# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65368983
_cell_length_b   12.65445252
_cell_length_c   47.62703636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7588.07650063
_cell_formula_units_Z   216
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  0.150266  0.487011  0.297682  1
  Al  Al2  1  0.486440  0.150833  0.297682  1
  Al  Al3  1  0.456937  0.457509  0.320962  1
  Al  Al4  1  0.817835  0.818408  0.297595  1
  Al  Al5  1  0.792398  0.124921  0.323728  1
  Al  Al6  1  0.854747  0.518131  0.275847  1
  Al  Al7  1  0.124354  0.792966  0.323728  1
  Al  Al8  1  0.094257  0.094828  0.346700  1
  Al  Al9  1  0.517567  0.855306  0.275847  1
  Al  Al10  1  0.927804  0.261710  0.346999  1
  Al  Al11  1  0.261140  0.928373  0.346999  1
  Al  Al12  1  0.323447  0.324013  0.298371  1
  Al  Al13  1  0.686009  0.686571  0.275254  1
  Al  Al14  1  0.653622  0.984914  0.298223  1
  Al  Al15  1  0.622503  0.292832  0.322484  1
  Al  Al16  1  0.984344  0.654193  0.298223  1
  Al  Al17  1  0.958641  0.959208  0.323163  1
  Al  Al18  1  0.292262  0.623073  0.322485  1
  Al  Al19  1  0.122912  0.290141  0.320780  1
  Al  Al20  1  0.456222  0.960054  0.323052  1
  Al  Al21  1  0.428615  0.261467  0.347293  1
  Al  Al22  1  0.789639  0.624312  0.323616  1
  Al  Al23  1  0.845290  0.013618  0.275560  1
  Al  Al24  1  0.822181  0.320531  0.297661  1
  Al  Al25  1  0.183765  0.683620  0.276291  1
  Al  Al26  1  0.153388  0.985368  0.296774  1
  Al  Al27  1  0.484558  0.652999  0.296628  1
  Al  Al28  1  0.959486  0.456793  0.323053  1
  Al  Al29  1  0.289569  0.123483  0.320781  1
  Al  Al30  1  0.260897  0.429184  0.347293  1
  Al  Al31  1  0.623743  0.790207  0.323616  1
  Al  Al32  1  0.683056  0.184329  0.276291  1
  Al  Al33  1  0.652431  0.485129  0.296628  1
  Al  Al34  1  0.013053  0.845855  0.275560  1
  Al  Al35  1  0.984801  0.153953  0.296774  1
  Al  Al36  1  0.319961  0.822746  0.297661  1
  Al  Al37  1  0.066288  0.397254  0.372136  1
  Al  Al38  1  0.396684  0.066858  0.372135  1
  Al  Al39  1  0.367004  0.367574  0.398045  1
  Al  Al40  1  0.731317  0.731886  0.373037  1
  Al  Al41  1  0.700540  0.034686  0.398244  1
  Al  Al42  1  0.760860  0.428914  0.346524  1
  Al  Al43  1  0.034115  0.701110  0.398244  1
  Al  Al44  1  1.003725  1.004297  0.424454  1
  Al  Al45  1  0.428345  0.761430  0.346524  1
  Al  Al46  1  0.836704  0.170948  0.424249  1
  Al  Al47  1  0.170376  0.837276  0.424249  1
  Al  Al48  1  0.231196  0.231767  0.371127  1
  Al  Al49  1  0.594331  0.594901  0.346333  1
  Al  Al50  1  0.563675  0.899624  0.372462  1
  Al  Al51  1  0.533934  0.201333  0.398235  1
  Al  Al52  1  0.899054  0.564245  0.372463  1
  Al  Al53  1  0.867298  0.867869  0.398390  1
  Al  Al54  1  0.200762  0.534505  0.398235  1
  Al  Al55  1  0.034759  0.201336  0.397991  1
  Al  Al56  1  0.367173  0.868120  0.398067  1
  Al  Al57  1  0.336157  0.171061  0.423962  1
  Al  Al58  1  0.700417  0.534149  0.398119  1
  Al  Al59  1  0.761912  0.928481  0.346571  1
  Al  Al60  1  0.730258  0.233282  0.372332  1
  Al  Al61  1  0.095242  0.596297  0.346825  1
  Al  Al62  1  0.064973  0.898881  0.372869  1
  Al  Al63  1  0.398798  0.563908  0.372164  1
  Al  Al64  1  0.867549  0.367744  0.398066  1
  Al  Al65  1  0.200766  0.035329  0.397991  1
  Al  Al66  1  0.170489  0.336729  0.423962  1
  Al  Al67  1  0.533579  0.700988  0.398119  1
  Al  Al68  1  0.595727  0.095812  0.346825  1
  Al  Al69  1  0.563338  0.399368  0.372163  1
