# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70369121
_cell_length_b   12.70322691
_cell_length_c   47.67785399
_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   7655.58320813
_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  0.004850  0.338555  0.282958  1
  Al  Al2  1  0.338183  0.005222  0.282958  1
  Al  Al3  1  0.306841  0.307210  0.305814  1
  Al  Al4  1  0.671516  0.671889  0.282958  1
  Al  Al5  1  0.640174  0.973877  0.305814  1
  Al  Al6  1  0.610265  0.277302  0.332067  1
  Al  Al7  1  0.973507  0.640543  0.305814  1
  Al  Al8  1  0.943598  0.943969  0.332067  1
  Al  Al9  1  0.276931  0.610636  0.332067  1
  Al  Al10  1  0.140174  0.473877  0.305814  1
  Al  Al11  1  0.473507  0.140543  0.305814  1
  Al  Al12  1  0.443598  0.443969  0.332067  1
  Al  Al13  1  0.806841  0.807210  0.305814  1
  Al  Al14  1  0.776931  0.110636  0.332067  1
  Al  Al15  1  0.838183  0.505222  0.282958  1
  Al  Al16  1  0.110265  0.777302  0.332067  1
  Al  Al17  1  0.171516  0.171889  0.282958  1
  Al  Al18  1  0.504850  0.838555  0.282958  1
  Al  Al19  1  0.943598  0.443969  0.332067  1
  Al  Al20  1  0.276931  0.110636  0.332067  1
  Al  Al21  1  0.338183  0.505222  0.282958  1
  Al  Al22  1  0.610265  0.777302  0.332067  1
  Al  Al23  1  0.671516  0.171889  0.282958  1
  Al  Al24  1  0.640174  0.473877  0.305814  1
  Al  Al25  1  0.004850  0.838555  0.282958  1
  Al  Al26  1  0.973507  0.140543  0.305814  1
  Al  Al27  1  0.306841  0.807210  0.305814  1
  Al  Al28  1  0.110265  0.277302  0.332067  1
  Al  Al29  1  0.443598  0.943969  0.332067  1
  Al  Al30  1  0.504850  0.338555  0.282958  1
  Al  Al31  1  0.776931  0.610636  0.332067  1
  Al  Al32  1  0.838183  0.005222  0.282958  1
  Al  Al33  1  0.806841  0.307210  0.305814  1
  Al  Al34  1  0.171516  0.671889  0.282958  1
  Al  Al35  1  0.140174  0.973877  0.305814  1
  Al  Al36  1  0.473507  0.640543  0.305814  1
  Al  Al37  1  0.913139  0.246843  0.356665  1
  Al  Al38  1  0.246473  0.913510  0.356665  1
  Al  Al39  1  0.216130  0.216500  0.382963  1
  Al  Al40  1  0.579806  0.580176  0.356665  1
  Al  Al41  1  0.549463  0.883167  0.382963  1
  Al  Al42  1  0.518786  0.185823  0.408539  1
  Al  Al43  1  0.882797  0.549834  0.382963  1
  Al  Al44  1  0.852119  0.852489  0.408539  1
  Al  Al45  1  0.185453  0.519156  0.408539  1
  Al  Al46  1  0.049463  0.383167  0.382963  1
  Al  Al47  1  0.382797  0.049834  0.382963  1
  Al  Al48  1  0.352119  0.352489  0.408539  1
  Al  Al49  1  0.716130  0.716500  0.382963  1
  Al  Al50  1  0.685453  0.019156  0.408539  1
  Al  Al51  1  0.746473  0.413510  0.356665  1
  Al  Al52  1  0.018786  0.685823  0.408539  1
  Al  Al53  1  0.079806  0.080176  0.356665  1
  Al  Al54  1  0.413139  0.746843  0.356665  1
  Al  Al55  1  0.852119  0.352489  0.408539  1
  Al  Al56  1  0.185453  0.019156  0.408539  1
  Al  Al57  1  0.246473  0.413510  0.356665  1
  Al  Al58  1  0.518786  0.685823  0.408539  1
  Al  Al59  1  0.579806  0.080176  0.356665  1
  Al  Al60  1  0.549463  0.383167  0.382963  1
  Al  Al61  1  0.913139  0.746843  0.356665  1
  Al  Al62  1  0.882797  0.049834  0.382963  1
  Al  Al63  1  0.216130  0.716500  0.382963  1
  Al  Al64  1  0.018786  0.185823  0.408539  1
  Al  Al65  1  0.352119  0.852489  0.408539  1
  Al  Al66  1  0.413139  0.246843  0.356665  1
  Al  Al67  1  0.685453  0.519156  0.408539  1
  Al  Al68  1  0.746473  0.913510  0.356665  1
  Al  Al69  1  0.716130  0.216500  0.382963  1
  Al  Al70  1  0.079806  0.580176  0.356665  1
