# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56784192
_cell_length_b   11.56476073
_cell_length_c   46.78198758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al162
_cell_volume   5954.83907752
_cell_formula_units_Z   162
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  0.734285  0.104340  0.286276  1
  Al  Al2  1  0.093990  0.796171  0.293557  1
  Al  Al3  1  0.007720  0.045114  0.319262  1
  Al  Al4  1  0.394999  0.093124  0.309330  1
  Al  Al5  1  0.706898  0.757804  0.304277  1
  Al  Al6  1  0.022307  0.398605  0.297068  1
  Al  Al7  1  0.418891  0.454861  0.290188  1
  Al  Al8  1  0.326343  0.691829  0.314373  1
  Al  Al9  1  0.692034  0.389755  0.324036  1
  Al  Al10  1  0.472659  0.842038  0.323214  1
  Al  Al11  1  0.940179  0.650738  0.286542  1
  Al  Al12  1  0.862471  0.895353  0.312252  1
  Al  Al13  1  0.241534  0.947637  0.301771  1
  Al  Al14  1  0.568389  0.602708  0.297986  1
  Al  Al15  1  0.877254  0.249390  0.291238  1
  Al  Al16  1  0.268751  0.307750  0.283771  1
  Al  Al17  1  0.175671  0.543162  0.305978  1
  Al  Al18  1  0.541663  0.243272  0.316895  1
  Al  Al19  1  0.626402  0.992733  0.330607  1
  Al  Al20  1  0.996416  0.691534  0.342103  1
  Al  Al21  1  0.915129  0.938287  0.369863  1
  Al  Al22  1  0.295813  0.993709  0.358326  1
  Al  Al23  1  0.614481  0.644393  0.354238  1
  Al  Al24  1  0.926526  0.291798  0.347189  1
  Al  Al25  1  0.313971  0.345940  0.338662  1
  Al  Al26  1  0.228322  0.588012  0.363869  1
  Al  Al27  1  0.596359  0.288692  0.375133  1
  Al  Al28  1  0.377902  0.738072  0.372356  1
  Al  Al29  1  0.840004  0.543826  0.331318  1
  Al  Al30  1  0.763700  0.792028  0.361403  1
  Al  Al31  1  0.147056  0.842566  0.349817  1
  Al  Al32  1  0.465628  0.495398  0.346332  1
  Al  Al33  1  0.777109  0.141965  0.340878  1
  Al  Al34  1  0.159713  0.195743  0.326668  1
  Al  Al35  1  0.074924  0.439627  0.354386  1
  Al  Al36  1  0.448363  0.138930  0.366878  1
  Al  Al37  1  0.528702  0.886808  0.380622  1
  Al  Al38  1  0.897264  0.585980  0.390423  1
  Al  Al39  1  0.817174  0.833297  0.419393  1
  Al  Al40  1  0.199710  0.886117  0.407892  1
  Al  Al41  1  0.516763  0.537120  0.403690  1
  Al  Al42  1  0.830064  0.184542  0.397737  1
  Al  Al43  1  0.213473  0.238148  0.385578  1
  Al  Al44  1  0.129564  0.481754  0.412925  1
  Al  Al45  1  0.501857  0.182591  0.424966  1
  Al  Al46  1  0.281367  0.630928  0.422033  1
  Al  Al47  1  0.746914  0.436839  0.382377  1
  Al  Al48  1  0.666974  0.685770  0.411603  1
  Al  Al49  1  0.049931  0.735145  0.399840  1
  Al  Al50  1  0.365850  0.387590  0.395731  1
  Al  Al51  1  0.680046  0.034660  0.389024  1
  Al  Al52  1  0.062648  0.089172  0.377170  1
  Al  Al53  1  0.979735  0.333454  0.405021  1
  Al  Al54  1  0.350502  0.035191  0.416391  1
  Al  Al55  1  0.431596  0.780709  0.430321  1
  Al  Al56  1  0.801804  0.480630  0.440720  1
  Al  Al57  1  0.720513  0.727640  0.469256  1
  Al  Al58  1  0.103862  0.778843  0.457773  1
  Al  Al59  1  0.419609  0.429743  0.453219  1
  Al  Al60  1  0.733585  0.077821  0.447050  1
  Al  Al61  1  0.117184  0.131506  0.435447  1
  Al  Al62  1  0.033988  0.375795  0.462998  1
  Al  Al63  1  0.405031  0.077547  0.474511  1
  Al  Al64  1  0.184408  0.524384  0.471288  1
  Al  Al65  1  0.651298  0.332045  0.433002  1
  Al  Al66  1  0.569981  0.579273  0.461186  1
  Al  Al67  1  0.952638  0.629370  0.448974  1
  Al  Al68  1  0.268085  0.280530  0.444041  1
  Al  Al69  1  0.582655  0.929177  0.438705  1
  Al  Al70  1  0.967503  0.981837  0.427625  1
  Al  Al71  1  0.883907  0.226986  0.455163  1
  Al  Al72  1  0.254163  0.928681  0.466004  1
  Al  Al73  1  0.335500  0.673609  0.480081  1
  Al  Al74  1  0.705609  0.374942  0.490716  1
  Al  Al75  1  0.623738  0.621658  0.518847  1
  Al  Al76  1  0.007313  0.672533  0.507205  1
  Al  Al77  1  0.322727  0.323137  0.502318  1
  Al  Al78  1  0.636939  0.972022  0.496778  1
  Al  Al79  1  0.021214  0.024538  0.485367  1
