# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.32725756
_cell_length_b   8.98729460
_cell_length_c   49.22180658
_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   Al126
_cell_volume   4985.73166349
_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  0.865952  0.513670  0.310123  1
  Al  Al2  1  0.226259  0.162817  0.318067  1
  Al  Al3  1  0.282693  0.557300  0.288528  1
  Al  Al4  1  0.584856  0.817444  0.332807  1
  Al  Al5  1  0.613595  0.270158  0.284905  1
  Al  Al6  1  0.602919  0.530749  0.310989  1
  Al  Al7  1  0.931854  0.907014  0.281992  1
  Al  Al8  1  0.893408  0.210505  0.294840  1
  Al  Al9  1  0.245520  0.866997  0.301503  1
  Al  Al10  1  0.731334  0.308820  0.335893  1
  Al  Al11  1  0.038601  0.988146  0.326709  1
  Al  Al12  1  0.088203  0.381620  0.291712  1
  Al  Al13  1  0.471416  0.745780  0.285088  1
  Al  Al14  1  0.451938  1.043627  0.299209  1
  Al  Al15  1  0.415829  0.339044  0.316906  1
  Al  Al16  1  0.731224  0.743758  0.285362  1
  Al  Al17  1  0.716377  1.024847  0.306483  1
  Al  Al18  1  0.062685  0.680685  0.307523  1
  Al  Al19  1  0.859621  0.350389  0.390682  1
  Al  Al20  1  0.143258  1.066392  0.374480  1
  Al  Al21  1  0.199006  0.460646  0.339977  1
  Al  Al22  1  0.499262  0.712427  0.384254  1
  Al  Al23  1  0.558288  0.113355  0.348887  1
  Al  Al24  1  0.526574  0.413765  0.365499  1
  Al  Al25  1  0.848790  0.802332  0.334567  1
  Al  Al26  1  0.844076  0.082693  0.358684  1
  Al  Al27  1  0.171308  0.760927  0.356601  1
  Al  Al28  1  0.666072  0.184005  0.397690  1
  Al  Al29  1  -0.031328  0.872613  0.386659  1
  Al  Al30  1  0.004602  0.288483  0.343454  1
  Al  Al31  1  0.387522  0.642197  0.335863  1
  Al  Al32  1  0.360426  0.940036  0.351557  1
  Al  Al33  1  0.335262  0.237402  0.369308  1
  Al  Al34  1  0.723583  0.583785  0.361203  1
  Al  Al35  1  0.696709  0.879817  0.381164  1
  Al  Al36  1  -0.020033  0.580874  0.361961  1
  Al  Al37  1  0.776519  0.259169  0.446136  1
  Al  Al38  1  0.133195  0.897006  0.452789  1
  Al  Al39  1  0.116120  0.360922  0.393736  1
  Al  Al40  1  0.417134  0.615671  0.437460  1
  Al  Al41  1  0.471360  1.013086  0.401494  1
  Al  Al42  1  0.444736  0.312874  0.419358  1
  Al  Al43  1  0.835418  0.650653  0.410991  1
  Al  Al44  1  0.804159  0.955990  0.429317  1
  Al  Al45  1  0.095949  0.657154  0.415113  1
  Al  Al46  1  0.581355  0.088807  0.450908  1
  Al  Al47  1  0.941066  0.730434  0.460088  1
  Al  Al48  1  -0.003659  0.123181  0.421514  1
  Al  Al49  1  0.308450  0.536622  0.388612  1
  Al  Al50  1  0.278246  0.840255  0.406058  1
  Al  Al51  1  0.252276  0.138925  0.424949  1
  Al  Al52  1  0.638244  0.484892  0.414675  1
  Al  Al53  1  0.609768  0.786627  0.433249  1
  Al  Al54  1  -0.028596  0.427105  0.441410  1
  Al  Al55  1  0.691903  0.168570  0.499450  1
  Al  Al56  1  0.051294  0.810838  0.508221  1
  Al  Al57  1  0.107960  0.204518  0.472068  1
  Al  Al58  1  0.407667  0.449625  0.514958  1
  Al  Al59  1  0.388621  0.915631  0.455997  1
  Al  Al60  1  0.364692  0.221995  0.475691  1
  Al  Al61  1  0.747220  0.561708  0.463958  1