  Al  Al71  1  0.049463  0.883167  0.382963  1
  Al  Al72  1  0.382797  0.549834  0.382963  1
  Al  Al73  1  0.821684  0.155387  0.434445  1
  Al  Al74  1  0.155018  0.822054  0.434445  1
  Al  Al75  1  0.124547  0.124917  0.460165  1
  Al  Al76  1  0.488351  0.488721  0.434445  1
  Al  Al77  1  0.457881  0.791583  0.460165  1
  Al  Al78  1  0.427452  0.094488  0.485974  1
  Al  Al79  1  0.791214  0.458250  0.460165  1
  Al  Al80  1  0.760786  0.761155  0.485974  1
  Al  Al81  1  0.094119  0.427821  0.485974  1
  Al  Al82  1  0.957881  0.291583  0.460165  1
  Al  Al83  1  0.291214  0.958250  0.460165  1
  Al  Al84  1  0.260786  0.261155  0.485974  1
  Al  Al85  1  0.624547  0.624917  0.460165  1
  Al  Al86  1  0.594119  0.927821  0.485974  1
  Al  Al87  1  0.655018  0.322054  0.434445  1
  Al  Al88  1  0.927452  0.594488  0.485974  1
  Al  Al89  1  0.988351  0.988721  0.434445  1
  Al  Al90  1  0.321684  0.655387  0.434445  1
  Al  Al91  1  0.760786  0.261155  0.485974  1
  Al  Al92  1  0.094119  0.927821  0.485974  1
  Al  Al93  1  0.155018  0.322054  0.434445  1
  Al  Al94  1  0.427452  0.594488  0.485974  1
  Al  Al95  1  0.488351  0.988721  0.434445  1
  Al  Al96  1  0.457881  0.291583  0.460165  1
  Al  Al97  1  0.821684  0.655387  0.434445  1
  Al  Al98  1  0.791214  0.958250  0.460165  1
  Al  Al99  1  0.124547  0.624917  0.460165  1
  Al  Al100  1  0.927452  0.094488  0.485974  1
  Al  Al101  1  0.260786  0.761155  0.485974  1
  Al  Al102  1  0.321684  0.155387  0.434445  1
  Al  Al103  1  0.594119  0.427821  0.485974  1
  Al  Al104  1  0.655018  0.822054  0.434445  1
  Al  Al105  1  0.624547  0.124917  0.460165  1
  Al  Al106  1  0.988351  0.488721  0.434445  1
  Al  Al107  1  0.957881  0.791583  0.460165  1
  Al  Al108  1  0.291214  0.458250  0.460165  1
  Al  Al109  1  0.730334  0.064036  0.511724  1
  Al  Al110  1  0.063668  0.730703  0.511724  1
  Al  Al111  1  0.033239  0.033608  0.537533  1
  Al  Al112  1  0.397001  0.397370  0.511724  1
  Al  Al113  1  0.366573  0.700275  0.537533  1
  Al  Al114  1  0.336103  1.003137  0.563253  1
  Al  Al115  1  0.699906  0.366941  0.537533  1
  Al  Al116  1  0.669436  0.669804  0.563253  1
  Al  Al117  1  1.002769  0.336471  0.563253  1
  Al  Al118  1  0.866573  0.200275  0.537533  1
  Al  Al119  1  0.199906  0.866941  0.537533  1
  Al  Al120  1  0.169436  0.169804  0.563253  1
  Al  Al121  1  0.533239  0.533608  0.537533  1
  Al  Al122  1  0.502769  0.836471  0.563253  1
  Al  Al123  1  0.563668  0.230703  0.511724  1
  Al  Al124  1  0.836103  0.503137  0.563253  1
  Al  Al125  1  0.897001  0.897370  0.511724  1
  Al  Al126  1  0.230334  0.564036  0.511724  1
  Al  Al127  1  0.669436  0.169804  0.563253  1
  Al  Al128  1  1.002769  0.836471  0.563253  1
  Al  Al129  1  0.063668  0.230703  0.511724  1
  Al  Al130  1  0.336103  0.503137  0.563253  1
  Al  Al131  1  0.397001  0.897370  0.511724  1
  Al  Al132  1  0.366573  0.200275  0.537533  1
  Al  Al133  1  0.730334  0.564036  0.511724  1
  Al  Al134  1  0.699906  0.866941  0.537533  1
  Al  Al135  1  0.033239  0.533608  0.537533  1
  Al  Al136  1  0.836103  1.003137  0.563253  1
  Al  Al137  1  0.169436  0.669804  0.563253  1
  Al  Al138  1  0.230334  0.064036  0.511724  1
  Al  Al139  1  0.502769  0.336471  0.563253  1
  Al  Al140  1  0.563668  0.730703  0.511724  1
  Al  Al141  1  0.533239  0.033608  0.537533  1
  Al  Al142  1  0.897001  0.397370  0.511724  1
  Al  Al143  1  0.866573  0.700275  0.537533  1
