# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98732671
_cell_length_b   8.98983984
_cell_length_c   49.83790200
_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   3945.28019341
_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  0.004520  0.005085  0.297667  1
  Al  Al2  1  0.504520  0.505085  0.297667  1
  Al  Al3  1  0.418784  0.919331  0.330635  1
  Al  Al4  1  0.918784  0.419331  0.330635  1
  Al  Al5  1  0.838978  0.839389  0.266108  1
  Al  Al6  1  0.338978  0.339389  0.266108  1
  Al  Al7  1  0.248219  0.748799  0.296040  1
  Al  Al8  1  0.748219  0.248799  0.296040  1
  Al  Al9  1  0.962758  0.709465  0.314494  1
  Al  Al10  1  0.462758  0.209465  0.314494  1
  Al  Al11  1  0.543609  0.796637  0.280987  1
  Al  Al12  1  0.043609  0.296637  0.280987  1
  Al  Al13  1  0.708914  0.963311  0.314486  1
  Al  Al14  1  0.208914  0.463311  0.314486  1
  Al  Al15  1  0.296137  0.044128  0.280988  1
  Al  Al16  1  0.796137  0.544128  0.280988  1
  Al  Al17  1  0.837412  0.837984  0.363731  1
  Al  Al18  1  0.337412  0.337984  0.363731  1
  Al  Al19  1  0.253597  0.754171  0.397358  1
  Al  Al20  1  0.753597  0.254171  0.397358  1
  Al  Al21  1  0.670309  0.670863  0.331139  1
  Al  Al22  1  0.170309  0.170863  0.331139  1
  Al  Al23  1  0.086952  0.587512  0.364314  1
  Al  Al24  1  0.586952  0.087512  0.364314  1
  Al  Al25  1  0.795346  0.545812  0.380724  1
  Al  Al26  1  0.295346  0.045812  0.380724  1
  Al  Al27  1  0.378421  0.629805  0.347118  1
  Al  Al28  1  0.878421  0.129805  0.347118  1
  Al  Al29  1  0.545241  0.795914  0.380724  1
  Al  Al30  1  0.045241  0.295914  0.380724  1
  Al  Al31  1  0.129242  0.878992  0.347119  1
  Al  Al32  1  0.629242  0.378992  0.347119  1
  Al  Al33  1  0.669994  0.670576  0.430797  1
  Al  Al34  1  0.169994  0.170576  0.430797  1
  Al  Al35  1  0.086587  0.587176  0.464204  1
  Al  Al36  1  0.586587  0.087176  0.464204  1
  Al  Al37  1  0.503481  0.504057  0.397257  1
  Al  Al38  1  0.003481  0.004057  0.397257  1
  Al  Al39  1  0.920070  0.420652  0.430815  1
  Al  Al40  1  0.420070  0.920652  0.430815  1
  Al  Al41  1  0.628281  0.378917  0.447485  1
  Al  Al42  1  0.128281  0.878917  0.447485  1
  Al  Al43  1  0.212044  0.462211  0.414088  1
  Al  Al44  1  0.712044  0.962211  0.414088  1
  Al  Al45  1  0.378332  0.628866  0.447485  1
  Al  Al46  1  0.878332  0.128866  0.447485  1
  Al  Al47  1  0.961634  0.712622  0.414088  1
  Al  Al48  1  0.461634  0.212622  0.414088  1
  Al  Al49  1  0.503092  0.503688  0.497639  1
  Al  Al50  1  0.003092  0.003688  0.497639  1
  Al  Al51  1  0.919603  0.420207  0.531048  1
  Al  Al52  1  0.419603  0.920207  0.531048  1
  Al  Al53  1  0.336573  0.337161  0.464222  1
  Al  Al54  1  0.836573  0.837161  0.464222  1
  Al  Al55  1  0.753084  0.253680  0.497631  1
  Al  Al56  1  0.253084  0.753680  0.497631  1
  Al  Al57  1  0.461360  0.211948  0.514342  1
  Al  Al58  1  0.961360  0.711948  0.514342  1
  Al  Al59  1  0.044827  0.295407  0.480928  1
  Al  Al60  1  0.544827  0.795407  0.480928  1
  Al  Al61  1  0.211348  0.461960  0.514342  1
  Al  Al62  1  0.711348  0.961960  0.514342  1
  Al  Al63  1  0.794815  0.545420  0.480928  1
  Al  Al64  1  0.294815  0.045420  0.480928  1
  Al  Al65  1  0.336105  0.336716  0.564455  1
  Al  Al66  1  0.836105  0.836716  0.564455  1
  Al  Al67  1  0.752694  0.253311  0.598013  1
  Al  Al68  1  0.252694  0.753311  0.598013  1
  Al  Al69  1  0.169588  0.170192  0.531066  1
  Al  Al70  1  0.669588  0.670192  0.531066  1
  Al  Al71  1  0.586181  0.086792  0.564473  1
  Al  Al72  1  0.086181  0.586792  0.564473  1
  Al  Al73  1  0.294541  0.044746  0.581182  1
  Al  Al74  1  0.794541  0.544746  0.581182  1
  Al  Al75  1  0.877843  0.128502  0.547785  1
  Al  Al76  1  0.377843  0.628502  0.547785  1
  Al  Al77  1  0.044132  0.295156  0.581182  1
  Al  Al78  1  0.544132  0.795156  0.581182  1
  Al  Al79  1  0.627895  0.378450  0.547785  1
  Al  Al80  1  0.127895  0.878450  0.547785  1
  Al  Al81  1  0.169224  0.169856  0.630956  1
  Al  Al82  1  0.669224  0.669856  0.630956  1
  Al  Al83  1  0.585867  0.086505  0.664131  1
  Al  Al84  1  0.085867  0.586505  0.664131  1
  Al  Al85  1  1.002579  1.003197  0.597912  1
  Al  Al86  1  0.502579  0.503197  0.597912  1
  Al  Al87  1  0.418763  0.919384  0.631539  1
  Al  Al88  1  0.918763  0.419384  0.631539  1
  Al  Al89  1  0.126934  0.878376  0.648151  1
  Al  Al90  1  0.626934  0.378376  0.648151  1
  Al  Al91  1  0.710934  0.961454  0.614547  1
  Al  Al92  1  0.210934  0.461454  0.614547  1
  Al  Al93  1  0.877754  0.127563  0.648153  1
  Al  Al94  1  0.377754  0.627563  0.648153  1
  Al  Al95  1  0.460829  0.211556  0.614546  1
  Al  Al96  1  0.960829  0.711556  0.614546  1
  Al  Al97  1  0.007957  0.008569  0.699230  1
  Al  Al98  1  0.507957  0.508569  0.699230  1
  Al  Al99  1  0.417197  0.917979  0.729162  1
  Al  Al100  1  0.917197  0.417979  0.729162  1
  Al  Al101  1  0.837392  0.838037  0.664635  1
  Al  Al102  1  0.337392  0.338037  0.664635  1
  Al  Al103  1  0.251655  0.752283  0.697603  1
  Al  Al104  1  0.751655  0.252283  0.697603  1
  Al  Al105  1  0.960039  0.713240  0.714282  1
  Al  Al106  1  0.460039  0.213240  0.714282  1
  Al  Al107  1  0.547262  0.794057  0.680784  1
  Al  Al108  1  0.047262  0.294057  0.680784  1
  Al  Al109  1  0.712566  0.960731  0.714283  1
  Al  Al110  1  0.212566  0.460731  0.714283  1
  Al  Al111  1  0.293418  0.047903  0.680776  1
  Al  Al112  1  0.793418  0.547903  0.680776  1
