# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71099935
_cell_length_b   12.71310424
_cell_length_c   47.86313693
_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   7695.73421653
_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  0.147014  0.480812  0.295654  1
  Al  Al2  1  0.483240  0.148781  0.296401  1
  Al  Al3  1  0.453536  0.453719  0.322997  1
  Al  Al4  1  0.815815  0.817156  0.296463  1
  Al  Al5  1  0.785599  0.120092  0.321131  1
  Al  Al6  1  0.756784  0.423593  0.347632  1
  Al  Al7  1  0.119032  0.785598  0.322895  1
  Al  Al8  1  0.178315  0.182895  0.272320  1
  Al  Al9  1  0.511653  0.843190  0.271914  1
  Al  Al10  1  0.923257  0.256659  0.347592  1
  Al  Al11  1  0.343888  0.012671  0.271855  1
  Al  Al12  1  0.314999  0.316682  0.296950  1
  Al  Al13  1  0.681035  0.675679  0.272321  1
  Al  Al14  1  0.651704  0.984957  0.295342  1
  Al  Al15  1  0.621001  0.285457  0.322421  1
  Al  Al16  1  0.980558  0.647456  0.295786  1
  Al  Al17  1  0.952179  0.954628  0.322584  1
  Al  Al18  1  0.285234  0.619018  0.322700  1
  Al  Al19  1  0.117859  0.286718  0.322422  1
  Al  Al20  1  0.454267  0.953267  0.322645  1
  Al  Al21  1  0.513634  0.343420  0.272293  1
  Al  Al22  1  0.787119  0.619929  0.322473  1
  Al  Al23  1  0.756510  0.923501  0.347330  1
  Al  Al24  1  0.817002  0.316983  0.295796  1
  Al  Al25  1  0.180231  0.682719  0.271860  1
  Al  Al26  1  0.149170  0.982683  0.297080  1
  Al  Al27  1  0.481749  0.648646  0.296959  1
  Al  Al28  1  0.951782  0.452233  0.321011  1
  Al  Al29  1  0.287767  0.119937  0.322954  1
  Al  Al30  1  0.347759  0.513020  0.271832  1
  Al  Al31  1  0.619554  0.788010  0.322799  1
  Al  Al32  1  0.589956  0.089952  0.347342  1
  Al  Al33  1  0.650236  0.481780  0.296793  1
  Al  Al34  1  0.011181  0.850695  0.272278  1
  Al  Al35  1  0.981386  0.148267  0.296264  1
  Al  Al36  1  0.315315  0.816013  0.296953  1
  Al  Al37  1  0.058658  0.393757  0.373129  1
  Al  Al38  1  0.393155  0.059888  0.373491  1
  Al  Al39  1  0.362428  0.362619  0.398974  1
  Al  Al40  1  0.726777  0.726138  0.373187  1
  Al  Al41  1  0.695862  0.029461  0.398778  1
  Al  Al42  1  0.665522  0.332093  0.424592  1
  Al  Al43  1  0.028900  0.695949  0.398950  1
  Al  Al44  1  0.090137  0.089907  0.347899  1
  Al  Al45  1  0.422777  0.756520  0.347733  1
  Al  Al46  1  0.831945  0.165643  0.424630  1
  Al  Al47  1  0.256421  0.923144  0.347771  1
  Al  Al48  1  0.225529  0.227116  0.373271  1
  Al  Al49  1  0.589594  0.590271  0.347788  1
  Al  Al50  1  0.559920  0.893337  0.373428  1
  Al  Al51  1  0.529472  0.195938  0.398861  1
  Al  Al52  1  0.893481  0.559072  0.373135  1
  Al  Al53  1  0.862232  0.862881  0.398827  1
  Al  Al54  1  0.195436  0.529240  0.398978  1
  Al  Al55  1  0.028917  0.196241  0.398953  1
  Al  Al56  1  0.362484  0.862676  0.399054  1
  Al  Al57  1  0.422782  0.256956  0.347700  1
  Al  Al58  1  0.695974  0.529294  0.398921  1
  Al  Al59  1  0.665555  0.832248  0.424638  1
  Al  Al60  1  0.727010  0.225953  0.373068  1
  Al  Al61  1  0.089244  0.589451  0.347404  1
  Al  Al62  1  0.058858  0.893511  0.373302  1
  Al  Al63  1  0.392777  0.559702  0.373562  1
  Al  Al64  1  0.862399  0.362666  0.398865  1
  Al  Al65  1  0.195737  0.029434  0.399057  1
  Al  Al66  1  0.255686  0.423608  0.347602  1
  Al  Al67  1  0.529281  0.696075  0.399032  1
  Al  Al68  1  0.498856  0.999018  0.424717  1
  Al  Al69  1  0.560277  0.392460  0.373234  1
  Al  Al70  1  0.923413  0.756193  0.347613  1
