# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71509880
_cell_length_b   12.72148631
_cell_length_c   47.86657778
_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   7703.84559834
_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  1.002478  0.502480  0.280039  1
  Al  Al2  1  0.335811  0.169146  0.280039  1
  Al  Al3  1  0.305318  0.472048  0.304815  1
  Al  Al4  1  0.669144  0.835813  0.280039  1
  Al  Al5  1  0.638652  0.138715  0.304815  1
  Al  Al6  1  0.609690  0.443072  0.331173  1
  Al  Al7  1  0.971985  0.805382  0.304815  1
  Al  Al8  1  0.943024  0.109738  0.331173  1
  Al  Al9  1  0.276357  0.776405  0.331173  1
  Al  Al10  1  0.169144  0.335813  0.280039  1
  Al  Al11  1  0.502478  1.002480  0.280039  1
  Al  Al12  1  0.471985  0.305382  0.304815  1
  Al  Al13  1  0.835811  0.669146  0.280039  1
  Al  Al14  1  0.805318  0.972048  0.304815  1
  Al  Al15  1  0.776357  0.276405  0.331173  1
  Al  Al16  1  0.138652  0.638715  0.304815  1
  Al  Al17  1  0.109690  0.943072  0.331173  1
  Al  Al18  1  0.443024  0.609738  0.331173  1
  Al  Al19  1  0.971985  0.305382  0.304815  1
  Al  Al20  1  0.305318  0.972048  0.304815  1
  Al  Al21  1  0.276357  0.276405  0.331173  1
  Al  Al22  1  0.638652  0.638715  0.304815  1
  Al  Al23  1  0.609690  0.943072  0.331173  1
  Al  Al24  1  0.669144  0.335813  0.280039  1
  Al  Al25  1  0.943024  0.609738  0.331173  1
  Al  Al26  1  1.002478  1.002480  0.280039  1
  Al  Al27  1  0.335811  0.669146  0.280039  1
  Al  Al28  1  0.109690  0.443072  0.331173  1
  Al  Al29  1  0.443024  0.109738  0.331173  1
  Al  Al30  1  0.502478  0.502480  0.280039  1
  Al  Al31  1  0.776357  0.776405  0.331173  1
  Al  Al32  1  0.835811  0.169146  0.280039  1
  Al  Al33  1  0.805318  0.472048  0.304815  1
  Al  Al34  1  0.169144  0.835813  0.280039  1
  Al  Al35  1  0.138652  0.138715  0.304815  1
  Al  Al36  1  0.471985  0.805382  0.304815  1
  Al  Al37  1  0.912809  0.412870  0.355979  1
  Al  Al38  1  0.246142  0.079536  0.355979  1
  Al  Al39  1  0.215977  0.382705  0.381961  1
  Al  Al40  1  0.579476  0.746203  0.355979  1
  Al  Al41  1  0.549311  0.049372  0.381961  1
  Al  Al42  1  0.518769  0.352171  0.407473  1
  Al  Al43  1  0.882644  0.716039  0.381961  1
  Al  Al44  1  0.852102  0.018837  0.407473  1
  Al  Al45  1  0.185436  0.685504  0.407473  1
  Al  Al46  1  0.079476  0.246203  0.355979  1
  Al  Al47  1  0.412809  0.912870  0.355979  1
  Al  Al48  1  0.382644  0.216039  0.381961  1
  Al  Al49  1  0.746142  0.579536  0.355979  1
  Al  Al50  1  0.715977  0.882705  0.381961  1
  Al  Al51  1  0.685436  0.185504  0.407473  1
  Al  Al52  1  0.049311  0.549372  0.381961  1
  Al  Al53  1  0.018769  0.852171  0.407473  1
  Al  Al54  1  0.352102  0.518837  0.407473  1
  Al  Al55  1  0.882644  0.216039  0.381961  1
  Al  Al56  1  0.215977  0.882705  0.381961  1
  Al  Al57  1  0.185436  0.185504  0.407473  1
  Al  Al58  1  0.549311  0.549372  0.381961  1
  Al  Al59  1  0.518769  0.852171  0.407473  1
  Al  Al60  1  0.579476  0.246203  0.355979  1
  Al  Al61  1  0.852102  0.518837  0.407473  1
  Al  Al62  1  0.912809  0.912870  0.355979  1
  Al  Al63  1  0.246142  0.579536  0.355979  1
  Al  Al64  1  0.018769  0.352171  0.407473  1
  Al  Al65  1  0.352102  0.018837  0.407473  1
  Al  Al66  1  0.412809  0.412870  0.355979  1
  Al  Al67  1  0.685436  0.685504  0.407473  1
  Al  Al68  1  0.746142  0.079536  0.355979  1
  Al  Al69  1  0.715977  0.382705  0.381961  1
  Al  Al70  1  0.079476  0.746203  0.355979  1
