# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.55871243
_cell_length_b   14.55354412
_cell_length_c   47.15086807
_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   9505.69314373
_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  0.923618  0.091182  0.307273  1
  Al  Al2  1  0.256951  0.757849  0.307273  1
  Al  Al3  1  0.295327  0.129653  0.287954  1
  Al  Al4  1  0.550860  0.051714  0.327306  1
  Al  Al5  1  0.884193  0.718381  0.327306  1
  Al  Al6  1  0.217527  0.385047  0.327306  1
  Al  Al7  1  0.590284  0.424515  0.307273  1
  Al  Al8  1  0.628660  0.796320  0.287954  1
  Al  Al9  1  0.961993  0.462987  0.287954  1
  Al  Al10  1  0.756951  0.257849  0.307273  1
  Al  Al11  1  0.090284  0.924515  0.307273  1
  Al  Al12  1  0.128660  0.296320  0.287954  1
  Al  Al13  1  0.384193  0.218381  0.327306  1
  Al  Al14  1  0.717527  0.885047  0.327306  1
  Al  Al15  1  0.050860  0.551714  0.327306  1
  Al  Al16  1  0.423618  0.591182  0.307273  1
  Al  Al17  1  0.461993  0.962987  0.287954  1
  Al  Al18  1  0.795327  0.629653  0.287954  1
  Al  Al19  1  0.943317  0.277583  0.297058  1
  Al  Al20  1  0.276651  0.944250  0.297058  1
  Al  Al21  1  0.197558  0.198454  0.338800  1
  Al  Al22  1  0.570718  0.238258  0.317446  1
  Al  Al23  1  0.904052  0.904925  0.317446  1
  Al  Al24  1  0.237385  0.571591  0.317446  1
  Al  Al25  1  0.609984  0.610917  0.297058  1
  Al  Al26  1  0.530892  0.865121  0.338800  1
  Al  Al27  1  0.864225  0.531788  0.338800  1
  Al  Al28  1  0.737385  0.071591  0.317446  1
  Al  Al29  1  0.070718  0.738258  0.317446  1
  Al  Al30  1  0.109984  0.110917  0.297058  1
  Al  Al31  1  0.364225  0.031788  0.338800  1
  Al  Al32  1  0.697558  0.698454  0.338800  1
  Al  Al33  1  0.030892  0.365121  0.338800  1
  Al  Al34  1  0.404052  0.404925  0.317446  1
  Al  Al35  1  0.443317  0.777583  0.297058  1
  Al  Al36  1  0.776651  0.444250  0.297058  1
  Al  Al37  1  0.805429  0.972925  0.369166  1
  Al  Al38  1  0.138762  0.639592  0.369166  1
  Al  Al39  1  0.177979  0.012185  0.348672  1
  Al  Al40  1  0.432835  0.933658  0.390695  1
  Al  Al41  1  0.766168  0.600324  0.390695  1
  Al  Al42  1  0.099501  0.266991  0.390695  1
  Al  Al43  1  0.472096  0.306258  0.369166  1
  Al  Al44  1  0.511312  0.678852  0.348672  1
  Al  Al45  1  0.844646  0.345519  0.348672  1
  Al  Al46  1  0.638762  0.139592  0.369166  1
  Al  Al47  1  0.972096  0.806258  0.369166  1
  Al  Al48  1  0.011312  0.178852  0.348672  1
  Al  Al49  1  0.266168  0.100324  0.390695  1
  Al  Al50  1  0.599501  0.766991  0.390695  1
  Al  Al51  1  0.932835  0.433658  0.390695  1
  Al  Al52  1  0.305429  0.472925  0.369166  1
  Al  Al53  1  0.344646  0.845519  0.348672  1
  Al  Al54  1  0.677979  0.512185  0.348672  1
  Al  Al55  1  0.825023  0.159206  0.358915  1
  Al  Al56  1  0.158356  0.825872  0.358915  1
  Al  Al57  1  0.079787  0.080598  0.400826  1
  Al  Al58  1  0.452690  0.120169  0.379657  1
  Al  Al59  1  0.786023  0.786836  0.379657  1
  Al  Al60  1  0.119357  0.453502  0.379657  1
