# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.30807344
_cell_length_b   11.28578020
_cell_length_c   45.84337986
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al162
_cell_volume   5566.71772794
_cell_formula_units_Z   162
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  0.839854  0.186801  0.282720  1
  Al  Al2  1  0.181531  0.845084  0.282779  1
  Al  Al3  1  0.097989  0.102717  0.314846  1
  Al  Al4  1  0.482846  0.134340  0.296115  1
  Al  Al5  1  0.809775  0.814894  0.298184  1
  Al  Al6  1  0.128964  0.488394  0.295906  1
  Al  Al7  1  0.518385  0.523782  0.281905  1
  Al  Al8  1  0.426784  0.764860  0.312625  1
  Al  Al9  1  0.759848  0.431794  0.312645  1
  Al  Al10  1  0.573544  0.908702  0.321625  1
  Al  Al11  1  0.903899  0.578322  0.321612  1
  Al  Al12  1  0.954139  0.959287  0.306653  1
  Al  Al13  1  0.325976  0.998854  0.289397  1
  Al  Al14  1  0.664497  0.669646  0.290847  1
  Al  Al15  1  0.993633  0.331146  0.289459  1
  Al  Al16  1  0.367749  0.373091  0.276280  1
  Al  Al17  1  0.287983  0.614583  0.306810  1
  Al  Al18  1  0.609653  0.292990  0.306718  1
  Al  Al19  1  0.721497  0.058948  0.327293  1
  Al  Al20  1  0.054031  0.726377  0.327236  1
  Al  Al21  1  0.980675  0.984858  0.365319  1
  Al  Al22  1  0.348923  0.026550  0.347523  1
  Al  Al23  1  0.686742  0.691132  0.349549  1
  Al  Al24  1  0.021970  0.353373  0.347601  1
  Al  Al25  1  0.390288  0.394627  0.334333  1
  Al  Al26  1  0.313047  0.646758  0.365142  1
  Al  Al27  1  0.642831  0.317075  0.365067  1
  Al  Al28  1  0.455891  0.796434  0.371617  1
  Al  Al29  1  0.792281  0.460049  0.371646  1
  Al  Al30  1  0.834574  0.838740  0.356798  1
  Al  Al31  1  0.204551  0.873955  0.340554  1
  Al  Al32  1  0.539238  0.543803  0.340566  1
  Al  Al33  1  0.869542  0.208999  0.340488  1
  Al  Al34  1  0.244940  0.250376  0.317377  1
  Al  Al35  1  0.160588  0.507557  0.355442  1
  Al  Al36  1  0.503275  0.164877  0.355618  1
  Al  Al37  1  0.604029  0.939737  0.380624  1
  Al  Al38  1  0.936043  0.607745  0.380607  1
  Al  Al39  1  0.862061  0.865227  0.415156  1
  Al  Al40  1  0.232388  0.900314  0.398188  1
  Al  Al41  1  0.567894  0.571548  0.398160  1
  Al  Al42  1  0.896792  0.235946  0.398114  1
  Al  Al43  1  0.273360  0.277589  0.377895  1
  Al  Al44  1  0.189895  0.532760  0.414118  1
  Al  Al45  1  0.529494  0.193131  0.414263  1
  Al  Al46  1  0.340864  0.674455  0.423541  1
  Al  Al47  1  0.671443  0.343944  0.423477  1
  Al  Al48  1  0.714870  0.718166  0.407318  1
  Al  Al49  1  0.083215  0.754818  0.387403  1
  Al  Al50  1  0.419779  0.423095  0.391595  1
  Al  Al51  1  0.750984  0.087032  0.387450  1
  Al  Al52  1  0.126043  0.129874  0.374069  1
  Al  Al53  1  0.049026  0.380218  0.405545  1
  Al  Al54  1  0.376797  0.052558  0.405456  1
  Al  Al55  1  0.484848  0.824060  0.430406  1
  Al  Al56  1  0.820932  0.487965  0.430441  1
  Al  Al57  1  0.741928  0.744250  0.465385  1
  Al  Al58  1  0.111625  0.782562  0.447029  1
  Al  Al59  1  0.447603  0.450070  0.449634  1
  Al  Al60  1  0.779688  0.114443  0.447075  1
  Al  Al61  1  0.154446  0.157209  0.432895  1
  Al  Al62  1  0.075622  0.406829  0.464120  1
  Al  Al63  1  0.404433  0.078128  0.464025  1
  Al  Al64  1  0.218170  0.557900  0.472706  1
  Al  Al65  1  0.555537  0.220504  0.472822  1
  Al  Al66  1  0.595088  0.597763  0.456372  1
  Al  Al67  1  0.965352  0.635367  0.439632  1
  Al  Al68  1  0.301596  0.304728  0.437828  1
  Al  Al69  1  0.632672  0.968021  0.439639  1
  Al  Al70  1  0.008485  0.011749  0.423681  1
  Al  Al71  1  0.924588  0.262859  0.456375  1
  Al  Al72  1  0.260302  0.927121  0.456460  1
  Al  Al73  1  0.367942  0.701366  0.481963  1
  Al  Al74  1  0.699314  0.370056  0.481907  1
  Al  Al75  1  0.622454  0.624138  0.514794  1
  Al  Al76  1  0.994191  0.661656  0.498590  1
  Al  Al77  1  0.329358  0.331508  0.497239  1
  Al  Al78  1  0.659891  0.995941  0.498572  1
  Al  Al79  1  0.035921  0.038219  0.482027  1
