# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85947416
_cell_length_b   8.97660845
_cell_length_c   44.73027920
_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   4738.02034926
_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  0.826608  0.436789  0.358675  1
  Al  Al2  1  0.163263  0.100893  0.358978  1
  Al  Al3  1  0.203284  0.503778  0.323041  1
  Al  Al4  1  0.499517  0.770354  0.362214  1
  Al  Al5  1  0.539257  0.167705  0.323724  1
  Al  Al6  1  0.517489  0.463269  0.341593  1
  Al  Al7  1  0.871033  0.834256  0.324153  1
  Al  Al8  1  0.842487  0.135890  0.340298  1
  Al  Al9  1  0.173154  0.805886  0.339322  1
  Al  Al10  1  0.659057  0.250341  0.371486  1
  Al  Al11  1  -0.009881  0.921698  0.370846  1
  Al  Al12  1  0.024384  0.317319  0.332064  1
  Al  Al13  1  0.382678  0.687756  0.315480  1
  Al  Al14  1  0.360564  0.986504  0.331865  1
  Al  Al15  1  0.338131  0.285172  0.350073  1
  Al  Al16  1  0.683847  0.655635  0.330964  1
  Al  Al17  1  0.669624  0.947197  0.350846  1
  Al  Al18  1  0.005578  0.614515  0.350598  1
  Al  Al19  1  0.784929  0.338555  0.419422  1
  Al  Al20  1  0.117344  1.005670  0.419248  1
  Al  Al21  1  0.150359  0.401678  0.380327  1
  Al  Al22  1  0.450107  0.671712  0.419619  1
  Al  Al23  1  0.482032  1.068344  0.380821  1
  Al  Al24  1  0.464711  0.369072  0.399125  1
  Al  Al25  1  0.815072  0.733757  0.380433  1
  Al  Al26  1  0.799145  1.034630  0.399228  1
  Al  Al27  1  0.132510  0.702303  0.398493  1
  Al  Al28  1  0.608986  0.156004  0.429788  1
  Al  Al29  1  -0.057580  0.821791  0.429317  1
  Al  Al30  1  -0.027015  0.219591  0.389413  1
  Al  Al31  1  0.324240  0.586553  0.370748  1
  Al  Al32  1  0.305399  0.884305  0.388851  1
  Al  Al33  1  0.290310  0.186205  0.408625  1
  Al  Al34  1  0.640819  0.552033  0.389985  1
  Al  Al35  1  0.626290  0.854281  0.409928  1
  Al  Al36  1  -0.042510  0.519250  0.408441  1
  Al  Al37  1  0.733756  0.242776  0.480715  1
  Al  Al38  1  0.066610  0.909254  0.480575  1
  Al  Al39  1  0.099580  0.306080  0.439611  1
  Al  Al40  1  0.400231  0.576040  0.480807  1
  Al  Al41  1  0.432469  0.972612  0.439753  1
  Al  Al42  1  0.416256  0.274290  0.460060  1
  Al  Al43  1  0.767615  0.638919  0.440037  1
  Al  Al44  1  0.750833  0.941214  0.460373  1
  Al  Al45  1  0.082656  0.607580  0.459774  1
  Al  Al46  1  0.558337  1.059985  0.490953  1
  Al  Al47  1  0.892093  0.726537  0.491016  1
  Al  Al48  1  0.925029  0.123143  0.449894  1
  Al  Al49  1  0.274984  0.488696  0.429733  1
  Al  Al50  1  0.257682  0.790161  0.449816  1
  Al  Al51  1  0.241594  0.092192  0.470396  1
  Al  Al52  1  0.591655  0.456808  0.449947  1
  Al  Al53  1  0.575312  0.758708  0.470570  1
  Al  Al54  1  0.908849  0.425004  0.470494  1
  Al  Al55  1  0.683782  0.146755  0.542214  1
  Al  Al56  1  0.017110  0.813492  0.542261  1
  Al  Al57  1  0.050009  0.210376  0.501219  1
  Al  Al58  1  0.350263  0.480060  0.542162  1
  Al  Al59  1  0.383282  0.877154  0.501261  1
  Al  Al60  1  0.366758  0.178619  0.521690  1
  Al  Al61  1  0.716782  0.543826  0.501273  1