  Al  Al61  1  0.491689  0.492539  0.358915  1
  Al  Al62  1  0.413121  0.747265  0.400826  1
  Al  Al63  1  0.746454  0.413931  0.400826  1
  Al  Al64  1  0.619357  0.953502  0.379657  1
  Al  Al65  1  0.952690  0.620169  0.379657  1
  Al  Al66  1  0.991689  0.992539  0.358915  1
  Al  Al67  1  0.246454  0.913931  0.400826  1
  Al  Al68  1  0.579787  0.580598  0.400826  1
  Al  Al69  1  0.913121  0.247265  0.400826  1
  Al  Al70  1  0.286023  0.286836  0.379657  1
  Al  Al71  1  0.325023  0.659206  0.358915  1
  Al  Al72  1  0.658356  0.325872  0.358915  1
  Al  Al73  1  0.687668  0.855098  0.432060  1
  Al  Al74  1  0.021002  0.521765  0.432060  1
  Al  Al75  1  0.060119  0.894247  0.411125  1
  Al  Al76  1  0.314877  0.815627  0.452969  1
  Al  Al77  1  0.648210  0.482293  0.452969  1
  Al  Al78  1  0.981544  0.148960  0.452969  1
  Al  Al79  1  0.354335  0.188431  0.432060  1
  Al  Al80  1  0.393452  0.560914  0.411125  1
  Al  Al81  1  0.726786  0.227580  0.411125  1
  Al  Al82  1  0.521002  0.021765  0.432060  1
  Al  Al83  1  0.854335  0.688431  0.432060  1
  Al  Al84  1  0.893452  0.060914  0.411125  1
  Al  Al85  1  0.148210  0.982293  0.452969  1
  Al  Al86  1  0.481544  0.648960  0.452969  1
  Al  Al87  1  0.814877  0.315627  0.452969  1
  Al  Al88  1  0.187668  0.355098  0.432060  1
  Al  Al89  1  0.226786  0.727580  0.411125  1
  Al  Al90  1  0.560119  0.394247  0.411125  1
  Al  Al91  1  0.707218  0.041329  0.421511  1
  Al  Al92  1  0.040551  0.707996  0.421511  1
  Al  Al93  1  0.961877  0.962615  0.463357  1
  Al  Al94  1  0.334575  0.002001  0.442736  1
  Al  Al95  1  0.667908  0.668668  0.442736  1
  Al  Al96  1  0.001241  0.335335  0.442736  1
  Al  Al97  1  0.373885  0.374662  0.421511  1
  Al  Al98  1  0.295210  0.629282  0.463357  1
  Al  Al99  1  0.628544  0.295948  0.463357  1
  Al  Al100  1  0.501241  0.835335  0.442736  1
  Al  Al101  1  0.834575  0.502001  0.442736  1
  Al  Al102  1  0.873885  0.874662  0.421511  1
  Al  Al103  1  0.128544  0.795948  0.463357  1
  Al  Al104  1  0.461877  0.462615  0.463357  1
  Al  Al105  1  0.795210  0.129282  0.463357  1
  Al  Al106  1  0.167908  0.168668  0.442736  1
  Al  Al107  1  0.207218  0.541329  0.421511  1
  Al  Al108  1  0.540551  0.207996  0.421511  1
  Al  Al109  1  0.569654  0.737022  0.494849  1
  Al  Al110  1  0.902988  0.403689  0.494849  1
  Al  Al111  1  0.942284  0.776340  0.473827  1
  Al  Al112  1  0.196934  0.697616  0.515610  1
  Al  Al113  1  0.530267  0.364282  0.515610  1
  Al  Al114  1  0.863600  0.030949  0.515610  1
  Al  Al115  1  0.236321  0.070355  0.494849  1
  Al  Al116  1  0.275617  0.443007  0.473827  1
  Al  Al117  1  0.608951  0.109674  0.473827  1
  Al  Al118  1  0.402988  0.903689  0.494849  1
  Al  Al119  1  0.736321  0.570355  0.494849  1
  Al  Al120  1  0.775617  0.943007  0.473827  1
  Al  Al121  1  0.030267  0.864282  0.515610  1
  Al  Al122  1  0.363600  0.530949  0.515610  1
  Al  Al123  1  0.696934  0.197616  0.515610  1
  Al  Al124  1  0.069654  0.237022  0.494849  1
  Al  Al125  1  0.108951  0.609674  0.473827  1