  Al  Al70  1  0.927910  0.762482  0.346571  1
  Al  Al71  1  0.898311  0.065542  0.372869  1
  Al  Al72  1  0.232712  0.730829  0.372333  1
  Al  Al73  1  0.973052  0.306584  0.450109  1
  Al  Al74  1  0.306012  0.973625  0.450109  1
  Al  Al75  1  0.275780  0.276352  0.476168  1
  Al  Al76  1  0.639363  0.639935  0.450200  1
  Al  Al77  1  0.608807  0.943280  0.476218  1
  Al  Al78  1  0.669743  0.337400  0.424180  1
  Al  Al79  1  0.942707  0.609380  0.476218  1
  Al  Al80  1  0.912091  0.912664  0.502131  1
  Al  Al81  1  0.336829  0.670315  0.424180  1
  Al  Al82  1  0.745284  0.079445  0.502154  1
  Al  Al83  1  0.078871  0.745857  0.502154  1
  Al  Al84  1  0.139644  0.140216  0.450138  1
  Al  Al85  1  0.503124  0.503695  0.424233  1
  Al  Al86  1  0.472601  0.806797  0.450181  1
  Al  Al87  1  0.442090  0.109936  0.476125  1
  Al  Al88  1  0.806225  0.473173  0.450181  1
  Al  Al89  1  0.775748  0.776321  0.476221  1
  Al  Al90  1  0.109363  0.442663  0.476126  1
  Al  Al91  1  0.942465  0.109835  0.476229  1
  Al  Al92  1  0.275778  0.776313  0.476179  1
  Al  Al93  1  0.245346  0.079377  0.502116  1
  Al  Al94  1  0.609013  0.442921  0.476187  1
  Al  Al95  1  0.669577  0.837558  0.424444  1
  Al  Al96  1  0.639469  0.140143  0.450236  1
  Al  Al97  1  1.003871  0.503295  0.424191  1
  Al  Al98  1  0.972970  0.806751  0.450299  1
  Al  Al99  1  0.306167  0.473271  0.450159  1
  Al  Al100  1  0.775740  0.276351  0.476179  1
  Al  Al101  1  0.109262  0.943038  0.476229  1
  Al  Al102  1  0.078803  0.245919  0.502116  1
  Al  Al103  1  0.442348  0.609586  0.476187  1
  Al  Al104  1  0.502724  1.004443  0.424191  1
  Al  Al105  1  0.472699  0.306739  0.450158  1
  Al  Al106  1  0.836987  0.670149  0.424444  1
  Al  Al107  1  0.806179  0.973543  0.450299  1
  Al  Al108  1  0.139571  0.640041  0.450236  1
  Al  Al109  1  0.881778  0.215579  0.528142  1
  Al  Al110  1  0.215005  0.882351  0.528142  1
  Al  Al111  1  0.184633  0.185208  0.554140  1
  Al  Al112  1  0.548202  0.548776  0.528085  1
  Al  Al113  1  0.517665  0.851801  0.553883  1
  Al  Al114  1  0.578509  0.246011  0.502129  1
  Al  Al115  1  0.851226  0.518239  0.553883  1
  Al  Al116  1  0.820868  0.821442  0.579849  1
  Al  Al117  1  0.245438  0.579082  0.502129  1
  Al  Al118  1  0.653479  0.988651  0.579897  1
  Al  Al119  1  0.988076  0.654054  0.579897  1
  Al  Al120  1  0.048442  0.049016  0.528114  1
  Al  Al121  1  0.411991  0.412564  0.502156  1
  Al  Al122  1  0.381481  0.715532  0.528055  1
  Al  Al123  1  0.351109  0.018576  0.554060  1
  Al  Al124  1  0.714958  0.382055  0.528056  1
  Al  Al125  1  0.684449  0.685024  0.553879  1
  Al  Al126  1  0.018001  0.351684  0.554061  1
  Al  Al127  1  0.851280  0.018705  0.553990  1
  Al  Al128  1  0.184835  0.684850  0.554064  1
  Al  Al129  1  0.154020  0.988513  0.580240  1
  Al  Al130  1  0.517573  0.351734  0.554129  1
  Al  Al131  1  0.578577  0.745926  0.502061  1
  Al  Al132  1  0.547930  0.049280  0.528097  1
  Al  Al133  1  0.912168  0.412416  0.502073  1
  Al  Al134  1  0.881817  0.715435  0.528033  1
  Al  Al135  1  0.215184  0.382019  0.528202  1
  Al  Al136  1  0.684276  0.185410  0.554064  1
  Al  Al137  1  0.018130  0.851854  0.553989  1
  Al  Al138  1  0.987938  0.154595  0.580241  1
  Al  Al139  1  0.351160  0.518148  0.554129  1
  Al  Al140  1  0.411843  0.912741  0.502073  1
  Al  Al141  1  0.381445  0.215758  0.528202  1
  Al  Al142  1  0.745353  0.579150  0.502061  1
  Al  Al143  1  0.714861  0.882391  0.528033  1
