# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67424491
_cell_length_b   12.67504779
_cell_length_c   47.74301937
_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   7631.31146046
_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  0.926224  0.259827  0.345507  1
  Al  Al2  1  0.348914  0.017511  0.271364  1
  Al  Al3  1  0.318789  0.319629  0.294313  1
  Al  Al4  1  0.683922  0.681986  0.272011  1
  Al  Al5  1  0.653033  0.986427  0.293905  1
  Al  Al6  1  0.625017  0.288845  0.320045  1
  Al  Al7  1  0.983496  0.651109  0.293583  1
  Al  Al8  1  0.955178  0.958867  0.320115  1
  Al  Al9  1  0.289499  0.623300  0.320844  1
  Al  Al10  1  0.150786  0.484264  0.293485  1
  Al  Al11  1  0.488044  0.153120  0.294175  1
  Al  Al12  1  0.457601  0.458922  0.320948  1
  Al  Al13  1  0.819614  0.822143  0.294397  1
  Al  Al14  1  0.788282  0.122488  0.318033  1
  Al  Al15  1  0.760109  0.427072  0.345637  1
  Al  Al16  1  0.124130  0.789850  0.320943  1
  Al  Al17  1  0.183433  0.184147  0.271449  1
  Al  Al18  1  0.426393  0.760133  0.345509  1
  Al  Al19  1  0.955238  0.455387  0.318234  1
  Al  Al20  1  0.291147  0.124375  0.321245  1
  Al  Al21  1  0.350709  0.516890  0.271005  1
  Al  Al22  1  0.621588  0.792498  0.320040  1
  Al  Al23  1  0.593420  0.093747  0.345530  1
  Al  Al24  1  0.654708  0.485644  0.294354  1
  Al  Al25  1  0.016331  0.851538  0.271399  1
  Al  Al26  1  0.985342  0.152774  0.294267  1
  Al  Al27  1  0.322334  0.819927  0.293791  1
  Al  Al28  1  0.120997  0.291172  0.320069  1
  Al  Al29  1  0.458324  0.955694  0.319901  1
  Al  Al30  1  0.516006  0.349746  0.271446  1
  Al  Al31  1  0.791948  0.622655  0.320325  1
  Al  Al32  1  0.760088  0.927172  0.345550  1
  Al  Al33  1  0.820196  0.320554  0.294352  1
  Al  Al34  1  0.183541  0.685371  0.271135  1
  Al  Al35  1  0.152493  0.985614  0.294454  1
  Al  Al36  1  0.485562  0.655872  0.293820  1
  Al  Al37  1  0.835110  0.168884  0.422561  1
  Al  Al38  1  0.260084  0.926934  0.345516  1
  Al  Al39  1  0.229129  0.230694  0.371301  1
  Al  Al40  1  0.593602  0.594086  0.345432  1
  Al  Al41  1  0.563266  0.896786  0.371378  1
  Al  Al42  1  0.532656  0.199454  0.396883  1
  Al  Al43  1  0.896842  0.562671  0.371038  1
  Al  Al44  1  0.865614  0.866174  0.396829  1
  Al  Al45  1  0.198742  0.532562  0.396823  1
  Al  Al46  1  0.062019  0.397079  0.370973  1
  Al  Al47  1  0.396873  0.063024  0.371276  1
  Al  Al48  1  0.365852  0.366110  0.396923  1
  Al  Al49  1  0.729764  0.729966  0.370946  1
  Al  Al50  1  0.699140  0.032884  0.396855  1
  Al  Al51  1  0.668699  0.335424  0.422555  1
  Al  Al52  1  0.032223  0.699331  0.396817  1
  Al  Al53  1  0.093545  0.093610  0.345625  1
  Al  Al54  1  0.335224  0.668863  0.422711  1
  Al  Al55  1  0.865602  0.365977  0.396811  1
  Al  Al56  1  0.199183  0.032832  0.396942  1
  Al  Al57  1  0.259652  0.427007  0.345389  1
  Al  Al58  1  0.532646  0.699526  0.396912  1
  Al  Al59  1  0.501964  1.002284  0.422689  1
  Al  Al60  1  0.563693  0.396208  0.371196  1
  Al  Al61  1  0.926984  0.760294  0.345395  1
  Al  Al62  1  0.895466  0.063943  0.370933  1
  Al  Al63  1  0.229514  0.729976  0.371475  1
  Al  Al64  1  0.032188  0.199486  0.396847  1
  Al  Al65  1  0.365859  0.866074  0.396949  1
  Al  Al66  1  0.426859  0.260896  0.345492  1
  Al  Al67  1  0.699221  0.532946  0.396864  1
  Al  Al68  1  0.668713  0.835484  0.422615  1
  Al  Al69  1  0.730265  0.229258  0.370875  1
  Al  Al70  1  0.092563  0.593034  0.345149  1