  Al  Al126  1  0.442284  0.276340  0.473827  1
  Al  Al127  1  0.589354  0.923396  0.484352  1
  Al  Al128  1  0.922687  0.590063  0.484352  1
  Al  Al129  1  0.844004  0.844672  0.526134  1
  Al  Al130  1  0.216633  0.883990  0.505112  1
  Al  Al131  1  0.549967  0.550657  0.505112  1
  Al  Al132  1  0.883300  0.217324  0.505112  1
  Al  Al133  1  0.256021  0.256730  0.484352  1
  Al  Al134  1  0.177337  0.511338  0.526134  1
  Al  Al135  1  0.510670  0.178005  0.526134  1
  Al  Al136  1  0.383300  0.717324  0.505112  1
  Al  Al137  1  0.716633  0.383990  0.505112  1
  Al  Al138  1  0.756021  0.756730  0.484352  1
  Al  Al139  1  0.010670  0.678005  0.526134  1
  Al  Al140  1  0.344004  0.344672  0.526134  1
  Al  Al141  1  0.677337  0.011338  0.526134  1
  Al  Al142  1  0.049967  0.050657  0.505112  1
  Al  Al143  1  0.089354  0.423396  0.484352  1
  Al  Al144  1  0.422687  0.090063  0.484352  1
  Al  Al145  1  0.451713  0.619011  0.557226  1
  Al  Al146  1  0.785046  0.285677  0.557226  1
  Al  Al147  1  0.824411  0.658397  0.536605  1
  Al  Al148  1  0.079070  0.579683  0.578450  1
  Al  Al149  1  0.412403  0.246350  0.578450  1
  Al  Al150  1  0.745736  0.913017  0.578450  1
  Al  Al151  1  0.118380  0.952344  0.557226  1
  Al  Al152  1  0.157744  0.325064  0.536605  1
  Al  Al153  1  0.491077  0.991731  0.536605  1
  Al  Al154  1  0.285046  0.785677  0.557226  1
  Al  Al155  1  0.618380  0.452344  0.557226  1
  Al  Al156  1  0.657744  0.825064  0.536605  1
  Al  Al157  1  0.912403  0.746350  0.578450  1
  Al  Al158  1  0.245736  0.413017  0.578450  1
  Al  Al159  1  0.579070  0.079683  0.578450  1
  Al  Al160  1  0.951713  0.119011  0.557226  1
  Al  Al161  1  0.991077  0.491731  0.536605  1
  Al  Al162  1  0.324411  0.158397  0.536605  1
  Al  Al163  1  0.471411  0.805385  0.546992  1
  Al  Al164  1  0.804744  0.472052  0.546992  1
  Al  Al165  1  0.726169  0.726765  0.588836  1
  Al  Al166  1  0.098619  0.765914  0.567902  1
  Al  Al167  1  0.431953  0.432581  0.567902  1
  Al  Al168  1  0.765286  0.099248  0.567902  1
  Al  Al169  1  0.138077  0.138719  0.546992  1
  Al  Al170  1  0.059502  0.393432  0.588836  1
  Al  Al171  1  0.392835  0.060098  0.588836  1
  Al  Al172  1  0.265286  0.599248  0.567902  1
  Al  Al173  1  0.598619  0.265914  0.567902  1
  Al  Al174  1  0.638077  0.638719  0.546992  1
  Al  Al175  1  0.892835  0.560098  0.588836  1
  Al  Al176  1  0.226169  0.226765  0.588836  1
  Al  Al177  1  0.559502  0.893432  0.588836  1
  Al  Al178  1  0.931953  0.932581  0.567902  1
  Al  Al179  1  0.971411  0.305385  0.546992  1
  Al  Al180  1  0.304744  0.972052  0.546992  1
  Al  Al181  1  0.333598  0.500843  0.620305  1
  Al  Al182  1  0.666931  0.167510  0.620305  1
  Al  Al183  1  0.706500  0.540414  0.599136  1
  Al  Al184  1  0.961265  0.461807  0.641046  1
  Al  Al185  1  0.294598  0.128473  0.641046  1
  Al  Al186  1  0.627932  0.795140  0.641046  1
  Al  Al187  1  1.000264  0.834176  0.620305  1
  Al  Al188  1  0.039834  0.207081  0.599136  1
