# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.41429480
_cell_length_b   14.42016775
_cell_length_c   47.16804667
_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   Al252
_cell_volume   9328.54620869
_cell_formula_units_Z   252
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  0.696269  0.032237  0.340718  1
  Al  Al2  1  0.030537  0.697968  0.340718  1
  Al  Al3  1  0.068892  0.070611  0.319053  1
  Al  Al4  1  0.442971  0.110792  0.299701  1
  Al  Al5  1  0.775746  0.777445  0.299652  1
  Al  Al6  1  0.109086  0.444666  0.299701  1
  Al  Al7  1  0.481838  0.483397  0.283893  1
  Al  Al8  1  0.402413  0.733691  0.317866  1
  Al  Al9  1  0.731941  0.404139  0.317858  1
  Al  Al10  1  0.902010  0.237501  0.319007  1
  Al  Al11  1  0.235780  0.903728  0.319007  1
  Al  Al12  1  0.277719  0.279412  0.299483  1
  Al  Al13  1  0.529573  0.198669  0.340720  1
  Al  Al14  1  0.863248  0.864947  0.340799  1
  Al  Al15  1  0.196971  0.531271  0.340719  1
  Al  Al16  1  0.570328  0.572058  0.320561  1
  Al  Al17  1  0.609260  0.944757  0.299622  1
  Al  Al18  1  0.943058  0.610956  0.299622  1
  Al  Al19  1  0.715779  0.218921  0.328921  1
  Al  Al20  1  0.049810  0.884671  0.328955  1
  Al  Al21  1  0.090336  0.258236  0.309399  1
  Al  Al22  1  0.463380  0.297091  0.291197  1
  Al  Al23  1  0.794645  0.963414  0.291679  1
  Al  Al24  1  0.130598  0.629811  0.291400  1
  Al  Al25  1  0.380799  0.552397  0.331045  1
  Al  Al26  1  0.422878  0.924154  0.309423  1
  Al  Al27  1  0.755304  0.590812  0.309064  1
  Al  Al28  1  0.882934  0.051549  0.328955  1
  Al  Al29  1  0.217182  0.717516  0.328922  1
  Al  Al30  1  0.256520  0.092050  0.309399  1
  Al  Al31  1  0.628179  0.132231  0.291400  1
  Al  Al32  1  0.961781  0.796276  0.291679  1
  Al  Al33  1  0.295435  0.465005  0.291192  1
  Al  Al34  1  0.550672  0.382514  0.331061  1
  Al  Al35  1  0.589097  0.757026  0.309066  1
  Al  Al36  1  0.922431  0.424592  0.309424  1
  Al  Al37  1  0.580050  0.914910  0.401213  1
  Al  Al38  1  0.913182  0.581776  0.401212  1
  Al  Al39  1  0.953775  0.955505  0.379941  1
  Al  Al40  1  0.325232  0.993916  0.359587  1
  Al  Al41  1  0.659762  0.661487  0.359971  1
  Al  Al42  1  0.992193  0.326957  0.359588  1
  Al  Al43  1  0.363951  0.365658  0.340422  1
  Al  Al44  1  0.285460  0.623159  0.380885  1
  Al  Al45  1  0.621436  0.287181  0.380890  1
  Al  Al46  1  0.787352  0.121953  0.379960  1
  Al  Al47  1  0.120224  0.789081  0.379960  1
  Al  Al48  1  0.158566  0.160291  0.359620  1
  Al  Al49  1  0.413397  0.081686  0.401328  1
  Al  Al50  1  0.747168  0.748894  0.401377  1
  Al  Al51  1  0.079959  0.415123  0.401328  1
  Al  Al52  1  0.453620  0.455357  0.380643  1
  Al  Al53  1  0.491683  0.826648  0.359325  1
  Al  Al54  1  0.824919  0.493407  0.359323  1
  Al  Al55  1  0.600181  0.101578  0.391379  1
  Al  Al56  1  0.933617  0.768568  0.391252  1
  Al  Al57  1  0.973304  0.141628  0.369935  1
  Al  Al58  1  0.344567  0.180003  0.349597  1
  Al  Al59  1  0.678004  0.846780  0.349382  1
