# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.44954207
_cell_length_b   14.44861413
_cell_length_c   47.25456195
_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   9386.99056045
_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  0.692364  0.027196  0.340327  1
  Al  Al2  1  0.025858  0.693702  0.340327  1
  Al  Al3  1  0.065785  0.067121  0.318501  1
  Al  Al4  1  0.437892  0.105434  0.298178  1
  Al  Al5  1  0.771617  0.772957  0.298135  1
  Al  Al6  1  0.104096  0.439232  0.298178  1
  Al  Al7  1  0.475643  0.476995  0.280817  1
  Al  Al8  1  0.398028  0.731759  0.317168  1
  Al  Al9  1  0.730424  0.399364  0.317168  1
  Al  Al10  1  0.898028  0.231759  0.317168  1
  Al  Al11  1  0.230424  0.899364  0.317168  1
  Al  Al12  1  0.271617  0.272957  0.298135  1
  Al  Al13  1  0.525858  0.193702  0.340327  1
  Al  Al14  1  0.975643  0.976995  0.280817  1
  Al  Al15  1  0.192364  0.527196  0.340327  1
  Al  Al16  1  0.565785  0.567121  0.318501  1
  Al  Al17  1  0.604096  0.939232  0.298178  1
  Al  Al18  1  0.937892  0.605434  0.298178  1
  Al  Al19  1  0.713012  0.214347  0.327938  1
  Al  Al20  1  0.047340  0.878505  0.329885  1
  Al  Al21  1  0.084573  0.252402  0.307855  1
  Al  Al22  1  0.458509  0.291232  0.289149  1
  Al  Al23  1  0.789889  0.959857  0.289149  1
  Al  Al24  1  0.125292  0.626639  0.289231  1
  Al  Al25  1  0.377168  0.548677  0.329886  1
  Al  Al26  1  0.417959  0.919296  0.308174  1
  Al  Al27  1  0.751065  0.585910  0.307855  1
  Al  Al28  1  0.877168  0.048677  0.329886  1
  Al  Al29  1  0.213012  0.714347  0.327938  1
  Al  Al30  1  0.251065  0.085910  0.307855  1
  Al  Al31  1  0.625292  0.126639  0.289231  1
  Al  Al32  1  0.958509  0.791232  0.289149  1
  Al  Al33  1  0.289889  0.459857  0.289149  1
  Al  Al34  1  0.547340  0.378505  0.329885  1
  Al  Al35  1  0.584573  0.752402  0.307855  1
  Al  Al36  1  0.917959  0.419296  0.308174  1
  Al  Al37  1  0.574964  0.909596  0.401977  1
  Al  Al38  1  0.908265  0.576295  0.401977  1
  Al  Al39  1  0.948169  0.949501  0.381287  1
  Al  Al40  1  0.319998  0.988006  0.359916  1
  Al  Al41  1  0.653906  0.655239  0.360204  1
  Al  Al42  1  0.986673  0.321331  0.359916  1
  Al  Al43  1  0.359220  0.360558  0.340283  1
  Al  Al44  1  0.280858  0.616698  0.381340  1
  Al  Al45  1  0.615365  0.282191  0.381340  1
  Al  Al46  1  0.780858  0.116698  0.381340  1
  Al  Al47  1  0.115365  0.782191  0.381340  1
  Al  Al48  1  0.153906  0.155239  0.360204  1
  Al  Al49  1  0.408265  0.076295  0.401977  1
  Al  Al50  1  0.859220  0.860558  0.340283  1
  Al  Al51  1  0.074964  0.409596  0.401977  1
  Al  Al52  1  0.448169  0.449501  0.381287  1
  Al  Al53  1  0.486673  0.821331  0.359916  1
  Al  Al54  1  0.819998  0.488006  0.359916  1
  Al  Al55  1  0.594704  0.096036  0.391901  1
  Al  Al56  1  0.928181  0.762797  0.391893  1
  Al  Al57  1  0.967730  0.136064  0.370570  1
  Al  Al58  1  0.339640  0.174228  0.349916  1
  Al  Al59  1  0.672893  0.840976  0.349916  1
  Al  Al60  1  0.006293  0.507628  0.349986  1
  Al  Al61  1  0.261465  0.429514  0.391893  1
  Al  Al62  1  0.301079  0.802411  0.370209  1
  Al  Al63  1  0.634732  0.469062  0.370570  1
  Al  Al64  1  0.761465  0.929514  0.391893  1
  Al  Al65  1  0.094704  0.596036  0.391901  1
  Al  Al66  1  0.134732  0.969062  0.370570  1
  Al  Al67  1  0.506293  0.007628  0.349986  1
  Al  Al68  1  0.839640  0.674228  0.349916  1
  Al  Al69  1  0.172893  0.340976  0.349916  1
  Al  Al70  1  0.428181  0.262797  0.391893  1
  Al  Al71  1  0.467730  0.636064  0.370570  1
  Al  Al72  1  0.801079  0.302411  0.370209  1
  Al  Al73  1  0.457205  0.791908  0.464602  1
  Al  Al74  1  0.790583  0.458530  0.464602  1
  Al  Al75  1  0.829894  0.831221  0.443924  1
  Al  Al76  1  0.202711  0.870548  0.422820  1
  Al  Al77  1  0.535976  0.537305  0.422870  1
  Al  Al78  1  0.869220  0.204039  0.422821  1
  Al  Al79  1  0.241778  0.243108  0.402035  1
  Al  Al80  1  0.163190  0.497828  0.443913  1
  Al  Al81  1  0.496501  0.164517  0.443913  1
