al  Al100  1  0.928594  0.262380  0.483979  1
  Al  Al101  1  0.261927  0.929047  0.483979  1
  Al  Al102  1  0.323183  0.323636  0.432498  1
  Al  Al103  1  0.595261  0.595714  0.483979  1
  Al  Al104  1  0.656517  0.990302  0.432498  1
  Al  Al105  1  0.625850  0.292969  0.458153  1
  Al  Al106  1  0.989850  0.656969  0.432498  1
  Al  Al107  1  0.959183  0.959636  0.458153  1
  Al  Al108  1  0.292516  0.626302  0.458153  1
  Al  Al109  1  0.731281  0.231735  0.509684  1
  Al  Al110  1  0.064614  0.898401  0.509684  1
  Al  Al111  1  0.034025  0.201146  0.535510  1
  Al  Al112  1  0.397947  0.565068  0.509684  1
  Al  Al113  1  0.367358  0.867813  0.535510  1
  Al  Al114  1  0.336691  0.170480  0.561164  1
  Al  Al115  1  0.700692  0.534479  0.535510  1
  Al  Al116  1  0.670025  0.837146  0.561164  1
  Al  Al117  1  1.003358  0.503813  0.561164  1
  Al  Al118  1  0.897947  0.065068  0.509684  1
  Al  Al119  1  0.231281  0.731735  0.509684  1
  Al  Al120  1  0.200692  0.034479  0.535510  1
  Al  Al121  1  0.564614  0.398401  0.509684  1
  Al  Al122  1  0.534025  0.701146  0.535510  1
  Al  Al123  1  0.503358  1.003813  0.561164  1
  Al  Al124  1  0.867358  0.367813  0.535510  1
  Al  Al125  1  0.836691  0.670480  0.561164  1
  Al  Al126  1  0.170025  0.337146  0.561164  1
  Al  Al127  1  0.700692  0.034479  0.535510  1
  Al  Al128  1  0.034025  0.701146  0.535510  1
  Al  Al129  1  1.003358  1.003813  0.561164  1
  Al  Al130  1  0.367358  0.367813  0.535510  1
  Al  Al131  1  0.336691  0.670480  0.561164  1
  Al  Al132  1  0.397947  0.065068  0.509684  1
  Al  Al133  1  0.670025  0.337146  0.561164  1
  Al  Al134  1  0.731281  0.731735  0.509684  1
  Al  Al135  1  0.064614  0.398401  0.509684  1
  Al  Al136  1  0.836691  0.170480  0.561164  1
  Al  Al137  1  0.170025  0.837146  0.561164  1
  Al  Al138  1  0.231281  0.231735  0.509684  1
  Al  Al139  1  0.503358  0.503813  0.561164  1
  Al  Al140  1  0.564614  0.898401  0.509684  1
  Al  Al141  1  0.534025  0.201146  0.535510  1
  Al  Al142  1  0.897947  0.565068  0.509684  1
  Al  Al143  1  0.867358  0.867813  0.535510  1
  Al  Al144  1  0.200692  0.534479  0.535510  1
  Al  Al145  1  0.639485  0.139940  0.587125  1
  Al  Al146  1  0.972818  0.806607  0.587125  1
  Al  Al147  1  0.941989  0.109112  0.612561  1
  Al  Al148  1  0.306152  0.473274  0.587125  1
  Al  Al149  1  0.275322  0.775778  0.612561  1
  Al  Al150  1  0.244997  0.078786  0.638989  1
  Al  Al151  1  0.608656  0.442445  0.612561  1
  Al  Al152  1  0.578330  0.745453  0.638989  1
  Al  Al153  1  0.911663  0.412120  0.638989  1
  Al  Al154  1  0.806152  0.973274  0.587125  1
  Al  Al155  1  0.139485  0.639940  0.587125  1
  Al  Al156  1  0.108656  0.942445  0.612561  1
  Al  Al157  1  0.472818  0.306607  0.587125  1
  Al  Al158  1  0.441989  0.609112  0.612561  1
