# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98791865
_cell_length_b   8.98648695
_cell_length_c   49.60456417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al112
_cell_volume   3925.60262879
_cell_formula_units_Z   112
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  0.659370  0.660123  0.336412  1
  Al  Al2  1  0.325727  0.326501  0.272644  1
  Al  Al3  1  0.245969  0.743355  0.303052  1
  Al  Al4  1  0.742604  0.246721  0.303051  1
  Al  Al5  1  0.992132  0.992885  0.302794  1
  Al  Al6  1  0.492943  0.493690  0.302772  1
  Al  Al7  1  0.572348  0.080893  0.272958  1
  Al  Al8  1  0.080124  0.573127  0.272958  1
  Al  Al9  1  0.702812  0.951162  0.319643  1
  Al  Al10  1  0.201367  0.451623  0.320567  1
  Al  Al11  1  0.285245  0.036737  0.287768  1
  Al  Al12  1  0.786960  0.537591  0.287951  1
  Al  Al13  1  0.950407  0.703567  0.319645  1
  Al  Al14  1  0.450865  0.202125  0.320567  1
  Al  Al15  1  0.536823  0.787710  0.287952  1
  Al  Al16  1  0.035985  0.285999  0.287768  1
  Al  Al17  1  0.492862  0.493609  0.403018  1
  Al  Al18  1  0.158831  0.159585  0.336085  1
  Al  Al19  1  0.075880  0.578315  0.369574  1
  Al  Al20  1  0.577565  0.076632  0.369574  1
  Al  Al21  1  0.826677  0.827429  0.369547  1
  Al  Al22  1  0.326482  0.327234  0.369891  1
  Al  Al23  1  0.410260  0.910887  0.336167  1
  Al  Al24  1  0.910133  0.411012  0.336166  1
  Al  Al25  1  0.534574  0.785335  0.386341  1
  Al  Al26  1  0.034307  0.285234  0.386287  1
  Al  Al27  1  0.118282  0.869040  0.352341  1
  Al  Al28  1  0.618672  0.369413  0.352553  1
  Al  Al29  1  0.784585  0.535323  0.386341  1
  Al  Al30  1  0.284485  0.035057  0.386287  1
  Al  Al31  1  0.368663  0.619421  0.352554  1
  Al  Al32  1  0.868288  0.119034  0.352340  1
  Al  Al33  1  0.325643  0.326383  0.470074  1
  Al  Al34  1  0.992708  0.993456  0.402901  1
  Al  Al35  1  0.909128  0.409900  0.436573  1
  Al  Al36  1  0.409156  0.909872  0.436573  1
  Al  Al37  1  0.659179  0.659922  0.436585  1
  Al  Al38  1  0.159141  0.159885  0.436551  1
  Al  Al39  1  0.242670  0.743561  0.402957  1
  Al  Al40  1  0.742815  0.243417  0.402957  1
  Al  Al41  1  0.367390  0.618185  0.453306  1
  Al  Al42  1  0.867444  0.118129  0.453285  1
  Al  Al43  1  0.950912  0.701815  0.419834  1
  Al  Al44  1  0.451129  0.201545  0.419855  1
  Al  Al45  1  0.617444  0.368131  0.453306  1
  Al  Al46  1  0.117387  0.868186  0.453285  1
  Al  Al47  1  0.200800  0.451874  0.419856  1
  Al  Al48  1  0.701069  0.951658  0.419834  1
  Al  Al49  1  0.158543  0.159276  0.537096  1
  Al  Al50  1  0.825655  0.826395  0.470085  1
  Al  Al51  1  0.742138  0.242821  0.503582  1
  Al  Al52  1  0.242084  0.742874  0.503582  1
  Al  Al53  1  0.492110  0.492847  0.503581  1