  Al  Al71  1  0.062354  0.897147  0.371232  1
  Al  Al72  1  0.396511  0.563368  0.371495  1
  Al  Al73  1  0.743588  0.077300  0.499792  1
  Al  Al74  1  0.168375  0.835676  0.422653  1
  Al  Al75  1  0.137933  0.138407  0.448320  1
  Al  Al76  1  0.502122  0.502138  0.422664  1
  Al  Al77  1  0.471429  0.805031  0.448378  1
  Al  Al78  1  0.440848  0.107840  0.474097  1
  Al  Al79  1  0.804633  0.471680  0.448299  1
  Al  Al80  1  0.774134  0.774501  0.474057  1
  Al  Al81  1  0.107404  0.441160  0.474029  1
  Al  Al82  1  0.971224  0.305017  0.448293  1
  Al  Al83  1  0.304690  0.971723  0.448371  1
  Al  Al84  1  0.274130  0.274497  0.474052  1
  Al  Al85  1  0.638082  0.638363  0.448353  1
  Al  Al86  1  0.607526  0.941160  0.474095  1
  Al  Al87  1  0.576989  0.243922  0.499804  1
  Al  Al88  1  0.940715  0.607853  0.474022  1
  Al  Al89  1  1.001646  1.002376  0.422561  1
  Al  Al90  1  0.243570  0.577277  0.499756  1
  Al  Al91  1  0.774114  0.274482  0.474040  1
  Al  Al92  1  0.107371  0.941216  0.474039  1
  Al  Al93  1  0.168339  0.335643  0.422588  1
  Al  Al94  1  0.440863  0.607796  0.474084  1
  Al  Al95  1  0.410325  0.910648  0.499816  1
  Al  Al96  1  0.471432  0.304988  0.448350  1
  Al  Al97  1  0.835180  0.668888  0.422525  1
  Al  Al98  1  0.804623  0.971714  0.448318  1
  Al  Al99  1  0.137899  0.638341  0.448300  1
  Al  Al100  1  0.940721  0.107851  0.474030  1
  Al  Al101  1  0.274113  0.774512  0.474072  1
  Al  Al102  1  0.335257  0.168966  0.422635  1
  Al  Al103  1  0.607544  0.441102  0.474063  1
  Al  Al104  1  0.576992  0.743979  0.499816  1
  Al  Al105  1  0.638048  0.138357  0.448346  1
  Al  Al106  1  1.001719  0.502176  0.422581  1
  Al  Al107  1  0.971218  0.805048  0.448292  1
  Al  Al108  1  0.304647  0.471661  0.448326  1
  Al  Al109  1  0.652163  0.985789  0.577177  1
  Al  Al110  1  0.076834  0.743984  0.499743  1
  Al  Al111  1  0.046277  0.046820  0.525469  1
  Al  Al112  1  0.410310  0.410576  0.499780  1
  Al  Al113  1  0.379775  0.713417  0.525506  1
  Al  Al114  1  0.349280  0.016285  0.551239  1
  Al  Al115  1  0.713103  0.380044  0.525511  1
  Al  Al116  1  0.682616  0.682932  0.551253  1
  Al  Al117  1  0.015726  0.349550  0.551168  1
  Al  Al118  1  0.879644  0.213453  0.525489  1
  Al  Al119  1  0.213019  0.880122  0.525473  1
  Al  Al120  1  0.182474  0.182925  0.551193  1
  Al  Al121  1  0.546478  0.546714  0.525510  1
  Al  Al122  1  0.516002  0.849618  0.551283  1
  Al  Al123  1  0.485689  0.152247  0.577059  1
  Al  Al124  1  0.849148  0.516210  0.551205  1
  Al  Al125  1  0.910178  0.910659  0.499762  1
  Al  Al126  1  0.151835  0.485603  0.576864  1
  Al  Al127  1  0.682601  0.182846  0.551275  1
  Al  Al128  1  0.015661  0.849638  0.551185  1
  Al  Al129  1  0.076871  0.243972  0.499747  1
  Al  Al130  1  0.349247  0.516130  0.551188  1
  Al  Al131  1  0.318665  0.819056  0.576889  1
  Al  Al132  1  0.379818  0.213387  0.525527  1
  Al  Al133  1  0.743607  0.577293  0.499779  1
  Al  Al134  1  0.713065  0.880163  0.525561  1
  Al  Al135  1  0.046294  0.546783  0.525463  1
  Al  Al136  1  0.849080  0.016272  0.551241  1
  Al  Al137  1  0.182393  0.682908  0.551160  1
  Al  Al138  1  0.243587  0.077322  0.499781  1
  Al  Al139  1  0.515999  0.349454  0.551244  1
  Al  Al140  1  0.485569  0.652231  0.576934  1
  Al  Al141  1  0.546513  0.046751  0.525574  1
  Al  Al142  1  0.910206  0.410632  0.499743  1
  Al  Al143  1  0.879642  0.713496  0.525504  1
