# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03877829
_cell_length_b   9.03821096
_cell_length_c   49.64073709
_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   3973.43438412
_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  0.988353  0.988657  0.302176  1
  Al  Al2  1  0.491928  0.492231  0.303754  1
  Al  Al3  1  0.581337  0.077212  0.271630  1
  Al  Al4  1  0.076885  0.581665  0.271631  1
  Al  Al5  1  0.657695  0.657997  0.337447  1
  Al  Al6  1  0.328292  0.328620  0.271245  1
  Al  Al7  1  0.244602  0.742295  0.303921  1
  Al  Al8  1  0.741992  0.244908  0.303921  1
  Al  Al9  1  0.948580  0.700744  0.320800  1
  Al  Al10  1  0.449412  0.200028  0.321053  1
  Al  Al11  1  0.536154  0.784596  0.287066  1
  Al  Al12  1  0.034193  0.284730  0.286993  1
  Al  Al13  1  0.700440  0.948884  0.320798  1
  Al  Al14  1  0.199721  0.449719  0.321053  1
  Al  Al15  1  0.284416  0.034506  0.286993  1
  Al  Al16  1  0.784284  0.536474  0.287066  1
  Al  Al17  1  0.824667  0.824962  0.370739  1
  Al  Al18  1  0.324284  0.324578  0.370593  1
  Al  Al19  1  0.408630  0.908861  0.337227  1
  Al  Al20  1  0.908560  0.408931  0.337227  1
  Al  Al21  1  0.491024  0.491310  0.403871  1
  Al  Al22  1  0.157155  0.157456  0.336768  1
  Al  Al23  1  0.074439  0.575502  0.370589  1
  Al  Al24  1  0.575209  0.074733  0.370589  1
  Al  Al25  1  0.782953  0.533054  0.387252  1
  Al  Al26  1  0.282708  0.033185  0.387051  1
  Al  Al27  1  0.366353  0.616689  0.353856  1
  Al  Al28  1  0.866887  0.116381  0.353499  1
  Al  Al29  1  0.532764  0.783244  0.387252  1
  Al  Al30  1  0.032895  0.282998  0.387051  1
  Al  Al31  1  0.116087  0.867183  0.353499  1
  Al  Al32  1  0.616393  0.366649  0.353856  1
  Al  Al33  1  0.657523  0.657803  0.437265  1
  Al  Al34  1  0.157557  0.157836  0.437174  1
  Al  Al35  1  0.240860  0.741695  0.403795  1
  Al  Al36  1  0.741409  0.241146  0.403794  1
  Al  Al37  1  0.324017  0.324290  0.470588  1
  Al  Al38  1  0.991156  0.991442  0.403774  1
  Al  Al39  1  0.907640  0.407693  0.437219  1
  Al  Al40  1  0.407413  0.907920  0.437219  1
  Al  Al41  1  0.615861  0.365958  0.453898  1
  Al  Al42  1  0.115733  0.866144  0.453906  1
  Al  Al43  1  0.199209  0.449670  0.420561  1
  Al  Al44  1  0.699356  0.949620  0.420653  1
  Al  Al45  1  0.365682  0.616137  0.453898  1
  Al  Al46  1  0.865867  0.116009  0.453906  1
  Al  Al47  1  0.949336  0.699640  0.420653  1
  Al  Al48  1  0.449387  0.199492  0.420561  1
  Al  Al49  1  0.490472  0.490738  0.503968  1
  Al  Al50  1  0.990462  0.990728  0.503982  1
  Al  Al51  1  0.074008  0.574279  0.470628  1
  Al  Al52  1  0.574006  0.074281  0.470628  1
  Al  Al53  1  0.156912  0.157171  0.537303  1
  Al  Al54  1  0.824004  0.824277  0.470654  1
  Al  Al55  1  0.740532  0.240677  0.503979  1
  Al  Al56  1  0.240411  0.740798  0.503979  1
  Al  Al57  1  0.448724  0.198955  0.520636  1
  Al  Al58  1  0.948669  0.698970  0.520675  1
  Al  Al59  1  0.032270  0.282472  0.487264  1
  Al  Al60  1  0.532182  0.782525  0.487291  1
  Al  Al61  1  0.198693  0.448986  0.520636  1
  Al  Al62  1  0.698707  0.948932  0.520675  1
  Al  Al63  1  0.782255  0.532451  0.487291  1
  Al  Al64  1  0.282202  0.032539  0.487264  1
  Al  Al65  1  0.323400  0.323652  0.570625  1
  Al  Al66  1  0.823395  0.823648  0.570744  1
  Al  Al67  1  0.906974  0.407111  0.537335  1
  Al  Al68  1  0.406852  0.907233  0.537335  1
  Al  Al69  1  0.989805  0.990051  0.604266  1
  Al  Al70  1  0.656920  0.657179  0.537355  1
  Al  Al71  1  0.573428  0.073598  0.570683  1
  Al  Al72  1  0.073346  0.573680  0.570683  1
  Al  Al73  1  0.281347  0.032021  0.587371  1
  Al  Al74  1  0.781758  0.531732  0.587397  1
  Al  Al75  1  0.865238  0.115299  0.554068  1
  Al  Al76  1  0.365095  0.615502  0.554038  1
  Al  Al77  1  0.031772  0.281596  0.587371  1
  Al  Al78  1  0.531483  0.782007  0.587397  1
  Al  Al79  1  0.615247  0.365351  0.554038  1
  Al  Al80  1  0.115043  0.865494  0.554068  1
  Al  Al81  1  0.155942  0.156182  0.637590  1
  Al  Al82  1  0.656257  0.656497  0.637359  1
  Al  Al83  1  0.740099  0.239895  0.604137  1
  Al  Al84  1  0.239649  0.740345  0.604137  1
  Al  Al85  1  0.822887  0.823117  0.670637  1
  Al  Al86  1  0.489842  0.490088  0.604064  1
  Al  Al87  1  0.405779  0.907404  0.637399  1
  Al  Al88  1  0.907166  0.406017  0.637399  1
  Al  Al89  1  0.114683  0.864636  0.654450  1
  Al  Al90  1  0.614690  0.364443  0.654045  1
  Al  Al91  1  0.698080  0.948405  0.620780  1
  Al  Al92  1  0.198057  0.448228  0.620602  1
  Al  Al93  1  0.864400  0.114919  0.654451  1
  Al  Al94  1  0.364208  0.614926  0.654046  1
  Al  Al95  1  0.447987  0.198298  0.620602  1
  Al  Al96  1  0.948163  0.698322  0.620780  1
  Al  Al97  1  0.988575  0.988798  0.704674  1
  Al  Al98  1  0.486447  0.486671  0.703482  1
  Al  Al99  1  0.573564  0.074297  0.670548  1
  Al  Al100  1  0.074067  0.573792  0.670548  1
  Al  Al101  1  0.650949  0.651152  0.735582  1
  Al  Al102  1  0.322325  0.322554  0.670232  1
  Al  Al103  1  0.242406  0.739204  0.705011  1
  Al  Al104  1  0.738980  0.242633  0.705011  1
  Al  Al105  1  0.945706  0.694415  0.720340  1
  Al  Al106  1  0.444963  0.194892  0.720507  1
  Al  Al107  1  0.530249  0.782274  0.686818  1
  Al  Al108  1  0.030760  0.281457  0.687862  1
  Al  Al109  1  0.694207  0.945923  0.720341  1
  Al  Al110  1  0.194681  0.445173  0.720507  1
  Al  Al111  1  0.281226  0.030991  0.687862  1
  Al  Al112  1  0.782045  0.530479  0.686817  1