  Al  Al71  1  0.049311  0.049372  0.381961  1
  Al  Al72  1  0.382644  0.716039  0.381961  1
  Al  Al73  1  0.821728  0.321801  0.433256  1
  Al  Al74  1  0.155062  0.988467  0.433256  1
  Al  Al75  1  0.124635  0.291379  0.458908  1
  Al  Al76  1  0.488395  0.655134  0.433256  1
  Al  Al77  1  0.457968  0.958046  0.458908  1
  Al  Al78  1  0.427582  0.260997  0.484625  1
  Al  Al79  1  0.791301  0.624712  0.458908  1
  Al  Al80  1  0.760915  0.927664  0.484625  1
  Al  Al81  1  0.094248  0.594330  0.484625  1
  Al  Al82  1  0.988395  0.155134  0.433256  1
  Al  Al83  1  0.321728  0.821801  0.433256  1
  Al  Al84  1  0.291301  0.124712  0.458908  1
  Al  Al85  1  0.655062  0.488467  0.433256  1
  Al  Al86  1  0.624635  0.791379  0.458908  1
  Al  Al87  1  0.594248  0.094330  0.484625  1
  Al  Al88  1  0.957968  0.458046  0.458908  1
  Al  Al89  1  0.927582  0.760997  0.484625  1
  Al  Al90  1  0.260915  0.427664  0.484625  1
  Al  Al91  1  0.791301  0.124712  0.458908  1
  Al  Al92  1  0.124635  0.791379  0.458908  1
  Al  Al93  1  0.094248  0.094330  0.484625  1
  Al  Al94  1  0.457968  0.458046  0.458908  1
  Al  Al95  1  0.427582  0.760997  0.484625  1
  Al  Al96  1  0.488395  0.155134  0.433256  1
  Al  Al97  1  0.760915  0.427664  0.484625  1
  Al  Al98  1  0.821728  0.821801  0.433256  1
  Al  Al99  1  0.155062  0.488467  0.433256  1
  Al  Al100  1  0.927582  0.260997  0.484625  1
  Al  Al101  1  0.260915  0.927664  0.484625  1
  Al  Al102  1  0.321728  0.321801  0.433256  1
  Al  Al103  1  0.594248  0.594330  0.484625  1
  Al  Al104  1  0.655062  0.988467  0.433256  1
  Al  Al105  1  0.624635  0.291379  0.458908  1
  Al  Al106  1  0.988395  0.655134  0.433256  1
  Al  Al107  1  0.957968  0.958046  0.458908  1
  Al  Al108  1  0.291301  0.624712  0.458908  1
  Al  Al109  1  0.730506  0.230592  0.510302  1
  Al  Al110  1  0.063839  0.897259  0.510302  1
  Al  Al111  1  0.033452  0.200210  0.536019  1
  Al  Al112  1  0.397172  0.563926  0.510302  1
  Al  Al113  1  0.366786  0.866877  0.536019  1
  Al  Al114  1  0.336359  0.169789  0.561672  1
  Al  Al115  1  0.700119  0.533544  0.536019  1
  Al  Al116  1  0.669692  0.836455  0.561672  1
  Al  Al117  1  1.003026  0.503122  0.561672  1
  Al  Al118  1  0.897172  0.063926  0.510302  1
  Al  Al119  1  0.230506  0.730592  0.510302  1
  Al  Al120  1  0.200119  0.033544  0.536019  1
  Al  Al121  1  0.563839  0.397259  0.510302  1
  Al  Al122  1  0.533452  0.700210  0.536019  1
  Al  Al123  1  0.503026  1.003122  0.561672  1
  Al  Al124  1  0.866786  0.366877  0.536019  1
  Al  Al125  1  0.836359  0.669789  0.561672  1
  Al  Al126  1  0.169692  0.336455  0.561672  1
  Al  Al127  1  0.700119  0.033544  0.536019  1
  Al  Al128  1  0.033452  0.700210  0.536019  1
  Al  Al129  1  1.003026  1.003122  0.561672  1
  Al  Al130  1  0.366786  0.366877  0.536019  1
  Al  Al131  1  0.336359  0.669789  0.561672  1
  Al  Al132  1  0.397172  0.063926  0.510302  1
  Al  Al133  1  0.669692  0.336455  0.561672  1
  Al  Al134  1  0.730506  0.730592  0.510302  1
  Al  Al135  1  0.063839  0.397259  0.510302  1
  Al  Al136  1  0.836359  0.169789  0.561672  1
  Al  Al137  1  0.169692  0.836455  0.561672  1
  Al  Al138  1  0.230506  0.230592  0.510302  1
  Al  Al139  1  0.503026  0.503122  0.561672  1
  Al  Al140  1  0.563839  0.897259  0.510302  1
  Al  Al141  1  0.533452  0.200210  0.536019  1
  Al  Al142  1  0.897172  0.563926  0.510302  1
  Al  Al143  1  0.866786  0.866877  0.536019  1