  Al  Al54  1  0.992107  0.992844  0.503582  1
  Al  Al55  1  0.075618  0.576419  0.470082  1
  Al  Al56  1  0.575679  0.076358  0.470082  1
  Al  Al57  1  0.200329  0.451075  0.520320  1
  Al  Al58  1  0.700341  0.951067  0.520335  1
  Al  Al59  1  0.783869  0.534598  0.486837  1
  Al  Al60  1  0.283853  0.034603  0.486824  1
  Al  Al61  1  0.450341  0.201064  0.520320  1
  Al  Al62  1  0.950333  0.701075  0.520335  1
  Al  Al63  1  0.033865  0.284591  0.486824  1
  Al  Al64  1  0.533860  0.784607  0.486837  1
  Al  Al65  1  0.991589  0.992314  0.604236  1
  Al  Al66  1  0.658558  0.659290  0.537107  1
  Al  Al67  1  0.574997  0.075774  0.570557  1
  Al  Al68  1  0.075046  0.575725  0.570557  1
  Al  Al69  1  0.325029  0.325757  0.570532  1
  Al  Al70  1  0.825042  0.825770  0.570574  1
  Al  Al71  1  0.908588  0.409246  0.537105  1
  Al  Al72  1  0.408514  0.909320  0.537104  1
  Al  Al73  1  0.033370  0.283724  0.587417  1
  Al  Al74  1  0.533109  0.784056  0.587392  1
  Al  Al75  1  0.616855  0.367523  0.553851  1
  Al  Al76  1  0.116783  0.867571  0.553875  1
  Al  Al77  1  0.282997  0.034097  0.587417  1
  Al  Al78  1  0.783329  0.533837  0.587392  1
  Al  Al79  1  0.866841  0.117513  0.553875  1
  Al  Al80  1  0.366792  0.617586  0.553851  1
  Al  Al81  1  0.823802  0.824519  0.670738  1
  Al  Al82  1  0.491481  0.492207  0.604115  1
  Al  Al83  1  0.406495  0.909338  0.637745  1
  Al  Al84  1  0.908617  0.407217  0.637745  1
  Al  Al85  1  0.157296  0.158018  0.638082  1
  Al  Al86  1  0.657477  0.658201  0.637693  1
  Al  Al87  1  0.741573  0.242145  0.604174  1
  Al  Al88  1  0.241419  0.742298  0.604174  1
  Al  Al89  1  0.866214  0.116750  0.654628  1
  Al  Al90  1  0.365783  0.616680  0.654441  1
  Al  Al91  1  0.449330  0.200271  0.620698  1
  Al  Al92  1  0.949598  0.700303  0.620753  1
  Al  Al93  1  0.116029  0.866936  0.654628  1
  Al  Al94  1  0.615957  0.366506  0.654441  1
  Al  Al95  1  0.699580  0.950320  0.620753  1
  Al  Al96  1  0.199548  0.450053  0.620698  1
  Al  Al97  1  0.658704  0.659405  0.733220  1
  Al  Al98  1  0.324340  0.325056  0.670309  1
  Al  Al99  1  0.242319  0.740372  0.703579  1
  Al  Al100  1  0.739649  0.243044  0.703579  1
  Al  Al101  1  0.988370  0.989089  0.703245  1
  Al  Al102  1  0.490031  0.490755  0.703409  1
  Al  Al103  1  0.575238  0.076044  0.670427  1
  Al  Al104  1  0.075328  0.575954  0.670428  1
  Al  Al105  1  0.697869  0.949063  0.718663  1
  Al  Al106  1  0.199435  0.450512  0.718295  1
  Al  Al107  1  0.282033  0.034012  0.687939  1
  Al  Al108  1  0.785143  0.531443  0.686979  1
  Al  Al109  1  0.948345  0.698569  0.718663  1
  Al  Al110  1  0.449809  0.200138  0.718295  1
  Al  Al111  1  0.530723  0.785863  0.686980  1
  Al  Al112  1  0.033290  0.282754  0.687939  1