  Al  Al71  1  0.892118  0.060560  0.373133  1
  Al  Al72  1  0.225947  0.726352  0.373529  1
  Al  Al73  1  0.968159  0.301893  0.450359  1
  Al  Al74  1  0.301589  0.968602  0.450410  1
  Al  Al75  1  0.271145  0.271477  0.476073  1
  Al  Al76  1  0.635048  0.635132  0.450372  1
  Al  Al77  1  0.604609  0.938142  0.476084  1
  Al  Al78  1  0.574194  0.241010  0.501784  1
  Al  Al79  1  0.937781  0.604793  0.476069  1
  Al  Al80  1  0.998401  0.999098  0.424618  1
  Al  Al81  1  0.331998  0.665578  0.424774  1
  Al  Al82  1  0.740797  0.074422  0.501791  1
  Al  Al83  1  0.165110  0.832396  0.424706  1
  Al  Al84  1  0.134810  0.135289  0.450381  1
  Al  Al85  1  0.498906  0.498730  0.424678  1
  Al  Al86  1  0.468366  0.801879  0.450411  1
  Al  Al87  1  0.437893  0.104835  0.476087  1
  Al  Al88  1  0.801596  0.468465  0.450345  1
  Al  Al89  1  0.771205  0.771451  0.476062  1
  Al  Al90  1  0.104455  0.438111  0.476079  1
  Al  Al91  1  0.937763  0.104843  0.476076  1
  Al  Al92  1  0.271138  0.771508  0.476093  1
  Al  Al93  1  0.331970  0.165765  0.424673  1
  Al  Al94  1  0.604623  0.438013  0.476068  1
  Al  Al95  1  0.574207  0.741024  0.501784  1
  Al  Al96  1  0.635011  0.135169  0.450332  1
  Al  Al97  1  0.998541  0.498906  0.424668  1
  Al  Al98  1  0.968089  0.801933  0.450336  1
  Al  Al99  1  0.301584  0.468457  0.450375  1
  Al  Al100  1  0.771193  0.271441  0.476075  1
  Al  Al101  1  0.104379  0.938217  0.476073  1
  Al  Al102  1  0.165121  0.332367  0.424633  1
  Al  Al103  1  0.437937  0.604717  0.476086  1
  Al  Al104  1  0.407474  0.907776  0.501788  1
  Al  Al105  1  0.468374  0.301765  0.450349  1
  Al  Al106  1  0.832055  0.665528  0.424592  1
  Al  Al107  1  0.801527  0.968578  0.450318  1
  Al  Al108  1  0.134811  0.635208  0.450382  1
  Al  Al109  1  0.877001  0.210724  0.527545  1
  Al  Al110  1  0.210271  0.877405  0.527469  1
  Al  Al111  1  0.179793  0.180373  0.553215  1
  Al  Al112  1  0.543840  0.543867  0.527478  1
  Al  Al113  1  0.513427  0.846961  0.553158  1
  Al  Al114  1  0.483121  0.149849  0.578942  1
  Al  Al115  1  0.846694  0.513432  0.553244  1
  Al  Al116  1  0.907355  0.907781  0.501772  1
  Al  Al117  1  0.240736  0.574352  0.501763  1
  Al  Al118  1  0.649769  0.983334  0.579040  1
  Al  Al119  1  0.073994  0.741090  0.501762  1
  Al  Al120  1  0.043565  0.044113  0.527505  1
  Al  Al121  1  0.407491  0.407636  0.501764  1
  Al  Al122  1  0.377061  0.710642  0.527460  1
  Al  Al123  1  0.346568  0.013730  0.553161  1
  Al  Al124  1  0.710499  0.377231  0.527528  1
  Al  Al125  1  0.680130  0.680144  0.553190  1
  Al  Al126  1  0.013192  0.346898  0.553263  1
  Al  Al127  1  0.846584  0.013674  0.553229  1
  Al  Al128  1  0.179807  0.680211  0.553117  1
  Al  Al129  1  0.240700  0.074475  0.501787  1
  Al  Al130  1  0.513416  0.346808  0.553181  1
  Al  Al131  1  0.483133  0.649686  0.578809  1
  Al  Al132  1  0.543815  0.044025  0.527516  1
  Al  Al133  1  0.907425  0.407698  0.501799  1
  Al  Al134  1  0.876995  0.710644  0.527495  1
  Al  Al135  1  0.210299  0.377286  0.527493  1
  Al  Al136  1  0.680086  0.180274  0.553250  1
  Al  Al137  1  0.013128  0.846972  0.553164  1
  Al  Al138  1  0.074018  0.241105  0.501797  1
  Al  Al139  1  0.346614  0.513443  0.553117  1
  Al  Al140  1  0.316163  0.816618  0.578817  1
  Al  Al141  1  0.377055  0.210656  0.527494  1
  Al  Al142  1  0.740844  0.574312  0.501786  1
  Al  Al143  1  0.710412  0.877377  0.527511  1