  Al  Al80  1  0.952280  0.289767  0.514768  1
  Al  Al81  1  0.288213  0.953823  0.514863  1
  Al  Al82  1  0.102927  0.433052  0.522921  1
  Al  Al83  1  0.431621  0.104471  0.522821  1
  Al  Al84  1  0.475382  0.476938  0.508003  1
  Al  Al85  1  0.848335  0.515236  0.489069  1
  Al  Al86  1  0.182351  0.184087  0.491590  1
  Al  Al87  1  0.513121  0.850458  0.489038  1
  Al  Al88  1  0.888856  0.891051  0.474110  1
  Al  Al89  1  0.807980  0.141096  0.506194  1
  Al  Al90  1  0.139279  0.809876  0.506147  1
  Al  Al91  1  0.245896  0.583836  0.531214  1
  Al  Al92  1  0.582398  0.247313  0.531310  1
  Al  Al93  1  0.503368  0.503946  0.566634  1
  Al  Al94  1  0.875611  0.542587  0.547518  1
  Al  Al95  1  0.210289  0.211050  0.550581  1
  Al  Al96  1  0.541392  0.876803  0.547495  1
  Al  Al97  1  0.915874  0.917070  0.533145  1
  Al  Al98  1  0.836285  0.167737  0.565097  1
  Al  Al99  1  0.166954  0.837163  0.565050  1
  Al  Al100  1  0.979675  0.316916  0.573177  1
  Al  Al101  1  0.316314  0.980280  0.573283  1
  Al  Al102  1  0.357448  0.358629  0.556331  1
  Al  Al103  1  0.726962  0.396316  0.540286  1
  Al  Al104  1  0.063586  0.064891  0.540372  1
  Al  Al105  1  0.395192  0.728026  0.540340  1
  Al  Al106  1  0.769239  0.770694  0.523429  1
  Al  Al107  1  0.686852  0.023900  0.557673  1
  Al  Al108  1  0.023088  0.687663  0.557720  1
  Al  Al109  1  0.130953  0.458484  0.581787  1
  Al  Al110  1  0.458030  0.131534  0.581677  1
  Al  Al111  1  0.386557  0.386694  0.615403  1
  Al  Al112  1  0.754391  0.422612  0.598511  1
  Al  Al113  1  0.091403  0.091736  0.598600  1
  Al  Al114  1  0.422439  0.754498  0.598565  1
  Al  Al115  1  0.796622  0.797221  0.581466  1
  Al  Al116  1  0.714596  0.052374  0.617205  1
  Al  Al117  1  0.052589  0.714361  0.617276  1
  Al  Al118  1  0.865246  0.195380  0.624046  1
  Al  Al119  1  0.195596  0.865094  0.624009  1
  Al  Al120  1  0.238816  0.238572  0.610224  1
  Al  Al121  1  0.609664  0.273451  0.589718  1
  Al  Al122  1  0.942867  0.943027  0.591943  1
  Al  Al123  1  0.273013  0.610108  0.589638  1
  Al  Al124  1  0.650033  0.650766  0.573335  1
  Al  Al125  1  0.569739  0.903434  0.605654  1
  Al  Al126  1  0.903149  0.570039  0.605668  1
  Al  Al127  1  0.007674  0.344848  0.631604  1
  Al  Al128  1  0.345160  0.007322  0.631720  1
  Al  Al129  1  0.267383  0.266108  0.670375  1
  Al  Al130  1  0.638097  0.300066  0.647755  1
  Al  Al131  1  0.970228  0.969426  0.650028  1
  Al  Al132  1  0.300633  0.637510  0.647691  1
  Al  Al133  1  0.678671  0.678480  0.631983  1
  Al  Al134  1  0.599251  0.931090  0.663017  1
  Al  Al135  1  0.931791  0.598598  0.663030  1
  Al  Al136  1  0.742284  0.082533  0.677289  1
  Al  Al137  1  0.083777  0.741021  0.677376  1
  Al  Al138  1  0.118474  0.117932  0.656256  1
  Al  Al139  1  0.484717  0.159680  0.640422  1
  Al  Al140  1  0.824808  0.824449  0.639603  1
  Al  Al141  1  0.160146  0.484150  0.640544  1
  Al  Al142  1  0.532500  0.532092  0.625516  1
  Al  Al143  1  0.450783  0.782001  0.656236  1
  Al  Al144  1  0.782817  0.450085  0.656173  1
  Al  Al145  1  0.893289  0.226162  0.683237  1
  Al  Al146  1  0.227175  0.892285  0.683211  1
  Al  Al147  1  0.147285  0.145977  0.713818  1
  Al  Al148  1  0.505081  0.189971  0.699767  1
  Al  Al149  1  0.853654  0.852302  0.698201  1
  Al  Al150  1  0.191377  0.503538  0.699906  1
  Al  Al151  1  0.564364  0.563036  0.684580  1
  Al  Al152  1  0.476237  0.801257  0.714737  1
  Al  Al153  1  0.802893  0.474635  0.714673  1
  Al  Al154  1  0.621930  0.954953  0.720921  1
  Al  Al155  1  0.956456  0.620314  0.720940  1
  Al  Al156  1  0.997948  0.996578  0.708087  1
  Al  Al157  1  0.377829  0.030718  0.690238  1
  Al  Al158  1  0.709651  0.708470  0.690658  1
  Al  Al159  1  0.032048  0.376596  0.690107  1
  Al  Al160  1  0.418415  0.417514  0.674264  1
  Al  Al161  1  0.327174  0.658101  0.706360  1
  Al  Al162  1  0.659444  0.325758  0.706418  1
