# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58218995
_cell_length_b   11.50193199
_cell_length_c   46.99114433
_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   5956.34524268
_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  0.794375  0.145302  0.277653  1
  Al  Al2  1  0.145261  0.861172  0.277414  1
  Al  Al3  1  0.055675  0.109883  0.312202  1
  Al  Al4  1  0.421958  0.180964  0.299318  1
  Al  Al5  1  0.761504  0.892056  0.275388  1
  Al  Al6  1  0.119162  0.430785  0.306063  1
  Al  Al7  1  0.604799  0.507238  0.276338  1
  Al  Al8  1  0.394130  0.734280  0.288732  1
  Al  Al9  1  0.728777  0.448335  0.328468  1
  Al  Al10  1  0.559521  0.870057  0.306250  1
  Al  Al11  1  0.980945  0.698412  0.293496  1
  Al  Al12  1  0.931703  0.945995  0.309190  1
  Al  Al13  1  0.309101  0.992078  0.307357  1
  Al  Al14  1  0.756622  0.645664  0.291690  1
  Al  Al15  1  0.899595  0.349396  0.290160  1
  Al  Al16  1  0.379084  0.446704  0.279896  1
  Al  Al17  1  0.217243  0.631342  0.310362  1
  Al  Al18  1  0.589071  0.305963  0.309043  1
  Al  Al19  1  0.660594  0.056081  0.319865  1
  Al  Al20  1  0.030111  0.732556  0.355575  1
  Al  Al21  1  0.964394  0.987793  0.364467  1
  Al  Al22  1  0.346475  0.020963  0.371011  1
  Al  Al23  1  0.655576  0.678511  0.347068  1
  Al  Al24  1  0.978658  0.322105  0.347696  1
  Al  Al25  1  0.345255  0.397623  0.335771  1
  Al  Al26  1  0.271973  0.639460  0.366227  1
  Al  Al27  1  0.615024  0.342339  0.367276  1
  Al  Al28  1  0.412887  0.795621  0.347811  1
  Al  Al29  1  0.909690  0.564906  0.338545  1
  Al  Al30  1  0.800032  0.820694  0.335563  1
  Al  Al31  1  0.172756  0.867017  0.334286  1
  Al  Al32  1  0.476755  0.554427  0.329048  1
  Al  Al33  1  0.818202  0.191953  0.334698  1
  Al  Al34  1  0.229624  0.217494  0.338070  1
  Al  Al35  1  0.138854  0.464295  0.366947  1
  Al  Al36  1  0.477262  0.182953  0.359466  1
  Al  Al37  1  0.593458  0.916576  0.366533  1
  Al  Al38  1  0.950822  0.605034  0.399707  1
  Al  Al39  1  0.851299  0.859111  0.397455  1
  Al  Al40  1  0.209071  0.873429  0.390010  1
  Al  Al41  1  0.527279  0.590032  0.385681  1
  Al  Al42  1  0.855302  0.225015  0.392761  1
  Al  Al43  1  0.272146  0.251033  0.398480  1
  Al  Al44  1  0.183009  0.490943  0.427617  1
  Al  Al45  1  0.517192  0.213414  0.419152  1
  Al  Al46  1  0.326180  0.658646  0.422300  1
  Al  Al47  1  0.786745  0.477079  0.383802  1
  Al  Al48  1  0.701285  0.711239  0.404723  1
  Al  Al49  1  0.079139  0.755079  0.420058  1
  Al  Al50  1  0.391469  0.427366  0.393000  1
  Al  Al51  1  0.711098  0.083540  0.378522  1
  Al  Al52  1  0.105155  0.126062  0.379566  1
  Al  Al53  1  0.017598  0.354497  0.408117  1
  Al  Al54  1  0.384997  0.052836  0.432638  1
  Al  Al55  1  0.454360  0.828391  0.408081  1
  Al  Al56  1  0.823515  0.509745  0.441653  1
  Al  Al57  1  0.737919  0.741588  0.464226  1
  Al  Al58  1  0.115976  0.784499  0.482110  1
  Al  Al59  1  0.431373  0.452954  0.453104  1
  Al  Al60  1  0.748506  0.117896  0.438818  1
  Al  Al61  1  0.141995  0.156755  0.440816  1
  Al  Al62  1  0.052765  0.384071  0.468469  1
  Al  Al63  1  0.420212  0.080517  0.493269  1
  Al  Al64  1  0.219592  0.518769  0.488153  1
  Al  Al65  1  0.652997  0.380937  0.423913  1
  Al  Al66  1  0.566029  0.622535  0.444375  1
  Al  Al67  1  0.988079  0.633567  0.461073  1
  Al  Al68  1  0.309046  0.279357  0.459525  1
  Al  Al69  1  0.635181  0.947117  0.426744  1
  Al  Al70  1  1.000664  0.015040  0.422582  1
  Al  Al71  1  0.890086  0.257800  0.452068  1
  Al  Al72  1  0.241490  0.896065  0.447042  1
  Al  Al73  1  0.362959  0.684778  0.480244  1
  Al  Al74  1  0.686069  0.411445  0.481579  1
  Al  Al75  1  0.600613  0.651214  0.503391  1
  Al  Al76  1  0.021777  0.662457  0.521842  1
  Al  Al77  1  0.343978  0.307430  0.519836  1
  Al  Al78  1  0.671940  0.976034  0.487223  1
  Al  Al79  1  0.033084  0.045112  0.481405  1