  Al  Al189  1  0.373167  0.873748  0.599136  1
  Al  Al190  1  0.166931  0.667510  0.620305  1
  Al  Al191  1  0.500264  0.334176  0.620305  1
  Al  Al192  1  0.539834  0.707081  0.599136  1
  Al  Al193  1  0.794598  0.628473  0.641046  1
  Al  Al194  1  0.127932  0.295140  0.641046  1
  Al  Al195  1  0.461265  0.961807  0.641046  1
  Al  Al196  1  0.833598  1.000843  0.620305  1
  Al  Al197  1  0.873167  0.373748  0.599136  1
  Al  Al198  1  0.206500  0.040414  0.599136  1
  Al  Al199  1  0.353453  0.687355  0.609266  1
  Al  Al200  1  0.686786  0.354021  0.609266  1
  Al  Al201  1  0.608309  0.608827  0.651289  1
  Al  Al202  1  0.980859  0.648087  0.630795  1
  Al  Al203  1  0.314192  0.314754  0.630795  1
  Al  Al204  1  0.647525  0.981420  0.630795  1
  Al  Al205  1  0.020119  0.020688  0.609266  1
  Al  Al206  1  0.941642  0.275493  0.651289  1
  Al  Al207  1  0.274975  0.942160  0.651289  1
  Al  Al208  1  0.147525  0.481420  0.630795  1
  Al  Al209  1  0.480859  0.148087  0.630795  1
  Al  Al210  1  0.520119  0.520688  0.609266  1
  Al  Al211  1  0.774975  0.442160  0.651289  1
  Al  Al212  1  0.108309  0.108827  0.651289  1
  Al  Al213  1  0.441642  0.775493  0.651289  1
  Al  Al214  1  0.814192  0.814754  0.630795  1
  Al  Al215  1  0.853453  0.187355  0.609266  1
  Al  Al216  1  0.186786  0.854021  0.609266  1
  Al  Al217  1  0.215569  0.382754  0.682515  1
  Al  Al218  1  0.548903  0.049421  0.682515  1
  Al  Al219  1  0.588729  0.422558  0.661162  1
  Al  Al220  1  0.842970  0.343429  0.702903  1
  Al  Al221  1  0.176304  0.010096  0.702903  1
  Al  Al222  1  0.509637  0.676762  0.702903  1
  Al  Al223  1  0.882236  0.716088  0.682515  1
  Al  Al224  1  0.922063  0.089224  0.661162  1
  Al  Al225  1  0.255396  0.755891  0.661162  1
  Al  Al226  1  0.048903  0.549421  0.682515  1
  Al  Al227  1  0.382236  0.216088  0.682515  1
  Al  Al228  1  0.422063  0.589224  0.661162  1
  Al  Al229  1  0.676304  0.510096  0.702903  1
  Al  Al230  1  0.009637  0.176762  0.702903  1
  Al  Al231  1  0.342970  0.843429  0.702903  1
  Al  Al232  1  0.715569  0.882754  0.682515  1
  Al  Al233  1  0.755396  0.255891  0.661162  1
  Al  Al234  1  0.088729  0.922558  0.661162  1
  Al  Al235  1  0.235428  0.569298  0.672655  1
  Al  Al236  1  0.568761  0.235965  0.672655  1
  Al  Al237  1  0.490961  0.491359  0.712008  1
  Al  Al238  1  0.862670  0.529830  0.692689  1
  Al  Al239  1  0.196003  0.196497  0.692689  1
  Al  Al240  1  0.529337  0.863163  0.692689  1
  Al  Al241  1  0.902094  0.902631  0.672655  1
  Al  Al242  1  0.824294  0.158025  0.712008  1
  Al  Al243  1  0.157628  0.824692  0.712008  1
  Al  Al244  1  0.029337  0.363163  0.692689  1
  Al  Al245  1  0.362670  0.029830  0.692689  1
  Al  Al246  1  0.402094  0.402631  0.672655  1
  Al  Al247  1  0.657628  0.324692  0.712008  1
  Al  Al248  1  0.990961  0.991359  0.712008  1
  Al  Al249  1  0.324294  0.658025  0.712008  1
  Al  Al250  1  0.696003  0.696497  0.692689  1
  Al  Al251  1  0.735428  0.069298  0.672655  1
  Al  Al252  1  0.068761  0.735965  0.672655  1
