# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84221149
_cell_length_b   11.33986264
_cell_length_c   47.34516962
_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   6049.48837478
_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  0.719884  0.230671  0.284238  1
  Al  Al2  1  0.089640  0.895567  0.296413  1
  Al  Al3  1  0.020539  0.126990  0.324187  1
  Al  Al4  1  0.386963  0.187692  0.304378  1
  Al  Al5  1  0.690231  0.861281  0.294497  1
  Al  Al6  1  0.017937  0.507030  0.283752  1
  Al  Al7  1  0.411942  0.547238  0.291189  1
  Al  Al8  1  0.322788  0.784896  0.315450  1
  Al  Al9  1  0.694906  0.475066  0.332685  1
  Al  Al10  1  0.482272  0.930201  0.329197  1
  Al  Al11  1  0.931175  0.761583  0.282972  1
  Al  Al12  1  0.853342  0.999544  0.308003  1
  Al  Al13  1  0.248553  0.028768  0.294783  1
  Al  Al14  1  0.568486  0.688789  0.305582  1
  Al  Al15  1  0.885961  0.353417  0.299092  1
  Al  Al16  1  0.262149  0.404581  0.276298  1
  Al  Al17  1  0.168789  0.640136  0.300006  1
  Al  Al18  1  0.538580  0.341332  0.319325  1
  Al  Al19  1  0.618321  0.090926  0.320435  1
  Al  Al20  1  0.986950  0.782145  0.337537  1
  Al  Al21  1  0.910348  1.010465  0.365576  1
  Al  Al22  1  0.270650  0.084166  0.347301  1
  Al  Al23  1  0.623682  0.709467  0.361186  1
  Al  Al24  1  0.935156  0.371053  0.354314  1
  Al  Al25  1  0.304312  0.426541  0.331475  1
  Al  Al26  1  0.219866  0.662606  0.357354  1
  Al  Al27  1  0.594469  0.362104  0.376027  1
  Al  Al28  1  0.375414  0.821826  0.372868  1
  Al  Al29  1  0.827439  0.632312  0.320587  1
  Al  Al30  1  0.744381  0.877972  0.349293  1
  Al  Al31  1  0.148575  0.915862  0.352456  1
  Al  Al32  1  0.457516  0.578556  0.347183  1
  Al  Al33  1  0.778021  0.224603  0.338729  1
  Al  Al34  1  0.141286  0.293777  0.313363  1
  Al  Al35  1  0.063472  0.528034  0.339886  1
  Al  Al36  1  0.441500  0.203581  0.360256  1
  Al  Al37  1  0.542999  0.948563  0.387972  1
  Al  Al38  1  0.879718  0.652900  0.378349  1
  Al  Al39  1  0.794787  0.895239  0.407249  1
  Al  Al40  1  0.196669  0.931301  0.411970  1
  Al  Al41  1  0.507771  0.600956  0.404115  1
  Al  Al42  1  0.828557  0.242170  0.395345  1
  Al  Al43  1  0.189082  0.317889  0.371428  1
  Al  Al44  1  0.115723  0.546470  0.398830  1
  Al  Al45  1  0.492233  0.218282  0.417498  1
  Al  Al46  1  0.272337  0.679687  0.415798  1
  Al  Al47  1  0.748100  0.496941  0.391728  1
  Al  Al48  1  0.673681  0.727559  0.419747  1
  Al  Al49  1  0.039363  0.799528  0.395124  1
  Al  Al50  1  0.358293  0.443098  0.388150  1
  Al  Al51  1  0.671729  0.108524  0.377964  1
  Al  Al52  1  0.070188  0.145599  0.383006  1
  Al  Al53  1  0.985417  0.388275  0.411958  1
  Al  Al54  1  0.321803  0.095159  0.402736  1
  Al  Al55  1  0.425997  0.842277  0.431731  1
  Al  Al56  1  0.799196  0.514130  0.450148  1
  Al  Al57  1  0.724078  0.744218  0.478170  1
  Al  Al58  1  0.089114  0.814957  0.453550  1
  Al  Al59  1  0.409624  0.459328  0.445659  1
  Al  Al60  1  0.722583  0.126234  0.436002  1
  Al  Al61  1  0.122218  0.161960  0.441273  1
  Al  Al62  1  0.036847  0.404326  0.469783  1
  Al  Al63  1  0.371757  0.109173  0.459502  1
  Al  Al64  1  0.167571  0.562018  0.456954  1
  Al  Al65  1  0.644884  0.379857  0.433483  1
  Al  Al66  1  0.557811  0.617722  0.461937  1
  Al  Al67  1  0.929933  0.671397  0.436798  1
  Al  Al68  1  0.242172  0.332476  0.429308  1
  Al  Al69  1  0.596445  0.965384  0.447458  1
  Al  Al70  1  0.959458  0.027746  0.424170  1
  Al  Al71  1  0.879309  0.259255  0.452996  1
  Al  Al72  1  0.246427  0.946980  0.470742  1
  Al  Al73  1  0.323121  0.695688  0.474032  1
  Al  Al74  1  0.695057  0.395818  0.491175  1
  Al  Al75  1  0.607939  0.633500  0.519930  1
  Al  Al76  1  0.980809  0.686978  0.495171  1
  Al  Al77  1  0.293985  0.347256  0.486981  1
  Al  Al78  1  0.647583  0.982133  0.506149  1
  Al  Al79  1  0.009630  0.044291  0.482341  1