  Al  Al60  1  0.011449  0.513081  0.349575  1
  Al  Al61  1  0.266715  0.435069  0.391442  1
  Al  Al62  1  0.306874  0.808195  0.369705  1
  Al  Al63  1  0.640358  0.474607  0.370128  1
  Al  Al64  1  0.766851  0.935334  0.391252  1
  Al  Al65  1  0.099861  0.601898  0.391379  1
  Al  Al66  1  0.139902  0.975029  0.369934  1
  Al  Al67  1  0.511361  0.013169  0.349575  1
  Al  Al68  1  0.845059  0.679724  0.349382  1
  Al  Al69  1  0.178282  0.346288  0.349597  1
  Al  Al70  1  0.433350  0.268437  0.391441  1
  Al  Al71  1  0.472878  0.642085  0.370128  1
  Al  Al72  1  0.806465  0.308605  0.369703  1
  Al  Al73  1  0.462169  0.797306  0.464639  1
  Al  Al74  1  0.795571  0.463905  0.464640  1
  Al  Al75  1  0.834954  0.836683  0.443690  1
  Al  Al76  1  0.207653  0.875923  0.422195  1
  Al  Al77  1  0.541017  0.542749  0.422411  1
  Al  Al78  1  0.874189  0.209386  0.422195  1
  Al  Al79  1  0.246600  0.248327  0.401386  1
  Al  Al80  1  0.168023  0.503230  0.443772  1
  Al  Al81  1  0.501500  0.169752  0.443772  1
  Al  Al82  1  0.668182  1.003057  0.443676  1
  Al  Al83  1  1.001329  0.669910  0.443676  1
  Al  Al84  1  0.040914  0.042645  0.422230  1
  Al  Al85  1  0.295472  0.963822  0.464555  1
  Al  Al86  1  0.628862  0.630598  0.464628  1
  Al  Al87  1  0.962086  0.297207  0.464555  1
  Al  Al88  1  0.334722  0.336452  0.443832  1
  Al  Al89  1  0.374205  0.709591  0.422475  1
  Al  Al90  1  0.707859  0.375937  0.422475  1
  Al  Al91  1  0.481808  0.983434  0.454025  1
  Al  Al92  1  0.815148  0.650265  0.454055  1
  Al  Al93  1  0.854775  0.023060  0.432754  1
  Al  Al94  1  0.227087  0.062127  0.411755  1
  Al  Al95  1  0.560526  0.729034  0.411880  1
  Al  Al96  1  0.893784  0.395509  0.411733  1
  Al  Al97  1  0.148338  0.316845  0.454065  1
  Al  Al98  1  0.187516  0.690149  0.433089  1
  Al  Al99  1  0.521428  0.356260  0.433139  1
  Al  Al100  1  0.648531  0.816881  0.454055  1
  Al  Al101  1  0.981700  0.483542  0.454025  1
  Al  Al102  1  0.021327  0.856508  0.432753  1
  Al  Al103  1  0.393778  0.895516  0.411733  1
  Al  Al104  1  0.727304  0.562256  0.411880  1
  Al  Al105  1  0.060397  0.228817  0.411756  1
  Al  Al106  1  0.315111  0.150071  0.454065  1
  Al  Al107  1  0.354526  0.523162  0.433139  1
  Al  Al108  1  0.688418  0.189245  0.433091  1
  Al  Al109  1  0.344400  0.679436  0.528014  1
  Al  Al110  1  0.677692  0.346143  0.528013  1
  Al  Al111  1  0.716972  0.718714  0.506734  1
  Al  Al112  1  0.089454  0.758169  0.485734  1
  Al  Al113  1  0.422947  0.424685  0.485830  1
  Al  Al114  1  0.756432  0.091190  0.485735  1
  Al  Al115  1  0.128786  0.130521  0.464535  1
  Al  Al116  1  0.050177  0.385410  0.506737  1
  Al  Al117  1  0.383668  0.051918  0.506738  1
  Al  Al118  1  0.550312  0.885392  0.506724  1
  Al  Al119  1  0.883650  0.552054  0.506724  1
  Al  Al120  1  0.923016  0.924754  0.485648  1
  Al  Al121  1  0.177637  0.846106  0.527937  1
  Al  Al122  1  0.510997  0.512741  0.527983  1
  Al  Al123  1  0.844364  0.179379  0.527937  1
  Al  Al124  1  0.216982  0.218723  0.506712  1
