# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95779071
_cell_length_b   8.95820328
_cell_length_c   50.01228255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al112
_cell_volume   3932.18658691
_cell_formula_units_Z   112
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  0.789391  0.037075  0.283343  1
  Al  Al2  1  0.285761  0.534858  0.283103  1
  Al  Al3  1  0.199850  0.956242  0.316176  1
  Al  Al4  1  0.701625  0.454136  0.317591  1
  Al  Al5  1  0.036093  0.790370  0.283343  1
  Al  Al6  1  0.533876  0.286743  0.283103  1
  Al  Al7  1  0.453155  0.702607  0.317591  1
  Al  Al8  1  0.955259  0.200832  0.316177  1
  Al  Al9  1  0.744268  0.745255  0.298626  1
  Al  Al10  1  0.236489  0.237475  0.295641  1
  Al  Al11  1  0.329119  0.831181  0.270331  1
  Al  Al12  1  0.830209  0.330092  0.270331  1
  Al  Al13  1  0.911490  0.912475  0.332991  1
  Al  Al14  1  0.579625  0.580599  0.269429  1
  Al  Al15  1  0.498013  0.995971  0.298784  1
  Al  Al16  1  0.994985  0.498998  0.298785  1
  Al  Al17  1  0.620234  0.871461  0.348805  1
  Al  Al18  1  0.121002  0.370376  0.348294  1
  Al  Al19  1  0.036345  0.787054  0.382614  1
  Al  Al20  1  0.536162  0.287279  0.382597  1
  Al  Al21  1  0.870473  0.621221  0.348805  1
  Al  Al22  1  0.369388  0.121989  0.348293  1
  Al  Al23  1  0.286291  0.537150  0.382597  1
  Al  Al24  1  0.786066  0.037333  0.382614  1
  Al  Al25  1  0.577773  0.578759  0.366311  1
  Al  Al26  1  0.078612  0.079598  0.366277  1
  Al  Al27  1  0.162502  0.662289  0.332790  1
  Al  Al28  1  0.661303  0.163487  0.332790  1
  Al  Al29  1  0.744451  0.745441  0.399169  1
  Al  Al30  1  0.409145  0.410129  0.332037  1
  Al  Al31  1  0.327408  0.830746  0.365861  1
  Al  Al32  1  0.829760  0.328394  0.365861  1
  Al  Al33  1  0.452448  0.704035  0.416083  1
  Al  Al34  1  0.952671  0.203778  0.416142  1
  Al  Al35  1  0.869160  0.619991  0.449423  1
  Al  Al36  1  0.369129  0.120061  0.449469  1
  Al  Al37  1  0.703045  0.453437  0.416083  1
  Al  Al38  1  0.202789  0.953660  0.416142  1
  Al  Al39  1  0.119069  0.370121  0.449469  1
  Al  Al40  1  0.618999  0.870153  0.449423  1
  Al  Al41  1  0.410959  0.411950  0.432857  1
  Al  Al42  1  0.910806  0.911797  0.432769  1
  Al  Al43  1  0.994799  0.495141  0.399013  1
  Al  Al44  1  0.494151  0.995788  0.399013  1
  Al  Al45  1  0.577354  0.578347  0.466232  1
  Al  Al46  1  0.244730  0.245719  0.399187  1
  Al  Al47  1  0.160796  0.661774  0.432775  1
  Al  Al48  1  0.660783  0.161787  0.432775  1
  Al  Al49  1  0.285414  0.536526  0.483002  1
  Al  Al50  1  0.785443  0.036399  0.483000  1
  Al  Al51  1  0.701881  0.452911  0.516439  1
  Al  Al52  1  0.201819  0.952834  0.516434  1
  Al  Al53  1  0.535532  0.286408  0.483002  1
