# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.41518709
_cell_length_b   14.42108575
_cell_length_c   47.15006875
_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   9326.16158875
_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  0.901987  0.237467  0.319140  1
  Al  Al2  1  0.235757  0.903694  0.319140  1
  Al  Al3  1  0.277693  0.279375  0.299610  1
  Al  Al4  1  0.529548  0.198633  0.340860  1
  Al  Al5  1  0.863223  0.864911  0.340940  1
  Al  Al6  1  0.196946  0.531236  0.340859  1
  Al  Al7  1  0.570301  0.572020  0.320691  1
  Al  Al8  1  0.609231  0.944718  0.299749  1
  Al  Al9  1  0.943029  0.610916  0.299749  1
  Al  Al10  1  0.696244  0.032201  0.340858  1
  Al  Al11  1  0.030512  0.697932  0.340858  1
  Al  Al12  1  0.068870  0.070577  0.319186  1
  Al  Al13  1  0.442943  0.110754  0.299828  1
  Al  Al14  1  0.775717  0.777405  0.299779  1
  Al  Al15  1  0.109059  0.444627  0.299828  1
  Al  Al16  1  0.481800  0.483347  0.284014  1
  Al  Al17  1  0.402389  0.733659  0.318000  1
  Al  Al18  1  0.731920  0.404104  0.317991  1
  Al  Al19  1  0.882909  0.051512  0.329088  1
  Al  Al20  1  0.217156  0.717481  0.329056  1
  Al  Al21  1  0.256496  0.092015  0.309529  1
  Al  Al22  1  0.628145  0.132184  0.291524  1
  Al  Al23  1  0.961745  0.796230  0.291803  1
  Al  Al24  1  0.295404  0.464963  0.291316  1
  Al  Al25  1  0.550649  0.382475  0.331196  1
  Al  Al26  1  0.589071  0.756991  0.309197  1
  Al  Al27  1  0.922406  0.424556  0.309554  1
  Al  Al28  1  0.715755  0.218884  0.329055  1
  Al  Al29  1  0.049784  0.884635  0.329088  1
  Al  Al30  1  0.090313  0.258201  0.309529  1
  Al  Al31  1  0.463350  0.297048  0.291321  1
  Al  Al32  1  0.794610  0.963368  0.291803  1
  Al  Al33  1  0.130562  0.629766  0.291524  1
  Al  Al34  1  0.380771  0.552363  0.331180  1
  Al  Al35  1  0.422854  0.924119  0.309553  1
  Al  Al36  1  0.755279  0.590776  0.309194  1
  Al  Al37  1  0.787329  0.121919  0.380111  1
  Al  Al38  1  0.120200  0.789047  0.380111  1
  Al  Al39  1  0.158543  0.160257  0.359767  1
  Al  Al40  1  0.413374  0.081652  0.401488  1
  Al  Al41  1  0.747144  0.748860  0.401536  1
  Al  Al42  1  0.079935  0.415090  0.401488  1
  Al  Al43  1  0.453597  0.455323  0.380795  1
  Al  Al44  1  0.491659  0.826614  0.359471  1
  Al  Al45  1  0.824896  0.493373  0.359470  1
  Al  Al46  1  0.580026  0.914876  0.401372  1
  Al  Al47  1  0.913159  0.581742  0.401372  1
  Al  Al48  1  0.953752  0.955471  0.380092  1
  Al  Al49  1  0.325208  0.993882  0.359733  1
  Al  Al50  1  0.659737  0.661451  0.360117  1
  Al  Al51  1  0.992170  0.326922  0.359734  1
  Al  Al52  1  0.363927  0.365624  0.340562  1
  Al  Al53  1  0.285436  0.623127  0.381036  1
  Al  Al54  1  0.621414  0.287146  0.381042  1
  Al  Al55  1  0.766828  0.935300  0.391408  1
  Al  Al56  1  0.099838  0.601864  0.391535  1
  Al  Al57  1  0.139878  0.974995  0.370083  1
  Al  Al58  1  0.511337  0.013134  0.349719  1
  Al  Al59  1  0.845035  0.679689  0.349525  1
  Al  Al60  1  0.178259  0.346254  0.349740  1
