# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.82633927
_cell_length_b   9.10539252
_cell_length_c   44.87695541
_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   Al126
_cell_volume   4808.28264332
_cell_formula_units_Z   126
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  0.827983  0.417525  0.360331  1
  Al  Al2  1  0.168353  0.085427  0.363359  1
  Al  Al3  1  0.205215  0.485087  0.321534  1
  Al  Al4  1  0.500300  0.753598  0.363489  1
  Al  Al5  1  0.542500  0.150485  0.322515  1
  Al  Al6  1  0.521950  0.445583  0.342483  1
  Al  Al7  1  0.871883  0.817510  0.321704  1
  Al  Al8  1  0.842087  0.121099  0.339742  1
  Al  Al9  1  0.184106  0.781009  0.342534  1
  Al  Al10  1  0.659034  0.232540  0.373702  1
  Al  Al11  1  0.053556  1.002795  0.313068  1
  Al  Al12  1  0.026551  0.301669  0.331642  1
  Al  Al13  1  0.387605  0.670103  0.313309  1
  Al  Al14  1  0.356644  0.971233  0.330989  1
  Al  Al15  1  0.340745  0.266705  0.351620  1
  Al  Al16  1  0.686643  0.637420  0.330368  1
  Al  Al17  1  0.674611  0.931001  0.352190  1
  Al  Al18  1  0.007609  0.599149  0.351704  1
  Al  Al19  1  0.784357  0.322650  0.422466  1
  Al  Al20  1  0.115670  0.989188  0.422238  1
  Al  Al21  1  0.150542  0.385139  0.382243  1
  Al  Al22  1  0.450472  0.655547  0.422611  1
  Al  Al23  1  0.481870  1.051045  0.382404  1
  Al  Al24  1  0.465691  0.353002  0.402407  1
  Al  Al25  1  0.816352  0.717485  0.381856  1
  Al  Al26  1  0.800813  1.019209  0.402083  1
  Al  Al27  1  0.132564  0.686272  0.401955  1
  Al  Al28  1  0.608272  0.139626  0.432564  1
  Al  Al29  1  -0.009402  0.903487  0.372099  1
  Al  Al30  1  -0.027888  0.202884  0.391421  1
  Al  Al31  1  0.327142  0.566732  0.372655  1
  Al  Al32  1  0.307600  0.868758  0.392572  1
  Al  Al33  1  0.292314  0.171796  0.412705  1
  Al  Al34  1  0.641941  0.535826  0.392386  1
  Al  Al35  1  0.626284  0.838470  0.412616  1
  Al  Al36  1  -0.043023  0.503633  0.411442  1
  Al  Al37  1  0.732786  0.228035  0.482916  1
  Al  Al38  1  0.065856  0.894446  0.482892  1
  Al  Al39  1  0.098519  0.290759  0.442200  1
  Al  Al40  1  0.399534  0.561341  0.483039  1
  Al  Al41  1  0.433282  0.957157  0.442794  1
  Al  Al42  1  0.416543  0.259446  0.462976  1
  Al  Al43  1  0.766801  0.623773  0.442537  1
  Al  Al44  1  0.749933  0.926162  0.462778  1
  Al  Al45  1  0.082223  0.592367  0.462501  1
  Al  Al46  1  0.557889  1.045551  0.493187  1
  Al  Al47  1  -0.058775  0.805680  0.432290  1
  Al  Al48  1  0.924684  0.108191  0.452641  1
  Al  Al49  1  0.274599  0.473253  0.432598  1
  Al  Al50  1  0.257544  0.774916  0.452627  1
  Al  Al51  1  0.240730  0.077093  0.472806  1
  Al  Al52  1  0.591552  0.441580  0.452665  1
  Al  Al53  1  0.574818  0.743597  0.472975  1
  Al  Al54  1  0.907969  0.410421  0.472820  1
  Al  Al55  1  0.682327  0.133934  0.543610  1
  Al  Al56  1  0.015610  0.800601  0.543529  1
  Al  Al57  1  0.049224  0.196620  0.503141  1
  Al  Al58  1  0.349084  0.467252  0.543567  1
  Al  Al59  1  0.382588  0.863272  0.503226  1
  Al  Al60  1  0.365801  0.165232  0.523396  1