  Al  Al62  1  0.718820  0.864946  0.482083  1
  Al  Al63  1  0.077919  0.506750  0.490662  1
  Al  Al64  1  0.500546  1.000677  0.506316  1
  Al  Al65  1  0.855613  0.641339  0.512933  1
  Al  Al66  1  0.914415  1.034655  0.477283  1
  Al  Al67  1  0.229804  0.441398  0.445264  1
  Al  Al68  1  0.270501  0.673205  0.483933  1
  Al  Al69  1  0.244566  0.981846  0.502969  1
  Al  Al70  1  0.554637  0.391909  0.468360  1
  Al  Al71  1  0.525711  0.692484  0.487084  1
  Al  Al72  1  0.884661  0.337888  0.495035  1
  Al  Al73  1  0.681070  1.006089  0.576774  1
  Al  Al74  1  -0.034601  0.722037  0.561180  1
  Al  Al75  1  0.022309  0.114323  0.526107  1
  Al  Al76  1  0.325825  0.363546  0.569968  1
  Al  Al77  1  0.381850  0.758892  0.533894  1
  Al  Al78  1  0.351937  1.060175  0.552386  1
  Al  Al79  1  0.662453  0.469847  0.518058  1
  Al  Al80  1  0.637277  0.778944  0.537163  1
  Al  Al81  1  -0.007230  0.417860  0.543652  1
  Al  Al82  1  0.489569  0.837828  0.583252  1
  Al  Al83  1  0.773491  0.556933  0.568274  1
  Al  Al84  1  0.829162  0.945680  0.530435  1
  Al  Al85  1  0.214820  0.283584  0.521539  1
  Al  Al86  1  0.188228  0.587446  0.538808  1
  Al  Al87  1  0.159507  0.890901  0.557121  1
  Al  Al88  1  0.544322  0.226709  0.545857  1
  Al  Al89  1  0.519075  0.535808  0.565148  1
  Al  Al90  1  0.799102  0.247285  0.548939  1
  Al  Al91  1  0.600816  0.920025  0.631203  1
  Al  Al92  1  0.949232  0.569315  0.635774  1
  Al  Al93  1  0.936413  1.024100  0.579847  1
  Al  Al94  1  0.242150  0.269219  0.623816  1
  Al  Al95  1  0.297053  0.667370  0.587329  1
  Al  Al96  1  0.268506  0.970916  0.606248  1
  Al  Al97  1  0.654634  0.312771  0.596085  1
  Al  Al98  1  0.627708  0.615230  0.614825  1
  Al  Al99  1  0.912226  0.330954  0.598489  1
  Al  Al100  1  0.408461  0.745498  0.635178  1
  Al  Al101  1  0.766653  0.391637  0.643739  1
  Al  Al102  1  0.816274  0.788393  0.607963  1
  Al  Al103  1  0.131379  0.193354  0.574965  1
  Al  Al104  1  0.104359  0.496705  0.591457  1
  Al  Al105  1  0.071970  0.801495  0.610052  1
  Al  Al106  1  0.460919  0.140577  0.600996  1
  Al  Al107  1  0.434660  0.443295  0.619072  1
  Al  Al108  1  0.793736  0.093938  0.627134  1
  Al  Al109  1  0.519448  0.826496  0.683063  1
  Al  Al110  1  0.868899  0.479812  0.690647  1
  Al  Al111  1  0.930038  0.874741  0.658594  1
  Al  Al112  1  0.182137  0.114720  0.684775  1
  Al  Al113  1  0.213313  0.568962  0.639063  1
  Al  Al114  1  0.186495  0.866972  0.657152  1
  Al  Al115  1  0.568613  0.219781  0.649344  1
  Al  Al116  1  0.546613  0.524439  0.667612  1
  Al  Al117  1  0.908874  0.170504  0.676899  1
  Al  Al118  1  0.324061  0.649957  0.685666  1
  Al  Al119  1  0.680109  0.303187  0.693890  1
  Al  Al120  1  0.737870  0.698822  0.663453  1
  Al  Al121  1  0.047617  0.109252  0.630104  1
  Al  Al122  1  0.080973  0.363707  0.665674  1
  Al  Al123  1  0.065556  0.652391  0.684996  1
  Al  Al124  1  0.384940  1.044899  0.655215  1
  Al  Al125  1  0.350031  0.343590  0.673024  1
  Al  Al126  1  0.709425  1.001125  0.679753  1