  Al  Al61  1  0.433327  0.268403  0.391597  1
  Al  Al62  1  0.472855  0.642050  0.370277  1
  Al  Al63  1  0.806441  0.308570  0.369852  1
  Al  Al64  1  0.600159  0.101544  0.391535  1
  Al  Al65  1  0.933594  0.768534  0.391408  1
  Al  Al66  1  0.973280  0.141594  0.370083  1
  Al  Al67  1  0.344544  0.179969  0.349740  1
  Al  Al68  1  0.677980  0.846745  0.349526  1
  Al  Al69  1  0.011425  0.513046  0.349719  1
  Al  Al70  1  0.266692  0.435035  0.391598  1
  Al  Al71  1  0.306850  0.808161  0.369854  1
  Al  Al72  1  0.640334  0.474573  0.370277  1
  Al  Al73  1  0.668159  1.003024  0.443849  1
  Al  Al74  1  1.001306  0.669877  0.443849  1
  Al  Al75  1  0.040891  0.042612  0.422395  1
  Al  Al76  1  0.295449  0.963788  0.464735  1
  Al  Al77  1  0.628840  0.630565  0.464807  1
  Al  Al78  1  0.962064  0.297173  0.464735  1
  Al  Al79  1  0.334700  0.336418  0.444005  1
  Al  Al80  1  0.374182  0.709557  0.422640  1
  Al  Al81  1  0.707836  0.375904  0.422640  1
  Al  Al82  1  0.462147  0.797273  0.464819  1
  Al  Al83  1  0.795548  0.463872  0.464819  1
  Al  Al84  1  0.834931  0.836649  0.443863  1
  Al  Al85  1  0.207630  0.875889  0.422361  1
  Al  Al86  1  0.540994  0.542715  0.422577  1
  Al  Al87  1  0.874167  0.209352  0.422360  1
  Al  Al88  1  0.246577  0.248293  0.401546  1
  Al  Al89  1  0.168000  0.503197  0.443945  1
  Al  Al90  1  0.501478  0.169719  0.443944  1
  Al  Al91  1  0.648509  0.816848  0.454231  1
  Al  Al92  1  0.981678  0.483509  0.454201  1
  Al  Al93  1  0.021305  0.856475  0.432922  1
  Al  Al94  1  0.393755  0.895482  0.411896  1
  Al  Al95  1  0.727280  0.562222  0.412043  1
  Al  Al96  1  0.060374  0.228783  0.411918  1
  Al  Al97  1  0.315089  0.150038  0.454241  1
  Al  Al98  1  0.354504  0.523129  0.433307  1
  Al  Al99  1  0.688396  0.189212  0.433260  1
  Al  Al100  1  0.481786  0.983401  0.454201  1
  Al  Al101  1  0.815125  0.650232  0.454231  1
  Al  Al102  1  0.854753  0.023026  0.432922  1
  Al  Al103  1  0.227064  0.062093  0.411918  1
  Al  Al104  1  0.560502  0.729000  0.412042  1
  Al  Al105  1  0.893761  0.395475  0.411896  1
  Al  Al106  1  0.148315  0.316812  0.454241  1
  Al  Al107  1  0.187493  0.690116  0.433258  1
  Al  Al108  1  0.521406  0.356227  0.433308  1
  Al  Al109  1  0.550291  0.885360  0.506917  1
  Al  Al110  1  0.883629  0.552022  0.506917  1
  Al  Al111  1  0.922994  0.924721  0.485834  1
  Al  Al112  1  0.177616  0.846075  0.528137  1
  Al  Al113  1  0.510976  0.512709  0.528183  1
  Al  Al114  1  0.844343  0.179347  0.528136  1
  Al  Al115  1  0.216960  0.218691  0.506905  1
  Al  Al116  1  0.256206  0.591425  0.485987  1
  Al  Al117  1  0.589697  0.257933  0.485987  1
  Al  Al118  1  0.344379  0.679404  0.528213  1
  Al  Al119  1  0.677672  0.346111  0.528213  1
  Al  Al120  1  0.716950  0.718682  0.506927  1
  Al  Al121  1  0.089432  0.758137  0.485920  1
  Al  Al122  1  0.422925  0.424653  0.486016  1
  Al  Al123  1  0.756410  0.091158  0.485921  1
  Al  Al124  1  0.128764  0.130488  0.464715  1
  Al  Al125  1  0.050155  0.385378  0.506930  1