  Al  Al159  1  0.411663  0.912120  0.638989  1
  Al  Al160  1  0.775322  0.275778  0.612561  1
  Al  Al161  1  0.744997  0.578786  0.638989  1
  Al  Al162  1  0.078330  0.245453  0.638989  1
  Al  Al163  1  0.608656  0.942445  0.612561  1
  Al  Al164  1  0.941989  0.609112  0.612561  1
  Al  Al165  1  0.911663  0.912120  0.638989  1
  Al  Al166  1  0.275322  0.275778  0.612561  1
  Al  Al167  1  0.244997  0.578786  0.638989  1
  Al  Al168  1  0.306152  0.973274  0.587125  1
  Al  Al169  1  0.578330  0.245453  0.638989  1
  Al  Al170  1  0.639485  0.639940  0.587125  1
  Al  Al171  1  0.972818  0.306607  0.587125  1
  Al  Al172  1  0.744997  0.078786  0.638989  1
  Al  Al173  1  0.078330  0.745453  0.638989  1
  Al  Al174  1  0.139485  0.139940  0.587125  1
  Al  Al175  1  0.411663  0.412120  0.638989  1
  Al  Al176  1  0.472818  0.806607  0.587125  1
  Al  Al177  1  0.441989  0.109112  0.612561  1
  Al  Al178  1  0.806152  0.473274  0.587125  1
  Al  Al179  1  0.775322  0.775778  0.612561  1
  Al  Al180  1  0.108656  0.442445  0.612561  1
  Al  Al181  1  0.547533  0.047991  0.663197  1
  Al  Al182  1  0.880867  0.714657  0.663197  1
  Al  Al183  1  0.851730  0.018853  0.690579  1
  Al  Al184  1  0.214200  0.381324  0.663197  1
  Al  Al185  1  0.185063  0.685520  0.690579  1
  Al  Al186  1  0.153459  0.987251  0.712487  1
  Al  Al187  1  0.518397  0.352187  0.690579  1
  Al  Al188  1  0.486792  0.653918  0.712487  1
  Al  Al189  1  0.820126  0.320585  0.712487  1
  Al  Al190  1  0.714200  0.881324  0.663197  1
  Al  Al191  1  0.047533  0.547991  0.663197  1
  Al  Al192  1  0.018397  0.852187  0.690579  1
  Al  Al193  1  0.380867  0.214657  0.663197  1
  Al  Al194  1  0.351730  0.518853  0.690579  1
  Al  Al195  1  0.320126  0.820585  0.712487  1
  Al  Al196  1  0.685063  0.185520  0.690579  1
  Al  Al197  1  0.653459  0.487251  0.712487  1
  Al  Al198  1  0.986792  0.153918  0.712487  1
  Al  Al199  1  0.518397  0.852187  0.690579  1
  Al  Al200  1  0.851730  0.518853  0.690579  1
  Al  Al201  1  0.820126  0.820585  0.712487  1
  Al  Al202  1  0.185063  0.185520  0.690579  1
  Al  Al203  1  0.153459  0.487251  0.712487  1
  Al  Al204  1  0.214200  0.881324  0.663197  1
  Al  Al205  1  0.486792  0.153918  0.712487  1
  Al  Al206  1  0.547533  0.547991  0.663197  1
  Al  Al207  1  0.880867  0.214657  0.663197  1
  Al  Al208  1  0.653459  0.987251  0.712487  1
  Al  Al209  1  0.986792  0.653918  0.712487  1
  Al  Al210  1  0.047533  0.047991  0.663197  1
  Al  Al211  1  0.320126  0.320585  0.712487  1
  Al  Al212  1  0.380867  0.714657  0.663197  1
  Al  Al213  1  0.351730  0.018853  0.690579  1
  Al  Al214  1  0.714200  0.381324  0.663197  1
  Al  Al215  1  0.685063  0.685520  0.690579  1
  Al  Al216  1  0.018397  0.352187  0.690579  1