  Al  Al80  1  0.937896  0.269563  0.512768  1
  Al  Al81  1  0.308680  0.971267  0.524132  1
  Al  Al82  1  0.088326  0.418409  0.521019  1
  Al  Al83  1  0.555783  0.225752  0.482894  1
  Al  Al84  1  0.473769  0.472225  0.511037  1
  Al  Al85  1  0.856426  0.523723  0.498832  1
  Al  Al86  1  0.171765  0.174031  0.493620  1
  Al  Al87  1  0.485888  0.823267  0.488321  1
  Al  Al88  1  0.870793  0.875728  0.477252  1
  Al  Al89  1  0.787719  0.120738  0.504990  1
  Al  Al90  1  0.158260  0.821708  0.515760  1
  Al  Al91  1  0.239062  0.566985  0.529531  1
  Al  Al92  1  0.609840  0.268429  0.540747  1
  Al  Al93  1  0.528083  0.514811  0.569094  1
  Al  Al94  1  0.910554  0.566677  0.556847  1
  Al  Al95  1  0.226402  0.216729  0.551780  1
  Al  Al96  1  0.540198  0.866270  0.546326  1
  Al  Al97  1  0.924667  0.918074  0.535038  1
  Al  Al98  1  0.842157  0.163559  0.563009  1
  Al  Al99  1  0.212394  0.864142  0.573742  1
  Al  Al100  1  0.991996  0.312335  0.570372  1
  Al  Al101  1  0.459528  0.120094  0.532632  1
  Al  Al102  1  0.377429  0.365766  0.560636  1
  Al  Al103  1  0.759440  0.417533  0.548296  1
  Al  Al104  1  0.075100  0.067004  0.543043  1
  Al  Al105  1  0.390039  0.716210  0.538155  1
  Al  Al106  1  0.774294  0.769979  0.527035  1
  Al  Al107  1  0.691561  0.015050  0.554948  1
  Al  Al108  1  0.061441  0.715251  0.565312  1
  Al  Al109  1  0.142486  0.461064  0.579094  1
  Al  Al110  1  0.513882  0.162316  0.590756  1
  Al  Al111  1  0.431887  0.408305  0.619149  1
  Al  Al112  1  0.812665  0.459712  0.605543  1
  Al  Al113  1  0.128499  0.109464  0.600471  1
  Al  Al114  1  0.444271  0.758857  0.596256  1
  Al  Al115  1  0.827854  0.812471  0.584927  1
  Al  Al116  1  0.746822  0.058131  0.613472  1
  Al  Al117  1  0.114890  0.757086  0.623441  1
  Al  Al118  1  0.896944  0.206873  0.621180  1
  Al  Al119  1  0.362745  0.013812  0.582267  1
  Al  Al120  1  0.281050  0.259571  0.610096  1
  Al  Al121  1  0.663523  0.310379  0.598517  1
  Al  Al122  1  0.978330  0.959932  0.592740  1
  Al  Al123  1  0.293363  0.609321  0.587670  1
  Al  Al124  1  0.677270  0.664578  0.576577  1
  Al  Al125  1  0.593932  0.909961  0.604319  1
  Al  Al126  1  0.963942  0.609622  0.614954  1
  Al  Al127  1  0.045936  0.355735  0.628017  1
  Al  Al128  1  0.415223  0.056315  0.640570  1
  Al  Al129  1  0.334313  0.302422  0.668949  1
  Al  Al130  1  0.716505  0.350685  0.655992  1
  Al  Al131  1  0.030176  1.001560  0.650197  1
  Al  Al132  1  0.347351  0.651313  0.645548  1
  Al  Al133  1  0.729491  0.708306  0.634388  1
  Al  Al134  1  0.647327  0.953159  0.662121  1
  Al  Al135  1  0.017319  0.650647  0.673532  1
  Al  Al136  1  0.802478  0.101156  0.672685  1
  Al  Al137  1  0.265322  0.906683  0.631695  1
  Al  Al138  1  0.179277  0.152048  0.657547  1
  Al  Al139  1  0.566928  0.203651  0.648826  1
  Al  Al140  1  0.881229  0.853510  0.642981  1
  Al  Al141  1  0.196141  0.503199  0.637303  1
  Al  Al142  1  0.582682  0.557431  0.627335  1
  Al  Al143  1  0.496700  0.801946  0.654364  1
  Al  Al144  1  0.864453  0.501666  0.662184  1
  Al  Al145  1  0.950905  0.254044  0.679584  1
  Al  Al146  1  0.315202  0.952073  0.689597  1
  Al  Al147  1  0.222173  0.189713  0.712647  1
  Al  Al148  1  0.613480  0.243736  0.705514  1
  Al  Al149  1  0.936829  0.888216  0.700006  1
  Al  Al150  1  0.251240  0.547495  0.694000  1
  Al  Al151  1  0.638453  0.600668  0.685521  1
  Al  Al152  1  0.549505  0.847571  0.710596  1
  Al  Al153  1  0.901840  0.535185  0.716950  1
  Al  Al154  1  0.702724  0.994231  0.717583  1
  Al  Al155  1  0.170071  0.800629  0.680901  1
  Al  Al156  1  0.075047  0.042915  0.706390  1
  Al  Al157  1  0.465572  0.097620  0.698334  1
  Al  Al158  1  0.782464  0.750381  0.692107  1
  Al  Al159  1  0.098072  0.401432  0.685993  1
  Al  Al160  1  0.487585  0.452763  0.677252  1
  Al  Al161  1  0.401734  0.696983  0.702026  1
  Al  Al162  1  0.760525  0.388504  0.712151  1