  Al  Al125  1  0.256228  0.591458  0.485801  1
  Al  Al126  1  0.589719  0.257966  0.485801  1
  Al  Al127  1  0.363985  0.865666  0.517439  1
  Al  Al128  1  0.697299  0.532350  0.517411  1
  Al  Al129  1  0.736680  0.905018  0.496315  1
  Al  Al130  1  0.109249  0.944290  0.475069  1
  Al  Al131  1  0.442594  0.611027  0.475213  1
  Al  Al132  1  0.775998  0.277612  0.475202  1
  Al  Al133  1  0.030611  0.198984  0.517340  1
  Al  Al134  1  0.069910  0.571729  0.496329  1
  Al  Al135  1  0.403307  0.238320  0.496385  1
  Al  Al136  1  0.530608  0.699041  0.517411  1
  Al  Al137  1  0.863925  0.365726  0.517438  1
  Al  Al138  1  0.903280  0.738418  0.496315  1
  Al  Al139  1  0.275876  0.777735  0.475202  1
  Al  Al140  1  0.609290  0.444331  0.475213  1
  Al  Al141  1  0.942553  0.110986  0.475069  1
  Al  Al142  1  0.197243  0.032352  0.517340  1
  Al  Al143  1  0.236582  0.405046  0.496385  1
  Al  Al144  1  0.569991  0.071649  0.496328  1
  Al  Al145  1  0.226388  0.561536  0.591268  1
  Al  Al146  1  0.559785  0.228138  0.591268  1
  Al  Al147  1  0.598814  0.600560  0.570186  1
  Al  Al148  1  0.971843  0.640214  0.548961  1
  Al  Al149  1  0.305284  0.307031  0.549068  1
  Al  Al150  1  0.638466  0.973590  0.548961  1
  Al  Al151  1  0.011016  0.012758  0.527902  1
  Al  Al152  1  0.932221  0.267212  0.570168  1
  Al  Al153  1  0.265467  0.933966  0.570168  1
  Al  Al154  1  0.432390  0.767141  0.570347  1
  Al  Al155  1  0.765395  0.434135  0.570346  1
  Al  Al156  1  0.805122  0.806869  0.548976  1
  Al  Al157  1  0.059817  0.728190  0.591262  1
  Al  Al158  1  0.393605  0.395355  0.591496  1
  Al  Al159  1  0.726440  0.061566  0.591261  1
  Al  Al160  1  0.098844  0.100589  0.570205  1
  Al  Al161  1  0.138437  0.473537  0.548987  1
  Al  Al162  1  0.471789  0.140183  0.548987  1
  Al  Al163  1  0.246029  0.747721  0.580760  1
  Al  Al164  1  0.579323  0.414530  0.580874  1
  Al  Al165  1  0.618671  0.787223  0.559312  1
  Al  Al166  1  0.991409  0.826578  0.538492  1
  Al  Al167  1  0.324804  0.493229  0.538583  1
  Al  Al168  1  0.658147  0.159836  0.538511  1
  Al  Al169  1  0.912647  0.081058  0.580759  1
  Al  Al170  1  0.951852  0.453996  0.559423  1
  Al  Al171  1  0.285404  0.120533  0.559280  1
  Al  Al172  1  0.412782  0.581072  0.580874  1
  Al  Al173  1  0.745972  0.247777  0.580759  1
  Al  Al174  1  0.785471  0.620423  0.559312  1
  Al  Al175  1  0.158092  0.659892  0.538511  1
  Al  Al176  1  0.491484  0.326548  0.538583  1
  Al  Al177  1  0.824834  0.993153  0.538493  1
  Al  Al178  1  0.079311  0.914394  0.580760  1
  Al  Al179  1  0.118783  0.287155  0.559280  1
  Al  Al180  1  0.452247  0.953601  0.559425  1
  Al  Al181  1  0.109181  0.443731  0.653316  1
  Al  Al182  1  0.441968  0.110945  0.653316  1
  Al  Al183  1  0.481697  0.483451  0.633610  1
  Al  Al184  1  0.852438  0.522312  0.611964  1
  Al  Al185  1  0.186666  0.188428  0.611635  1
  Al  Al186  1  0.520554  0.854194  0.611969  1
  Al  Al187  1  0.893053  0.894802  0.591270  1
  Al  Al188  1  0.813597  0.149025  0.633049  1