  Al  Al144  1  0.199906  0.366941  0.537533  1
  Al  Al145  1  0.639001  0.972702  0.589159  1
  Al  Al146  1  0.972334  0.639369  0.589159  1
  Al  Al147  1  0.941657  0.942024  0.614735  1
  Al  Al148  1  0.305667  0.306035  0.589159  1
  Al  Al149  1  0.274990  0.608691  0.614735  1
  Al  Al150  1  0.244647  0.911681  0.641034  1
  Al  Al151  1  0.608323  0.275357  0.614735  1
  Al  Al152  1  0.577981  0.578348  0.641034  1
  Al  Al153  1  0.911314  0.245015  0.641034  1
  Al  Al154  1  0.774990  0.108691  0.614735  1
  Al  Al155  1  0.108323  0.775357  0.614735  1
  Al  Al156  1  0.077981  0.078348  0.641034  1
  Al  Al157  1  0.441657  0.442024  0.614735  1
  Al  Al158  1  0.411314  0.745015  0.641034  1
  Al  Al159  1  0.472334  0.139369  0.589159  1
  Al  Al160  1  0.744647  0.411681  0.641034  1
  Al  Al161  1  0.805667  0.806035  0.589159  1
  Al  Al162  1  0.139001  0.472702  0.589159  1
  Al  Al163  1  0.577981  0.078348  0.641034  1
  Al  Al164  1  0.911314  0.745015  0.641034  1
  Al  Al165  1  0.972334  0.139369  0.589159  1
  Al  Al166  1  0.244647  0.411681  0.641034  1
  Al  Al167  1  0.305667  0.806035  0.589159  1
  Al  Al168  1  0.274990  0.108691  0.614735  1
  Al  Al169  1  0.639001  0.472702  0.589159  1
  Al  Al170  1  0.608323  0.775357  0.614735  1
  Al  Al171  1  0.941657  0.442024  0.614735  1
  Al  Al172  1  0.744647  0.911681  0.641034  1
  Al  Al173  1  0.077981  0.578348  0.641034  1
  Al  Al174  1  0.139001  0.972702  0.589159  1
  Al  Al175  1  0.411314  0.245015  0.641034  1
  Al  Al176  1  0.472334  0.639369  0.589159  1
  Al  Al177  1  0.441657  0.942024  0.614735  1
  Al  Al178  1  0.805667  0.306035  0.589159  1
  Al  Al179  1  0.774990  0.608691  0.614735  1
  Al  Al180  1  0.108323  0.275357  0.614735  1
  Al  Al181  1  0.547522  0.881222  0.665631  1
  Al  Al182  1  0.880856  0.547889  0.665631  1
  Al  Al183  1  0.850946  0.851315  0.691884  1
  Al  Al184  1  0.214189  0.214555  0.665631  1
  Al  Al185  1  0.184280  0.517981  0.691884  1
  Al  Al186  1  0.152937  0.819969  0.714740  1
  Al  Al187  1  0.517613  0.184648  0.691884  1
  Al  Al188  1  0.486270  0.486636  0.714740  1
  Al  Al189  1  0.819604  0.153302  0.714740  1
  Al  Al190  1  0.684280  0.017981  0.691884  1
  Al  Al191  1  0.017613  0.684648  0.691884  1
  Al  Al192  1  0.986270  0.986636  0.714740  1
  Al  Al193  1  0.350946  0.351315  0.691884  1
  Al  Al194  1  0.319604  0.653302  0.714740  1
  Al  Al195  1  0.380856  0.047889  0.665631  1
  Al  Al196  1  0.652937  0.319969  0.714740  1
  Al  Al197  1  0.714189  0.714555  0.665631  1
  Al  Al198  1  0.047522  0.381222  0.665631  1
  Al  Al199  1  0.486270  0.986636  0.714740  1
  Al  Al200  1  0.819604  0.653302  0.714740  1
  Al  Al201  1  0.880856  0.047889  0.665631  1
  Al  Al202  1  0.152937  0.319969  0.714740  1
  Al  Al203  1  0.214189  0.714555  0.665631  1
  Al  Al204  1  0.184280  0.017981  0.691884  1
  Al  Al205  1  0.547522  0.381222  0.665631  1
  Al  Al206  1  0.517613  0.684648  0.691884  1
  Al  Al207  1  0.850946  0.351315  0.691884  1
  Al  Al208  1  0.652937  0.819969  0.714740  1
  Al  Al209  1  0.986270  0.486636  0.714740  1
  Al  Al210  1  0.047522  0.881222  0.665631  1
  Al  Al211  1  0.319604  0.153302  0.714740  1
  Al  Al212  1  0.380856  0.547889  0.665631  1
  Al  Al213  1  0.350946  0.851315  0.691884  1
  Al  Al214  1  0.714189  0.214555  0.665631  1
  Al  Al215  1  0.684280  0.517981  0.691884  1
  Al  Al216  1  0.017613  0.184648  0.691884  1