  Al  Al126  1  0.383647  0.051885  0.506931  1
  Al  Al127  1  0.530587  0.699009  0.517607  1
  Al  Al128  1  0.863904  0.365694  0.517635  1
  Al  Al129  1  0.903258  0.738386  0.496505  1
  Al  Al130  1  0.275854  0.777702  0.475385  1
  Al  Al131  1  0.609268  0.444299  0.475396  1
  Al  Al132  1  0.942531  0.110953  0.475251  1
  Al  Al133  1  0.197222  0.032320  0.517537  1
  Al  Al134  1  0.236561  0.405014  0.496575  1
  Al  Al135  1  0.569969  0.071616  0.496518  1
  Al  Al136  1  0.363964  0.865634  0.517635  1
  Al  Al137  1  0.697278  0.532318  0.517607  1
  Al  Al138  1  0.736659  0.904985  0.496505  1
  Al  Al139  1  0.109227  0.944257  0.475252  1
  Al  Al140  1  0.442572  0.610995  0.475396  1
  Al  Al141  1  0.775976  0.277579  0.475385  1
  Al  Al142  1  0.030590  0.198952  0.517537  1
  Al  Al143  1  0.069889  0.571697  0.496518  1
  Al  Al144  1  0.403286  0.238288  0.496575  1
  Al  Al145  1  0.432369  0.767111  0.570561  1
  Al  Al146  1  0.765375  0.434103  0.570559  1
  Al  Al147  1  0.805102  0.806838  0.549182  1
  Al  Al148  1  0.059797  0.728160  0.591481  1
  Al  Al149  1  0.393585  0.395324  0.591715  1
  Al  Al150  1  0.726421  0.061535  0.591481  1
  Al  Al151  1  0.098823  0.100557  0.570419  1
  Al  Al152  1  0.138416  0.473506  0.549193  1
  Al  Al153  1  0.471769  0.140152  0.549193  1
  Al  Al154  1  0.226369  0.561506  0.591488  1
  Al  Al155  1  0.559766  0.228108  0.591487  1
  Al  Al156  1  0.598794  0.600529  0.570399  1
  Al  Al157  1  0.971822  0.640183  0.549167  1
  Al  Al158  1  0.305264  0.307000  0.549274  1
  Al  Al159  1  0.638446  0.973558  0.549167  1
  Al  Al160  1  0.010995  0.012727  0.528102  1
  Al  Al161  1  0.932200  0.267181  0.570381  1
  Al  Al162  1  0.265446  0.933935  0.570382  1
  Al  Al163  1  0.412762  0.581041  0.581091  1
  Al  Al164  1  0.745952  0.247746  0.580976  1
  Al  Al165  1  0.785450  0.620392  0.559521  1
  Al  Al166  1  0.158071  0.659861  0.538714  1
  Al  Al167  1  0.491463  0.326517  0.538786  1
  Al  Al168  1  0.824813  0.993121  0.538695  1
  Al  Al169  1  0.079291  0.914364  0.580976  1
  Al  Al170  1  0.118762  0.287124  0.559489  1
  Al  Al171  1  0.452227  0.953569  0.559634  1
  Al  Al172  1  0.246010  0.747691  0.580976  1
  Al  Al173  1  0.579303  0.414499  0.581090  1
  Al  Al174  1  0.618650  0.787191  0.559522  1
  Al  Al175  1  0.991388  0.826547  0.538695  1
  Al  Al176  1  0.324783  0.493198  0.538786  1
  Al  Al177  1  0.658127  0.159805  0.538714  1
  Al  Al178  1  0.912627  0.081028  0.580976  1
  Al  Al179  1  0.951831  0.453965  0.559632  1
  Al  Al180  1  0.285384  0.120502  0.559490  1
  Al  Al181  1  0.313614  0.648615  0.633162  1
  Al  Al182  1  0.646870  0.315358  0.633162  1
  Al  Al183  1  0.686690  0.688446  0.611575  1
  Al  Al184  1  0.942610  0.610157  0.653331  1
  Al  Al185  1  0.275422  0.277175  0.653663  1
  Al  Al186  1  0.608405  0.944360  0.653332  1
  Al  Al187  1  0.980223  0.981965  0.633276  1
  Al  Al188  1  0.020034  0.355099  0.611763  1