  Al  Al144  1  0.200119  0.533544  0.536019  1
  Al  Al145  1  0.639318  0.139419  0.587454  1
  Al  Al146  1  0.972652  0.806085  0.587454  1
  Al  Al147  1  0.942110  0.108884  0.612967  1
  Al  Al148  1  0.305985  0.472752  0.587454  1
  Al  Al149  1  0.275443  0.775551  0.612967  1
  Al  Al150  1  0.245278  0.078720  0.638949  1
  Al  Al151  1  0.608777  0.442217  0.612967  1
  Al  Al152  1  0.578611  0.745386  0.638949  1
  Al  Al153  1  0.911945  0.412053  0.638949  1
  Al  Al154  1  0.805985  0.972752  0.587454  1
  Al  Al155  1  0.139318  0.639419  0.587454  1
  Al  Al156  1  0.108777  0.942217  0.612967  1
  Al  Al157  1  0.472652  0.306085  0.587454  1
  Al  Al158  1  0.442110  0.608884  0.612967  1
  Al  Al159  1  0.411945  0.912053  0.638949  1
  Al  Al160  1  0.775443  0.275551  0.612967  1
  Al  Al161  1  0.745278  0.578720  0.638949  1
  Al  Al162  1  0.078611  0.245386  0.638949  1
  Al  Al163  1  0.608777  0.942217  0.612967  1
  Al  Al164  1  0.942110  0.608884  0.612967  1
  Al  Al165  1  0.911945  0.912053  0.638949  1
  Al  Al166  1  0.275443  0.275551  0.612967  1
  Al  Al167  1  0.245278  0.578720  0.638949  1
  Al  Al168  1  0.305985  0.972752  0.587454  1
  Al  Al169  1  0.578611  0.245386  0.638949  1
  Al  Al170  1  0.639318  0.639419  0.587454  1
  Al  Al171  1  0.972652  0.306085  0.587454  1
  Al  Al172  1  0.745278  0.078720  0.638949  1
  Al  Al173  1  0.078611  0.745386  0.638949  1
  Al  Al174  1  0.139318  0.139419  0.587454  1
  Al  Al175  1  0.411945  0.412053  0.638949  1
  Al  Al176  1  0.472652  0.806085  0.587454  1
  Al  Al177  1  0.442110  0.108884  0.612967  1
  Al  Al178  1  0.805985  0.472752  0.587454  1
  Al  Al179  1  0.775443  0.775551  0.612967  1
  Al  Al180  1  0.108777  0.442217  0.612967  1
  Al  Al181  1  0.548397  0.048518  0.663755  1
  Al  Al182  1  0.881730  0.715184  0.663755  1
  Al  Al183  1  0.852769  0.019541  0.690113  1
  Al  Al184  1  0.215063  0.381851  0.663755  1
  Al  Al185  1  0.186102  0.686208  0.690113  1
  Al  Al186  1  0.155610  0.989110  0.714889  1
  Al  Al187  1  0.519435  0.352874  0.690113  1
  Al  Al188  1  0.488943  0.655776  0.714889  1
  Al  Al189  1  0.822276  0.322443  0.714889  1
  Al  Al190  1  0.715063  0.881851  0.663755  1
  Al  Al191  1  0.048397  0.548518  0.663755  1
  Al  Al192  1  0.019435  0.852874  0.690113  1
  Al  Al193  1  0.381730  0.215184  0.663755  1
  Al  Al194  1  0.352769  0.519541  0.690113  1
  Al  Al195  1  0.322276  0.822443  0.714889  1
  Al  Al196  1  0.686102  0.186208  0.690113  1
  Al  Al197  1  0.655610  0.489110  0.714889  1
  Al  Al198  1  0.988943  0.155776  0.714889  1
  Al  Al199  1  0.519435  0.852874  0.690113  1
  Al  Al200  1  0.852769  0.519541  0.690113  1
  Al  Al201  1  0.822276  0.822443  0.714889  1
  Al  Al202  1  0.186102  0.186208  0.690113  1
  Al  Al203  1  0.155610  0.489110  0.714889  1
  Al  Al204  1  0.215063  0.881851  0.663755  1
  Al  Al205  1  0.488943  0.155776  0.714889  1
  Al  Al206  1  0.548397  0.548518  0.663755  1
  Al  Al207  1  0.881730  0.215184  0.663755  1
  Al  Al208  1  0.655610  0.989110  0.714889  1
  Al  Al209  1  0.988943  0.655776  0.714889  1
  Al  Al210  1  0.048397  0.048518  0.663755  1
  Al  Al211  1  0.322276  0.322443  0.714889  1
  Al  Al212  1  0.381730  0.715184  0.663755  1
  Al  Al213  1  0.352769  0.019541  0.690113  1
  Al  Al214  1  0.715063  0.381851  0.663755  1
  Al  Al215  1  0.686102  0.686208  0.690113  1
  Al  Al216  1  0.019435  0.352874  0.690113  1