  Al  Al54  1  0.035405  0.786437  0.483000  1
  Al  Al55  1  0.951838  0.202815  0.516434  1
  Al  Al56  1  0.451915  0.702877  0.516439  1
  Al  Al57  1  0.243637  0.244632  0.499694  1
  Al  Al58  1  0.743693  0.744688  0.499700  1
  Al  Al59  1  0.827275  0.328286  0.466281  1
  Al  Al60  1  0.327293  0.828268  0.466281  1
  Al  Al61  1  0.410025  0.411022  0.533142  1
  Al  Al62  1  0.077252  0.078245  0.466256  1
  Al  Al63  1  0.993678  0.494693  0.499727  1
  Al  Al64  1  0.493698  0.994673  0.499727  1
  Al  Al65  1  0.118318  0.369139  0.549962  1
  Al  Al66  1  0.618313  0.869316  0.549977  1
  Al  Al67  1  0.533962  0.285989  0.583436  1
  Al  Al68  1  0.034787  0.785437  0.583513  1
  Al  Al69  1  0.368141  0.119316  0.549962  1
  Al  Al70  1  0.868318  0.619311  0.549977  1
  Al  Al71  1  0.784438  0.035786  0.583513  1
  Al  Al72  1  0.284989  0.534962  0.583436  1
  Al  Al73  1  0.076499  0.077498  0.566607  1
  Al  Al74  1  0.576490  0.577488  0.566591  1
  Al  Al75  1  0.660005  0.161040  0.533246  1
  Al  Al76  1  0.160043  0.661002  0.533246  1
  Al  Al77  1  0.243021  0.244022  0.600438  1
  Al  Al78  1  0.910042  0.911039  0.533258  1
  Al  Al79  1  0.826438  0.327412  0.566576  1
  Al  Al80  1  0.326413  0.827437  0.566576  1
  Al  Al81  1  0.951081  0.202002  0.616655  1
  Al  Al82  1  0.450776  0.701581  0.616578  1
  Al  Al83  1  0.367823  0.118382  0.650847  1
  Al  Al84  1  0.867168  0.617545  0.650414  1
  Al  Al85  1  0.201000  0.952083  0.616655  1
  Al  Al86  1  0.700579  0.451778  0.616578  1
  Al  Al87  1  0.616542  0.868171  0.650414  1
  Al  Al88  1  0.117379  0.368826  0.650847  1
  Al  Al89  1  0.908918  0.909920  0.633642  1
  Al  Al90  1  0.408360  0.409362  0.634452  1
  Al  Al91  1  0.492700  0.993994  0.600221  1
  Al  Al92  1  0.992994  0.493701  0.600221  1
  Al  Al93  1  0.076940  0.077945  0.666151  1
  Al  Al94  1  0.742970  0.743971  0.600264  1
  Al  Al95  1  0.656971  0.162083  0.633568  1
  Al  Al96  1  0.161080  0.657974  0.633569  1
  Al  Al97  1  0.781314  0.039172  0.682131  1
  Al  Al98  1  0.284237  0.535465  0.685230  1
  Al  Al99  1  0.200727  0.948169  0.714636  1
  Al  Al100  1  0.701063  0.449819  0.714419  1
  Al  Al101  1  0.038167  0.782319  0.682132  1
  Al  Al102  1  0.534462  0.285240  0.685230  1
  Al  Al103  1  0.448807  0.702076  0.714420  1
  Al  Al104  1  0.947156  0.201736  0.714636  1
  Al  Al105  1  0.740581  0.741586  0.699704  1
  Al  Al106  1  0.242297  0.243304  0.700832  1
  Al  Al107  1  0.327377  0.828542  0.666096  1
  Al  Al108  1  0.827536  0.328383  0.666096  1
  Al  Al109  1  0.908108  0.909128  0.727343  1
  Al  Al110  1  0.575028  0.576035  0.665734  1
  Al  Al111  1  0.499312  0.996323  0.701621  1
  Al  Al112  1  0.995316  0.500316  0.701621  1