  Al  Al189  1  0.353348  0.021785  0.611763  1
  Al  Al190  1  0.109164  0.443701  0.653554  1
  Al  Al191  1  0.441949  0.110916  0.653554  1
  Al  Al192  1  0.481677  0.483420  0.633842  1
  Al  Al193  1  0.852417  0.522282  0.612191  1
  Al  Al194  1  0.186646  0.188397  0.611860  1
  Al  Al195  1  0.520535  0.854162  0.612196  1
  Al  Al196  1  0.893034  0.894772  0.591489  1
  Al  Al197  1  0.813579  0.148995  0.633282  1
  Al  Al198  1  0.147254  0.815321  0.633283  1
  Al  Al199  1  0.295216  0.463353  0.643596  1
  Al  Al200  1  0.628300  0.130082  0.643669  1
  Al  Al201  1  0.665952  0.502004  0.623345  1
  Al  Al202  1  0.040069  0.541764  0.601877  1
  Al  Al203  1  0.373425  0.208675  0.601903  1
  Al  Al204  1  0.706579  0.875291  0.601789  1
  Al  Al205  1  0.961802  0.796480  0.643567  1
  Al  Al206  1  0.999735  0.168230  0.623211  1
  Al  Al207  1  0.333145  0.835004  0.623029  1
  Al  Al208  1  0.128339  0.630045  0.643669  1
  Al  Al209  1  0.461607  0.296961  0.643597  1
  Al  Al210  1  0.500268  0.667690  0.623346  1
  Al  Al211  1  0.873546  0.708323  0.601789  1
  Al  Al212  1  0.206932  0.375169  0.601903  1
  Al  Al213  1  0.540021  0.041811  0.601877  1
  Al  Al214  1  0.794735  0.963546  0.643566  1
  Al  Al215  1  0.833265  0.334882  0.623029  1
  Al  Al216  1  0.166494  1.001471  0.623212  1
  Al  Al217  1  0.197159  0.532398  0.693756  1
  Al  Al218  1  0.530644  0.198918  0.693756  1
  Al  Al219  1  0.573815  0.575537  0.676324  1
  Al  Al220  1  0.823668  0.494448  0.710472  1
  Al  Al221  1  0.158567  0.160412  0.711463  1
  Al  Al222  1  0.492603  0.825529  0.710475  1
  Al  Al223  1  0.864288  0.866041  0.693514  1
  Al  Al224  1  0.903952  0.239145  0.674185  1
  Al  Al225  1  0.237421  0.905679  0.674187  1
  Al  Al226  1  0.990955  0.328318  0.711378  1
  Al  Al227  1  0.326474  0.992804  0.711379  1
  Al  Al228  1  0.363816  0.365572  0.693798  1
  Al  Al229  1  0.737631  0.404164  0.673415  1
  Al  Al230  1  0.070502  0.072229  0.674173  1
  Al  Al231  1  0.402430  0.739365  0.673415  1
  Al  Al232  1  0.776275  0.778031  0.652865  1
  Al  Al233  1  0.696988  0.030819  0.693773  1
  Al  Al234  1  0.029052  0.698740  0.693773  1
  Al  Al235  1  0.177412  0.345959  0.703488  1
  Al  Al236  1  0.510653  0.013142  0.703201  1
  Al  Al237  1  0.551478  0.386343  0.683964  1
  Al  Al238  1  0.924267  0.425180  0.661980  1
  Al  Al239  1  0.257050  0.092028  0.662343  1
  Al  Al240  1  0.592054  0.757305  0.662637  1
  Al  Al241  1  0.842004  0.679287  0.702658  1
  Al  Al242  1  0.884572  0.053347  0.684140  1
  Al  Al243  1  0.217771  0.719798  0.684245  1
  Al  Al244  1  0.011354  0.512432  0.703200  1
  Al  Al245  1  0.344180  0.179194  0.703488  1
  Al  Al246  1  0.384590  0.553229  0.683963  1
  Al  Al247  1  0.755554  0.593808  0.662625  1
  Al  Al248  1  0.090255  0.258822  0.662343  1
  Al  Al249  1  0.423411  0.926039  0.661981  1
  Al  Al250  1  0.677509  0.843826  0.702660  1
  Al  Al251  1  0.718049  0.219525  0.684244  1
  Al  Al252  1  0.051599  0.886322  0.684140  1
