# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05285560
_cell_length_b   9.05174618
_cell_length_c   50.21269525
_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   4031.5041413
_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  0.789685  0.038030  0.285685  1
  Al  Al2  1  0.286245  0.536052  0.285327  1
  Al  Al3  1  0.200507  0.956649  0.318167  1
  Al  Al4  1  0.702136  0.454432  0.319596  1
  Al  Al5  1  0.037088  0.790639  0.285686  1
  Al  Al6  1  0.535109  0.287189  0.285327  1
  Al  Al7  1  0.453491  0.703077  0.319596  1
  Al  Al8  1  0.955711  0.201445  0.318164  1
  Al  Al9  1  0.744674  0.745603  0.300683  1
  Al  Al10  1  0.240279  0.241211  0.299517  1
  Al  Al11  1  0.330488  0.827551  0.272762  1
  Al  Al12  1  0.826582  0.331456  0.272761  1
  Al  Al13  1  0.911415  0.912349  0.335004  1
  Al  Al14  1  0.578810  0.579778  0.271708  1
  Al  Al15  1  0.497995  0.995560  0.300889  1
  Al  Al16  1  0.994629  0.498929  0.300889  1
  Al  Al17  1  0.620347  0.871427  0.351032  1
  Al  Al18  1  0.120314  0.370881  0.350721  1
  Al  Al19  1  0.036123  0.786917  0.384803  1
  Al  Al20  1  0.535939  0.286814  0.384669  1
  Al  Al21  1  0.870503  0.621271  0.351032  1
  Al  Al22  1  0.369958  0.121239  0.350722  1
  Al  Al23  1  0.285894  0.536858  0.384669  1
  Al  Al24  1  0.785997  0.037043  0.384803  1
  Al  Al25  1  0.577984  0.578909  0.368515  1
  Al  Al26  1  0.078403  0.079330  0.368278  1
  Al  Al27  1  0.162214  0.662806  0.334741  1
  Al  Al28  1  0.661875  0.163147  0.334741  1
  Al  Al29  1  0.744327  0.745241  0.401477  1
  Al  Al30  1  0.410045  0.410977  0.334369  1
  Al  Al31  1  0.327299  0.830475  0.368092  1
  Al  Al32  1  0.829551  0.328224  0.368091  1
  Al  Al33  1  0.452064  0.703462  0.418325  1
  Al  Al34  1  0.952422  0.203242  0.418346  1
  Al  Al35  1  0.868583  0.619347  0.451718  1
  Al  Al36  1  0.368477  0.119500  0.451693  1
  Al  Al37  1  0.702551  0.452975  0.418325  1
  Al  Al38  1  0.202330  0.953334  0.418346  1
  Al  Al39  1  0.118597  0.369380  0.451692  1
  Al  Al40  1  0.618445  0.869485  0.451718  1
  Al  Al41  1  0.410360  0.411267  0.434942  1
  Al  Al42  1  0.910388  0.911295  0.435026  1
  Al  Al43  1  0.994417  0.494976  0.401362  1
  Al  Al44  1  0.494062  0.995332  0.401363  1
  Al  Al45  1  0.576600  0.577499  0.468477  1
  Al  Al46  1  0.244313  0.245227  0.401305  1
  Al  Al47  1  0.160369  0.661198  0.434984  1
  Al  Al48  1  0.660291  0.161276  0.434984  1
  Al  Al49  1  0.284679  0.535546  0.485204  1
  Al  Al50  1  0.784649  0.035578  0.485238  1
  Al  Al51  1  0.700909  0.451750  0.518684  1
  Al  Al52  1  0.200861  0.951793  0.518722  1
  Al  Al53  1  0.534652  0.285573  0.485204  1
  Al  Al54  1  0.034683  0.785544  0.485238  1
  Al  Al55  1  0.950907  0.201747  0.518722  1
  Al  Al56  1  0.450864  0.701795  0.518684  1
  Al  Al57  1  0.242787  0.243677  0.501972  1
  Al  Al58  1  0.742800  0.743690  0.501968  1
  Al  Al59  1  0.826644  0.327468  0.468511  1
  Al  Al60  1  0.326569  0.827543  0.468512  1
  Al  Al61  1  0.408919  0.409801  0.535422  1
  Al  Al62  1  0.076621  0.077520  0.468523  1
  Al  Al63  1  0.992864  0.493631  0.501973  1
  Al  Al64  1  0.492740  0.993754  0.501973  1
  Al  Al65  1  0.117162  0.367861  0.552258  1
  Al  Al66  1  0.617025  0.868069  0.552213  1
  Al  Al67  1  0.532773  0.284350  0.585708  1
  Al  Al68  1  0.033374  0.783946  0.585716  1
  Al  Al69  1  0.366983  0.118040  0.552259  1
  Al  Al70  1  0.867191  0.617903  0.552213  1
  Al  Al71  1  0.783076  0.034245  0.585717  1
  Al  Al72  1  0.283481  0.533643  0.585707  1
  Al  Al73  1  0.075235  0.076109  0.568943  1
  Al  Al74  1  0.575177  0.576050  0.568825  1
  Al  Al75  1  0.658882  0.159879  0.535465  1
  Al  Al76  1  0.158997  0.659764  0.535465  1
  Al  Al77  1  0.241546  0.242413  0.602698  1
  Al  Al78  1  0.908967  0.909849  0.535481  1
  Al  Al79  1  0.825192  0.326002  0.568887  1
  Al  Al80  1  0.325129  0.826065  0.568887  1
  Al  Al81  1  0.949479  0.200292  0.619081  1
  Al  Al82  1  0.449380  0.700015  0.618924  1
  Al  Al83  1  0.365808  0.116654  0.653065  1
  Al  Al84  1  0.865359  0.616065  0.652732  1
  Al  Al85  1  0.199431  0.950339  0.619081  1
  Al  Al86  1  0.699155  0.450239  0.618924  1
  Al  Al87  1  0.615211  0.866215  0.652732  1
  Al  Al88  1  0.115799  0.366664  0.653065  1
  Al  Al89  1  0.907194  0.908055  0.635942  1
  Al  Al90  1  0.406883  0.407741  0.636502  1
  Al  Al91  1  0.491204  0.992430  0.602539  1
  Al  Al92  1  0.991564  0.492070  0.602539  1
  Al  Al93  1  0.074139  0.074986  0.668836  1
  Al  Al94  1  0.741438  0.742305  0.602435  1
  Al  Al95  1  0.655594  0.159850  0.635872  1
  Al  Al96  1  0.158993  0.656452  0.635870  1
  Al  Al97  1  0.778770  0.037316  0.684739  1
  Al  Al98  1  0.282676  0.533018  0.687220  1
  Al  Al99  1  0.198846  0.946352  0.717073  1
  Al  Al100  1  0.699142  0.448805  0.716487  1
  Al  Al101  1  0.036468  0.779617  0.684736  1
  Al  Al102  1  0.532166  0.283528  0.687220  1
  Al  Al103  1  0.447981  0.699967  0.716487  1
  Al  Al104  1  0.945532  0.199680  0.717074  1
  Al  Al105  1  0.739286  0.740131  0.702274  1
  Al  Al106  1  0.239730  0.240573  0.702791  1
  Al  Al107  1  0.325249  0.826066  0.668542  1
  Al  Al108  1  0.825222  0.326094  0.668542  1
  Al  Al109  1  0.908382  0.909187  0.729179  1
  Al  Al110  1  0.573462  0.574306  0.668269  1
  Al  Al111  1  0.495212  0.992713  0.703301  1
  Al  Al112  1  0.991870  0.496062  0.703302  1