  Al  Al80  1  0.924633  0.288311  0.511745  1
  Al  Al81  1  0.273495  0.922297  0.505519  1
  Al  Al82  1  0.087481  0.412481  0.528639  1
  Al  Al83  1  0.552389  0.240580  0.479638  1
  Al  Al84  1  0.467372  0.480591  0.512637  1
  Al  Al85  1  0.857240  0.539015  0.500925  1
  Al  Al86  1  0.176793  0.184116  0.501403  1
  Al  Al87  1  0.488992  0.857725  0.467957  1
  Al  Al88  1  0.889281  0.890873  0.457925  1
  Al  Al89  1  0.782915  0.149907  0.499286  1
  Al  Al90  1  0.149666  0.813937  0.542998  1
  Al  Al91  1  0.253879  0.547059  0.548104  1
  Al  Al92  1  0.585300  0.268246  0.540208  1
  Al  Al93  1  0.501410  0.507427  0.572021  1
  Al  Al94  1  0.890699  0.566971  0.560685  1
  Al  Al95  1  0.210816  0.210747  0.561486  1
  Al  Al96  1  0.522479  0.884841  0.527779  1
  Al  Al97  1  0.922898  0.921250  0.518058  1
  Al  Al98  1  0.815419  0.181121  0.560034  1
  Al  Al99  1  0.182099  0.842614  0.603517  1
  Al  Al100  1  0.959401  0.316822  0.571595  1
  Al  Al101  1  0.454150  0.107123  0.553400  1
  Al  Al102  1  0.377505  0.334588  0.579800  1
  Al  Al103  1  0.718577  0.439757  0.539796  1
  Al  Al104  1  0.064348  0.074169  0.541019  1
  Al  Al105  1  0.396524  0.712177  0.539157  1
  Al  Al106  1  0.771862  0.769935  0.524258  1
  Al  Al107  1  0.706619  1.004187  0.547812  1
  Al  Al108  1  0.054517  0.690817  0.582249  1
  Al  Al109  1  0.121407  0.440345  0.588541  1
  Al  Al110  1  0.487795  0.132497  0.613194  1
  Al  Al111  1  0.410430  0.362593  0.639357  1
  Al  Al112  1  0.750622  0.466503  0.597974  1
  Al  Al113  1  0.095806  0.102424  0.600888  1
  Al  Al114  1  0.429156  0.739174  0.598716  1
  Al  Al115  1  0.804844  0.796870  0.584509  1
  Al  Al116  1  0.740475  0.031801  0.608571  1
  Al  Al117  1  0.086233  0.719204  0.642595  1
  Al  Al118  1  0.847736  0.211921  0.620980  1
  Al  Al119  1  0.305936  0.949249  0.565017  1
  Al  Al120  1  0.245287  0.236743  0.621140  1
  Al  Al121  1  0.617503  0.295149  0.600734  1
  Al  Al122  1  0.955011  0.950203  0.578252  1
  Al  Al123  1  0.286793  0.575168  0.607446  1
  Al  Al124  1  0.633589  0.678277  0.562792  1
  Al  Al125  1  0.555885  0.910579  0.587640  1
  Al  Al126  1  0.924046  0.593622  0.620955  1
  Al  Al127  1  0.996287  0.343402  0.631613  1
  Al  Al128  1  0.339395  0.974980  0.625113  1
  Al  Al129  1  0.281264  0.264018  0.679323  1
  Al  Al130  1  0.648931  0.321386  0.660602  1
  Al  Al131  1  0.987619  0.978787  0.638722  1
  Al  Al132  1  0.319848  0.600955  0.665827  1
  Al  Al133  1  0.666533  0.703248  0.622627  1
  Al  Al134  1  0.590084  0.933555  0.647548  1
  Al  Al135  1  0.956748  0.616771  0.681201  1
  Al  Al136  1  0.774959  0.056799  0.668409  1
  Al  Al137  1  0.214764  0.868875  0.663778  1
  Al  Al138  1  0.129633  0.127713  0.660274  1
  Al  Al139  1  0.522229  0.157583  0.671286  1
  Al  Al140  1  0.837892  0.822782  0.644557  1
  Al  Al141  1  0.155846  0.469151  0.647882  1
  Al  Al142  1  0.534775  0.533648  0.631331  1
  Al  Al143  1  0.462019  0.762671  0.658889  1
  Al  Al144  1  0.783009  0.487590  0.655417  1
  Al  Al145  1  0.879578  0.243532  0.681554  1
  Al  Al146  1  0.252837  0.888392  0.723421  1
  Al  Al147  1  0.177080  0.146356  0.718967  1
  Al  Al148  1  0.424704  0.170285  0.726978  1
  Al  Al149  1  0.867370  0.848084  0.705159  1
  Al  Al150  1  0.195265  0.491420  0.707850  1
  Al  Al151  1  0.571457  0.553462  0.690729  1
  Al  Al152  1  0.504759  0.785559  0.718450  1
  Al  Al153  1  0.809999  0.492404  0.713067  1
  Al  Al154  1  0.621211  0.967038  0.707978  1
  Al  Al155  1  0.118989  0.742496  0.702562  1
  Al  Al156  1  0.015623  1.005618  0.698868  1
  Al  Al157  1  0.377495  0.999451  0.684728  1
  Al  Al158  1  0.704461  0.722291  0.682205  1
  Al  Al159  1  0.038039  0.366718  0.690854  1
  Al  Al160  1  0.448136  0.384603  0.699967  1
  Al  Al161  1  0.358947  0.623350  0.723752  1
  Al  Al162  1  0.669995  0.205462  0.714985  1