  Al  Al144  1  0.043625  0.543934  0.527496  1
  Al  Al145  1  0.785779  0.119394  0.604699  1
  Al  Al146  1  0.118789  0.786073  0.604444  1
  Al  Al147  1  0.087907  0.089671  0.630331  1
  Al  Al148  1  0.452538  0.452524  0.604460  1
  Al  Al149  1  0.422808  0.755488  0.629971  1
  Al  Al150  1  0.392645  0.059115  0.655634  1
  Al  Al151  1  0.755478  0.422246  0.630750  1
  Al  Al152  1  0.816129  0.816632  0.578950  1
  Al  Al153  1  0.149348  0.482976  0.578927  1
  Al  Al154  1  0.558627  0.892996  0.655532  1
  Al  Al155  1  0.982648  0.649753  0.578912  1
  Al  Al156  1  0.952225  0.952721  0.604594  1
  Al  Al157  1  0.316212  0.316376  0.578899  1
  Al  Al158  1  0.285598  0.619209  0.604339  1
  Al  Al159  1  0.254819  0.923195  0.630083  1
  Al  Al160  1  0.619247  0.286098  0.604650  1
  Al  Al161  1  0.589669  0.588330  0.630183  1
  Al  Al162  1  0.921955  0.255708  0.630815  1
  Al  Al163  1  0.755637  0.922531  0.630680  1
  Al  Al164  1  0.087924  0.589096  0.630200  1
  Al  Al165  1  0.149280  0.983430  0.578872  1
  Al  Al166  1  0.422709  0.255175  0.630315  1
  Al  Al167  1  0.391795  0.559135  0.655338  1
  Al  Al168  1  0.452582  0.953055  0.604437  1
  Al  Al169  1  0.816303  0.316488  0.579125  1
  Al  Al170  1  0.785918  0.619092  0.604648  1
  Al  Al171  1  0.118808  0.286034  0.604735  1
  Al  Al172  1  0.589148  0.089419  0.630633  1
  Al  Al173  1  0.921182  0.756083  0.630312  1
  Al  Al174  1  0.982621  0.150085  0.579018  1
  Al  Al175  1  0.255670  0.421512  0.630226  1
  Al  Al176  1  0.225327  0.725359  0.655325  1
  Al  Al177  1  0.285596  0.119704  0.604571  1
  Al  Al178  1  0.649899  0.482902  0.578943  1
  Al  Al179  1  0.619499  0.786131  0.604518  1
  Al  Al180  1  0.952247  0.452325  0.604760  1
  Al  Al181  1  0.696535  0.029442  0.681892  1
  Al  Al182  1  0.027372  0.695297  0.680973  1
  Al  Al183  1  0.999726  0.998066  0.707239  1
  Al  Al184  1  0.363077  0.362908  0.681084  1
  Al  Al185  1  0.332918  0.667118  0.705644  1
  Al  Al186  1  0.301011  0.968423  0.730728  1
  Al  Al187  1  0.664075  0.333163  0.707048  1
  Al  Al188  1  0.725192  0.725988  0.655698  1
  Al  Al189  1  0.058413  0.391494  0.656021  1
  Al  Al190  1  0.468192  0.799251  0.730743  1
  Al  Al191  1  0.891657  0.558433  0.655833  1
  Al  Al192  1  0.864078  0.862365  0.682134  1
  Al  Al193  1  0.225575  0.225365  0.655903  1
  Al  Al194  1  0.194083  0.527627  0.680289  1
  Al  Al195  1  0.164852  0.832953  0.706121  1
  Al  Al196  1  0.528794  0.197487  0.682120  1
  Al  Al197  1  0.500910  0.502002  0.706881  1
  Al  Al198  1  0.831788  0.165492  0.706894  1
  Al  Al199  1  0.666569  0.833501  0.706864  1
  Al  Al200  1  0.997832  0.497707  0.707257  1
  Al  Al201  1  0.058628  0.891820  0.655571  1
  Al  Al202  1  0.333707  0.167429  0.707167  1
  Al  Al203  1  0.303942  0.470237  0.730712  1
  Al  Al204  1  0.362160  0.863201  0.680070  1
  Al  Al205  1  0.724693  0.225504  0.655679  1
  Al  Al206  1  0.696441  0.530382  0.682028  1
  Al  Al207  1  0.029149  0.194840  0.682134  1
  Al  Al208  1  0.501441  1.001265  0.706951  1
  Al  Al209  1  0.831415  0.666207  0.707320  1
  Al  Al210  1  0.891898  0.058393  0.655677  1
  Al  Al211  1  0.164693  0.329830  0.707371  1
  Al  Al212  1  0.136808  0.639014  0.730795  1
  Al  Al213  1  0.195203  0.030895  0.680956  1
  Al  Al214  1  0.558202  0.392747  0.655687  1
  Al  Al215  1  0.530503  0.695644  0.680716  1
  Al  Al216  1  0.861793  0.362184  0.681990  1