  Al  Al62  1  0.700317  0.845339  0.521763  1
  Al  Al63  1  0.033513  0.511966  0.521703  1
  Al  Al64  1  0.508882  0.963950  0.552494  1
  Al  Al65  1  0.842120  0.630772  0.552474  1
  Al  Al66  1  0.875381  1.027934  0.511582  1
  Al  Al67  1  0.224767  0.393341  0.490909  1
  Al  Al68  1  0.208046  0.694498  0.511314  1
  Al  Al69  1  0.191644  0.995898  0.531875  1
  Al  Al70  1  0.541737  0.361188  0.511444  1
  Al  Al71  1  0.525500  0.662727  0.532098  1
  Al  Al72  1  0.858741  0.329249  0.532000  1
  Al  Al73  1  0.634811  1.050970  0.603885  1
  Al  Al74  1  -0.033191  0.718270  0.603740  1
  Al  Al75  1  0.000425  0.114484  0.562895  1
  Al  Al76  1  0.300096  0.384810  0.603463  1
  Al  Al77  1  0.333207  0.781111  0.562636  1
  Al  Al78  1  0.316304  0.082593  0.583058  1
  Al  Al79  1  0.667118  0.447962  0.562720  1
  Al  Al80  1  0.651151  0.749748  0.583501  1
  Al  Al81  1  -0.016513  0.415920  0.583310  1
  Al  Al82  1  0.458329  0.868236  0.613552  1
  Al  Al83  1  0.792281  0.535767  0.613901  1
  Al  Al84  1  0.825344  0.931990  0.573062  1
  Al  Al85  1  0.175069  0.297369  0.552415  1
  Al  Al86  1  0.158183  0.598833  0.572920  1
  Al  Al87  1  0.142022  0.900579  0.593661  1
  Al  Al88  1  0.491996  0.264943  0.572936  1
  Al  Al89  1  0.475634  0.566920  0.593543  1
  Al  Al90  1  0.809248  0.233759  0.593639  1
  Al  Al91  1  0.584263  0.954785  0.663252  1
  Al  Al92  1  0.918042  0.623031  0.663673  1
  Al  Al93  1  -0.050644  1.018443  0.624319  1
  Al  Al94  1  0.253085  0.289571  0.663239  1
  Al  Al95  1  0.282623  0.685704  0.623964  1
  Al  Al96  1  0.268188  0.988896  0.644502  1
  Al  Al97  1  0.617177  0.351996  0.623933  1
  Al  Al98  1  0.601788  0.655195  0.644537  1
  Al  Al99  1  -0.065969  0.322009  0.644841  1
  Al  Al100  1  0.407485  0.774146  0.672501  1
  Al  Al101  1  0.744104  0.436694  0.672779  1
  Al  Al102  1  0.776930  0.837772  0.635204  1
  Al  Al103  1  0.124834  0.201680  0.614033  1
  Al  Al104  1  0.107352  0.502808  0.634026  1
  Al  Al105  1  0.093180  0.804859  0.654078  1
  Al  Al106  1  0.441167  0.169192  0.633764  1
  Al  Al107  1  0.426801  0.473166  0.654081  1
  Al  Al108  1  0.761777  0.138594  0.654760  1
  Al  Al109  1  0.531553  0.854113  0.721136  1
  Al  Al110  1  0.863996  0.521736  0.720712  1
  Al  Al111  1  0.905730  0.921970  0.685426  1
  Al  Al112  1  0.198147  0.192856  0.719945  1
  Al  Al113  1  0.235330  0.584664  0.682198  1
  Al  Al114  1  0.217898  0.894339  0.702619  1
  Al  Al115  1  0.567105  0.254533  0.681600  1
  Al  Al116  1  0.554344  0.560268  0.701727  1
  Al  Al117  1  0.892048  0.220344  0.704396  1
  Al  Al118  1  0.354417  0.666730  0.728576  1
  Al  Al119  1  0.680919  0.340669  0.728862  1
  Al  Al120  1  0.728596  0.739708  0.693652  1
  Al  Al121  1  0.075383  0.106462  0.672537  1
  Al  Al122  1  0.061975  0.409393  0.693103  1
  Al  Al123  1  0.050205  0.702555  0.712779  1
  Al  Al124  1  0.398020  0.072574  0.693664  1
  Al  Al125  1  0.383787  0.367854  0.712768  1
  Al  Al126  1  0.707013  1.040364  0.711876  1