  Al  Al144  1  0.213054  0.380057  0.525475  1
  Al  Al145  1  0.560599  0.894565  0.653946  1
  Al  Al146  1  0.985029  0.652517  0.576928  1
  Al  Al147  1  0.954354  0.955157  0.602672  1
  Al  Al148  1  0.318875  0.318864  0.576932  1
  Al  Al149  1  0.287941  0.621676  0.602495  1
  Al  Al150  1  0.257105  0.925191  0.628179  1
  Al  Al151  1  0.621603  0.288277  0.602742  1
  Al  Al152  1  0.591791  0.590712  0.628508  1
  Al  Al153  1  0.923915  0.257975  0.628600  1
  Al  Al154  1  0.787975  0.121638  0.602763  1
  Al  Al155  1  0.121062  0.788611  0.602554  1
  Al  Al156  1  0.090538  0.091235  0.628079  1
  Al  Al157  1  0.455059  0.454981  0.602639  1
  Al  Al158  1  0.424837  0.757431  0.628142  1
  Al  Al159  1  0.394468  0.061243  0.654043  1
  Al  Al160  1  0.756913  0.425069  0.628556  1
  Al  Al161  1  0.818504  0.819294  0.577059  1
  Al  Al162  1  0.060174  0.393790  0.653966  1
  Al  Al163  1  0.591357  0.091433  0.628983  1
  Al  Al164  1  0.923289  0.758871  0.628567  1
  Al  Al165  1  0.984994  0.152489  0.576920  1
  Al  Al166  1  0.258052  0.423859  0.628164  1
  Al  Al167  1  0.226929  0.727454  0.653762  1
  Al  Al168  1  0.288275  0.122014  0.602632  1
  Al  Al169  1  0.652131  0.485607  0.576957  1
  Al  Al170  1  0.621800  0.788579  0.602725  1
  Al  Al171  1  0.954476  0.454908  0.602607  1
  Al  Al172  1  0.757718  0.924905  0.629039  1
  Al  Al173  1  0.090087  0.591650  0.628158  1
  Al  Al174  1  0.151849  0.985762  0.576837  1
  Al  Al175  1  0.425357  0.257231  0.628537  1
  Al  Al176  1  0.393688  0.560972  0.653777  1
  Al  Al177  1  0.454998  0.955365  0.602699  1
  Al  Al178  1  0.818574  0.318978  0.577022  1
  Al  Al179  1  0.788178  0.621833  0.602675  1
  Al  Al180  1  0.121182  0.288453  0.602580  1
  Al  Al181  1  0.469389  0.802749  0.727800  1
  Al  Al182  1  0.893690  0.560818  0.653802  1
  Al  Al183  1  0.865667  0.865313  0.681293  1
  Al  Al184  1  0.227679  0.227764  0.653831  1
  Al  Al185  1  0.195888  0.529436  0.678173  1
  Al  Al186  1  0.165410  0.834660  0.705010  1
  Al  Al187  1  0.531105  0.199104  0.681214  1
  Al  Al188  1  0.501814  0.502054  0.705124  1
  Al  Al189  1  0.833335  0.167095  0.704700  1
  Al  Al190  1  0.698169  0.031145  0.680904  1
  Al  Al191  1  0.028721  0.699128  0.679309  1
  Al  Al192  1  1.002094  1.002058  0.705260  1
  Al  Al193  1  0.366316  0.363472  0.679375  1
  Al  Al194  1  0.334475  0.669084  0.704707  1
  Al  Al195  1  0.303451  0.969164  0.727714  1
  Al  Al196  1  0.667362  0.334557  0.704878  1
  Al  Al197  1  0.727543  0.727872  0.653907  1
  Al  Al198  1  0.972320  0.305953  0.727210  1
  Al  Al199  1  0.502621  1.002769  0.705155  1
  Al  Al200  1  0.833581  0.667224  0.705054  1
  Al  Al201  1  0.893561  0.060654  0.653934  1
  Al  Al202  1  0.168952  0.331922  0.705159  1
  Al  Al203  1  0.138239  0.637940  0.727870  1
  Al  Al204  1  0.196377  0.033148  0.679466  1
  Al  Al205  1  0.560940  0.394587  0.653932  1
  Al  Al206  1  0.532565  0.696079  0.679293  1
  Al  Al207  1  0.861677  0.365761  0.679249  1
  Al  Al208  1  0.667693  0.833603  0.704776  1
  Al  Al209  1  0.999525  0.502374  0.705029  1
  Al  Al210  1  0.060447  0.894460  0.653833  1
  Al  Al211  1  0.333511  0.168873  0.705402  1
  Al  Al212  1  0.303410  0.471598  0.727732  1
  Al  Al213  1  0.363341  0.864314  0.678114  1
  Al  Al214  1  0.726880  0.227140  0.653908  1
  Al  Al215  1  0.698590  0.532242  0.681260  1
  Al  Al216  1  0.032163  0.195519  0.679297  1