  Al  Al144  1  0.048706  0.548503  0.528097  1
  Al  Al145  1  0.789920  0.124351  0.605961  1
  Al  Al146  1  0.123775  0.790496  0.605961  1
  Al  Al147  1  0.093257  0.093833  0.632851  1
  Al  Al148  1  0.455869  0.456445  0.606217  1
  Al  Al149  1  0.424733  0.761030  0.631887  1
  Al  Al150  1  0.486688  0.155320  0.580299  1
  Al  Al151  1  0.760454  0.425309  0.631888  1
  Al  Al152  1  0.728886  0.729463  0.656924  1
  Al  Al153  1  0.154745  0.487263  0.580299  1
  Al  Al154  1  0.562457  0.895877  0.657198  1
  Al  Al155  1  0.895300  0.563033  0.657198  1
  Al  Al156  1  0.957096  0.957672  0.606005  1
  Al  Al157  1  0.320676  0.321251  0.580595  1
  Al  Al158  1  0.290138  0.623227  0.606195  1
  Al  Al159  1  0.258214  0.928262  0.632061  1
  Al  Al160  1  0.622651  0.290714  0.606195  1
  Al  Al161  1  0.592183  0.592760  0.631125  1
  Al  Al162  1  0.927685  0.258791  0.632062  1
  Al  Al163  1  0.758327  0.927760  0.631461  1
  Al  Al164  1  0.094207  0.591971  0.631967  1
  Al  Al165  1  0.062696  0.896784  0.657168  1
  Al  Al166  1  0.425492  0.260343  0.633098  1
  Al  Al167  1  0.486727  0.654488  0.579943  1
  Al  Al168  1  0.456518  0.957315  0.605887  1
  Al  Al169  1  0.820858  0.320998  0.580101  1
  Al  Al170  1  0.790220  0.623594  0.605717  1
  Al  Al171  1  0.123545  0.290559  0.606148  1
  Al  Al172  1  0.591395  0.094784  0.631967  1
  Al  Al173  1  0.927184  0.758903  0.631462  1
  Al  Al174  1  0.896207  0.063272  0.657168  1
  Al  Al175  1  0.259768  0.426067  0.633098  1
  Al  Al176  1  0.320424  0.821433  0.580100  1
  Al  Al177  1  0.289983  0.124122  0.606148  1
  Al  Al178  1  0.653913  0.487302  0.579943  1
  Al  Al179  1  0.623018  0.790796  0.605716  1
  Al  Al180  1  0.956739  0.457094  0.605887  1
  Al  Al181  1  0.699552  0.036040  0.681011  1
  Al  Al182  1  0.035466  0.700131  0.681012  1
  Al  Al183  1  1.003202  1.003781  0.706306  1
  Al  Al184  1  0.367279  0.367853  0.683511  1
  Al  Al185  1  0.337312  0.671084  0.706290  1
  Al  Al186  1  0.396704  0.062539  0.656644  1
  Al  Al187  1  0.670503  0.337894  0.706290  1
  Al  Al188  1  0.645452  0.646033  0.728329  1
  Al  Al189  1  0.061961  0.397282  0.656644  1
  Al  Al190  1  0.477252  0.810281  0.727445  1
  Al  Al191  1  0.809700  0.477835  0.727445  1
  Al  Al192  1  0.867185  0.867763  0.679760  1
  Al  Al193  1  0.228661  0.229239  0.656637  1
  Al  Al194  1  0.201231  0.535737  0.682899  1
  Al  Al195  1  0.171091  0.836228  0.706634  1
  Al  Al196  1  0.535163  0.201805  0.682900  1
  Al  Al197  1  0.506140  0.506721  0.706902  1
  Al  Al198  1  0.835644  0.171666  0.706633  1
  Al  Al199  1  0.673736  0.837341  0.705227  1
  Al  Al200  1  0.005502  0.510198  0.706226  1
  Al  Al201  1  0.969278  0.802834  0.728034  1
  Al  Al202  1  0.336621  0.167131  0.705221  1
  Al  Al203  1  0.396447  0.563150  0.657092  1
  Al  Al204  1  0.365946  0.870091  0.681558  1
  Al  Al205  1  0.730391  0.230459  0.656898  1
  Al  Al206  1  0.698298  0.533254  0.680287  1
  Al  Al207  1  0.032481  0.201139  0.683292  1
  Al  Al208  1  0.509618  0.006077  0.706226  1
  Al  Al209  1  0.836766  0.674311  0.705227  1
  Al  Al210  1  0.802247  0.969862  0.728034  1
  Al  Al211  1  0.166549  0.337202  0.705221  1
  Al  Al212  1  0.229882  0.730969  0.656898  1
  Al  Al213  1  0.200565  0.033057  0.683292  1
  Al  Al214  1  0.562573  0.397023  0.657092  1
  Al  Al215  1  0.532675  0.698877  0.680287  1
  Al  Al216  1  0.869516  0.366522  0.681559  1