  Al  Al80  1  0.929948  0.275378  0.510823  1
  Al  Al81  1  0.296751  0.962361  0.529068  1
  Al  Al82  1  0.088006  0.419455  0.527503  1
  Al  Al83  1  0.542329  0.233235  0.475049  1
  Al  Al84  1  0.460364  0.474690  0.503492  1
  Al  Al85  1  0.849658  0.530071  0.508137  1
  Al  Al86  1  0.173393  0.177643  0.499225  1
  Al  Al87  1  0.476503  0.858780  0.490197  1
  Al  Al88  1  0.845360  0.911972  0.465546  1
  Al  Al89  1  0.772916  0.142901  0.493905  1
  Al  Al90  1  0.139330  0.830325  0.511935  1
  Al  Al91  1  0.218722  0.577111  0.515052  1
  Al  Al92  1  0.592669  0.248408  0.532850  1
  Al  Al93  1  0.510954  0.489929  0.561605  1
  Al  Al94  1  0.900176  0.545904  0.565852  1
  Al  Al95  1  0.224499  0.192810  0.557199  1
  Al  Al96  1  0.526736  0.874784  0.548448  1
  Al  Al97  1  0.895890  0.928142  0.523754  1
  Al  Al98  1  0.823452  0.159023  0.551861  1
  Al  Al99  1  0.189745  0.845680  0.570328  1
  Al  Al100  1  0.980497  0.290988  0.568527  1
  Al  Al101  1  0.421689  0.124309  0.516967  1
  Al  Al102  1  0.345086  0.362589  0.544911  1
  Al  Al103  1  0.745113  0.411599  0.548866  1
  Al  Al104  1  0.060183  0.060037  0.540418  1
  Al  Al105  1  0.373495  0.710938  0.532312  1
  Al  Al106  1  0.774419  0.760420  0.536315  1
  Al  Al107  1  0.698220  0.998711  0.564436  1
  Al  Al108  1  0.031900  0.702644  0.553579  1
  Al  Al109  1  0.138921  0.434123  0.584928  1
  Al  Al110  1  0.471717  0.140317  0.574809  1
  Al  Al111  1  0.396428  0.378641  0.603300  1
  Al  Al112  1  0.794998  0.427513  0.606208  1
  Al  Al113  1  0.111124  0.075364  0.598347  1
  Al  Al114  1  0.423108  0.725769  0.590618  1
  Al  Al115  1  0.824878  0.776652  0.594236  1
  Al  Al116  1  0.748815  0.016446  0.622687  1
  Al  Al117  1  0.083245  0.718601  0.612395  1
  Al  Al118  1  0.875420  0.175031  0.610081  1
  Al  Al119  1  0.347242  0.977714  0.587390  1
  Al  Al120  1  0.276174  0.208278  0.615345  1
  Al  Al121  1  0.643516  0.263949  0.590777  1
  Al  Al122  1  0.946372  0.944331  0.581947  1
  Al  Al123  1  0.269413  0.592339  0.573465  1
  Al  Al124  1  0.657758  0.649633  0.577912  1
  Al  Al125  1  0.576666  0.891769  0.606451  1
  Al  Al126  1  0.951171  0.562052  0.623510  1
  Al  Al127  1  0.031366  0.307049  0.625943  1
  Al  Al128  1  0.398077  0.994932  0.646354  1
  Al  Al129  1  0.326763  0.226836  0.673241  1
  Al  Al130  1  0.696728  0.277793  0.648123  1
  Al  Al131  1  -0.002665  0.960880  0.640052  1
  Al  Al132  1  0.319455  0.606849  0.632700  1
  Al  Al133  1  0.708378  0.665463  0.635957  1
  Al  Al134  1  0.628027  0.908759  0.663414  1
  Al  Al135  1  0.001835  0.578325  0.680785  1
  Al  Al136  1  0.805994  0.030867  0.679892  1
  Al  Al137  1  0.240686  0.861064  0.629114  1
  Al  Al138  1  0.163084  0.092821  0.655419  1
  Al  Al139  1  0.521434  0.156710  0.632692  1
  Al  Al140  1  0.875439  0.792940  0.651924  1
  Al  Al141  1  0.188806  0.448658  0.641644  1
  Al  Al142  1  0.561372  0.505829  0.620174  1
  Al  Al143  1  0.474398  0.743263  0.647937  1
  Al  Al144  1  0.846719  0.442738  0.662343  1
  Al  Al145  1  0.931785  0.193377  0.669104  1
  Al  Al146  1  0.293274  0.881619  0.686568  1
  Al  Al147  1  0.197751  0.118510  0.711105  1
  Al  Al148  1  0.578423  0.164571  0.688580  1
  Al  Al149  1  0.928185  0.806197  0.707346  1
  Al  Al150  1  0.236000  0.476793  0.695672  1
  Al  Al151  1  0.617123  0.523127  0.677848  1
  Al  Al152  1  0.531472  0.767648  0.702706  1
  Al  Al153  1  0.897194  0.444308  0.716863  1
  Al  Al154  1  0.684208  0.919611  0.717230  1
  Al  Al155  1  0.135945  0.736465  0.670579  1
  Al  Al156  1  0.050006  0.976967  0.696141  1
  Al  Al157  1  0.442722  0.017199  0.703442  1
  Al  Al158  1  0.765581  0.677873  0.692438  1
  Al  Al159  1  0.084079  0.327934  0.682609  1
  Al  Al160  1  0.451160  0.393864  0.661746  1
  Al  Al161  1  0.376733  0.626221  0.688804  1
  Al  Al162  1  0.748827  0.297079  0.703264  1