  Al  Al61  1  0.715956  0.529922  0.503172  1
  Al  Al62  1  0.699123  0.831883  0.523409  1
  Al  Al63  1  0.032408  0.498633  0.523315  1
  Al  Al64  1  0.507616  0.951548  0.553825  1
  Al  Al65  1  0.890987  0.712232  0.493034  1
  Al  Al66  1  0.874155  1.014278  0.513255  1
  Al  Al67  1  0.223938  0.378930  0.492963  1
  Al  Al68  1  0.207360  0.680850  0.513193  1
  Al  Al69  1  0.190653  0.982911  0.533452  1
  Al  Al70  1  0.541103  0.347678  0.513369  1
  Al  Al71  1  0.524278  0.649661  0.533590  1
  Al  Al72  1  0.857185  0.316205  0.533397  1
  Al  Al73  1  0.632552  1.039845  0.604520  1
  Al  Al74  1  -0.035604  0.706804  0.603968  1
  Al  Al75  1  -0.001385  0.102435  0.563732  1
  Al  Al76  1  0.299414  0.373381  0.604241  1
  Al  Al77  1  0.332213  0.769236  0.563774  1
  Al  Al78  1  0.315692  0.071337  0.584004  1
  Al  Al79  1  0.665615  0.436001  0.563881  1
  Al  Al80  1  0.649086  0.738008  0.584291  1
  Al  Al81  1  -0.018633  0.404450  0.583753  1
  Al  Al82  1  0.457050  0.857493  0.614284  1
  Al  Al83  1  0.840285  0.618320  0.553622  1
  Al  Al84  1  0.823293  0.920157  0.573824  1
  Al  Al85  1  0.174045  0.284991  0.553652  1
  Al  Al86  1  0.157135  0.586862  0.573813  1
  Al  Al87  1  0.140332  0.888884  0.594079  1
  Al  Al88  1  0.490722  0.253323  0.573978  1
  Al  Al89  1  0.474051  0.555654  0.594183  1
  Al  Al90  1  0.806546  0.222319  0.594070  1
  Al  Al91  1  0.580371  0.945770  0.664540  1
  Al  Al92  1  0.915412  0.613209  0.664382  1
  Al  Al93  1  -0.053210  1.007913  0.624107  1
  Al  Al94  1  0.248607  0.279254  0.663973  1
  Al  Al95  1  0.282037  0.674713  0.624327  1
  Al  Al96  1  0.266517  0.976858  0.644423  1
  Al  Al97  1  0.614788  0.340951  0.624458  1
  Al  Al98  1  0.598303  0.644174  0.644947  1
  Al  Al99  1  -0.068330  0.311199  0.644169  1
  Al  Al100  1  0.406251  0.760484  0.674612  1
  Al  Al101  1  0.789745  0.524571  0.614403  1
  Al  Al102  1  0.773935  0.827041  0.635085  1
  Al  Al103  1  0.123406  0.190519  0.613984  1
  Al  Al104  1  0.105351  0.492236  0.633813  1
  Al  Al105  1  0.089335  0.794828  0.654028  1
  Al  Al106  1  0.440792  0.159961  0.634804  1
  Al  Al107  1  0.425706  0.461752  0.655013  1
  Al  Al108  1  0.758069  0.127651  0.655114  1
  Al  Al109  1  0.525924  0.845141  0.724902  1
  Al  Al110  1  0.854515  0.511460  0.724028  1
  Al  Al111  1  0.903409  0.912664  0.685946  1
  Al  Al112  1  0.187163  0.178188  0.724111  1
  Al  Al113  1  0.229740  0.578093  0.682992  1
  Al  Al114  1  0.208490  0.883405  0.704083  1
  Al  Al115  1  0.566280  0.247117  0.685527  1
  Al  Al116  1  0.555887  0.541415  0.706838  1
  Al  Al117  1  0.886812  0.210920  0.706017  1
  Al  Al118  1  0.344459  0.660477  0.733146  1
  Al  Al119  1  0.740586  0.426971  0.673759  1
  Al  Al120  1  0.723571  0.733413  0.694560  1
  Al  Al121  1  0.072053  0.097605  0.672868  1
  Al  Al122  1  0.057281  0.399503  0.694373  1
  Al  Al123  1  0.041533  0.692096  0.716128  1
  Al  Al124  1  0.389498  0.063537  0.694957  1
  Al  Al125  1  0.368964  0.360880  0.715030  1
  Al  Al126  1  0.705472  1.030794  0.715318  1