  Al  Al189  1  0.147273  0.815351  0.633050  1
  Al  Al190  1  0.313633  0.648644  0.632929  1
  Al  Al191  1  0.646888  0.315387  0.632929  1
  Al  Al192  1  0.686710  0.688477  0.611348  1
  Al  Al193  1  0.942629  0.610188  0.653092  1
  Al  Al194  1  0.275441  0.277204  0.653424  1
  Al  Al195  1  0.608425  0.944391  0.653093  1
  Al  Al196  1  0.980243  0.981995  0.633043  1
  Al  Al197  1  0.020054  0.355129  0.611537  1
  Al  Al198  1  0.353367  0.021815  0.611538  1
  Al  Al199  1  0.128359  0.630075  0.643434  1
  Al  Al200  1  0.461625  0.296991  0.643361  1
  Al  Al201  1  0.500289  0.667719  0.623116  1
  Al  Al202  1  0.873566  0.708353  0.601566  1
  Al  Al203  1  0.206952  0.375199  0.601680  1
  Al  Al204  1  0.540040  0.041842  0.601655  1
  Al  Al205  1  0.794755  0.963576  0.643331  1
  Al  Al206  1  0.833285  0.334913  0.622797  1
  Al  Al207  1  0.166514  1.001502  0.622981  1
  Al  Al208  1  0.295235  0.463382  0.643361  1
  Al  Al209  1  0.628319  0.130113  0.643433  1
  Al  Al210  1  0.665970  0.502035  0.623114  1
  Al  Al211  1  0.040089  0.541794  0.601654  1
  Al  Al212  1  0.373445  0.208705  0.601680  1
  Al  Al213  1  0.706599  0.875322  0.601566  1
  Al  Al214  1  0.961822  0.796510  0.643331  1
  Al  Al215  1  0.999755  0.168261  0.622980  1
  Al  Al216  1  0.333165  0.835035  0.622798  1
  Al  Al217  1  0.990956  0.328341  0.711120  1
  Al  Al218  1  0.326487  0.992816  0.711121  1
  Al  Al219  1  0.363833  0.365600  0.693547  1
  Al  Al220  1  0.737648  0.404192  0.673166  1
  Al  Al221  1  0.070519  0.072257  0.673925  1
  Al  Al222  1  0.402448  0.739392  0.673166  1
  Al  Al223  1  0.776294  0.778061  0.652626  1
  Al  Al224  1  0.697006  0.030848  0.693520  1
  Al  Al225  1  0.029070  0.698769  0.693521  1
  Al  Al226  1  0.197176  0.532426  0.693504  1
  Al  Al227  1  0.530661  0.198945  0.693504  1
  Al  Al228  1  0.573837  0.575570  0.676079  1
  Al  Al229  1  0.823658  0.494479  0.710213  1
  Al  Al230  1  0.158574  0.160430  0.711206  1
  Al  Al231  1  0.492624  0.825530  0.710217  1
  Al  Al232  1  0.864307  0.866070  0.693261  1
  Al  Al233  1  0.903969  0.239174  0.673937  1
  Al  Al234  1  0.237439  0.905707  0.673938  1
  Al  Al235  1  0.011364  0.512458  0.702945  1
  Al  Al236  1  0.344194  0.179216  0.703233  1
  Al  Al237  1  0.384609  0.553259  0.683713  1
  Al  Al238  1  0.755574  0.593836  0.662381  1
  Al  Al239  1  0.090272  0.258850  0.662101  1
  Al  Al240  1  0.423430  0.926065  0.661740  1
  Al  Al241  1  0.677524  0.843849  0.702405  1
  Al  Al242  1  0.718068  0.219556  0.683995  1
  Al  Al243  1  0.051619  0.886352  0.683891  1
  Al  Al244  1  0.177424  0.345984  0.703233  1
  Al  Al245  1  0.510669  0.013163  0.702945  1
  Al  Al246  1  0.551497  0.386373  0.683715  1
  Al  Al247  1  0.924282  0.425210  0.661739  1
  Al  Al248  1  0.257068  0.092055  0.662102  1
  Al  Al249  1  0.592072  0.757336  0.662393  1
  Al  Al250  1  0.842017  0.679313  0.702402  1
  Al  Al251  1  0.884592  0.053378  0.683890  1
  Al  Al252  1  0.217791  0.719828  0.683996  1