  Al  Al82  1  0.663190  0.997828  0.443913  1
  Al  Al83  1  0.996501  0.664517  0.443913  1
  Al  Al84  1  0.035976  0.037305  0.422870  1
  Al  Al85  1  0.290583  0.958530  0.464602  1
  Al  Al86  1  0.741778  0.743108  0.402035  1
  Al  Al87  1  0.957205  0.291908  0.464602  1
  Al  Al88  1  0.329894  0.331221  0.443924  1
  Al  Al89  1  0.369220  0.704039  0.422821  1
  Al  Al90  1  0.702711  0.370548  0.422820  1
  Al  Al91  1  0.476820  0.978146  0.454176  1
  Al  Al92  1  0.810196  0.644839  0.454206  1
  Al  Al93  1  0.849652  0.017652  0.433457  1
  Al  Al94  1  0.222221  0.056794  0.412343  1
  Al  Al95  1  0.555464  0.723550  0.412343  1
  Al  Al96  1  0.888758  0.390087  0.412239  1
  Al  Al97  1  0.143513  0.311522  0.454206  1
  Al  Al98  1  0.182934  0.684262  0.433521  1
  Al  Al99  1  0.516324  0.350980  0.433457  1
  Al  Al100  1  0.643513  0.811522  0.454206  1
  Al  Al101  1  0.976820  0.478146  0.454176  1
  Al  Al102  1  0.016324  0.850980  0.433457  1
  Al  Al103  1  0.388758  0.890087  0.412239  1
  Al  Al104  1  0.722221  0.556794  0.412343  1
  Al  Al105  1  0.055464  0.223550  0.412343  1
  Al  Al106  1  0.310196  0.144839  0.454206  1
  Al  Al107  1  0.349652  0.517652  0.433457  1
  Al  Al108  1  0.682934  0.184262  0.433521  1
  Al  Al109  1  0.339365  0.673983  0.527424  1
  Al  Al110  1  0.672663  0.340685  0.527424  1
  Al  Al111  1  0.711958  0.713280  0.506384  1
  Al  Al112  1  0.084644  0.752670  0.485664  1
  Al  Al113  1  0.418013  0.419336  0.485662  1
  Al  Al114  1  0.751347  0.085967  0.485664  1
  Al  Al115  1  0.123911  0.125236  0.464621  1
  Al  Al116  1  0.045254  0.379950  0.506381  1
  Al  Al117  1  0.378629  0.046575  0.506381  1
  Al  Al118  1  0.545254  0.879950  0.506381  1
  Al  Al119  1  0.878629  0.546575  0.506381  1
  Al  Al120  1  0.918013  0.919336  0.485662  1
  Al  Al121  1  0.172663  0.840685  0.527424  1
  Al  Al122  1  0.623911  0.625236  0.464621  1
  Al  Al123  1  0.839365  0.173983  0.527424  1
  Al  Al124  1  0.211958  0.213280  0.506384  1
  Al  Al125  1  0.251347  0.585967  0.485664  1
  Al  Al126  1  0.584644  0.252670  0.485664  1
  Al  Al127  1  0.358945  0.860266  0.516885  1
  Al  Al128  1  0.692278  0.526932  0.516873  1
  Al  Al129  1  0.731649  0.899636  0.496047  1
  Al  Al130  1  0.104324  0.938957  0.475141  1
  Al  Al131  1  0.437633  0.605648  0.475141  1
  Al  Al132  1  0.770978  0.272302  0.475148  1
  Al  Al133  1  0.025611  0.193599  0.516873  1
  Al  Al134  1  0.064966  0.566289  0.496031  1
  Al  Al135  1  0.398313  0.232972  0.496047  1
  Al  Al136  1  0.525611  0.693599  0.516873  1
  Al  Al137  1  0.858945  0.360266  0.516885  1
  Al  Al138  1  0.898313  0.732972  0.496047  1
  Al  Al139  1  0.270978  0.772302  0.475148  1
  Al  Al140  1  0.604324  0.438957  0.475141  1
  Al  Al141  1  0.937633  0.105648  0.475141  1
  Al  Al142  1  0.192278  0.026932  0.516873  1
  Al  Al143  1  0.231649  0.399636  0.496047  1
  Al  Al144  1  0.564966  0.066289  0.496031  1
  Al  Al145  1  0.221500  0.556189  0.590083  1
  Al  Al146  1  0.554874  0.222814  0.590083  1
  Al  Al147  1  0.593929  0.595246  0.569169  1
  Al  Al148  1  0.966765  0.634722  0.548175  1
  Al  Al149  1  0.300124  0.301441  0.548192  1
  Al  Al150  1  0.633404  0.968083  0.548175  1
  Al  Al151  1  0.006021  0.007341  0.527432  1
  Al  Al152  1  0.927334  0.261856  0.569166  1
  Al  Al153  1  0.260540  0.928651  0.569166  1
  Al  Al154  1  0.427334  0.761856  0.569166  1
  Al  Al155  1  0.760540  0.428651  0.569166  1
  Al  Al156  1  0.800124  0.801441  0.548192  1
  Al  Al157  1  0.054874  0.722814  0.590083  1
  Al  Al158  1  0.506021  0.507341  0.527432  1
  Al  Al159  1  0.721500  0.056189  0.590083  1
  Al  Al160  1  0.093929  0.095246  0.569169  1
  Al  Al161  1  0.133404  0.468083  0.548175  1
  Al  Al162  1  0.466765  0.134722  0.548175  1
  Al  Al163  1  0.241064  0.742380  0.579690  1
  Al  Al164  1  0.574380  0.409131  0.579772  1
  Al  Al165  1  0.613654  0.781712  0.558500  1
  Al  Al166  1  0.986420  0.821095  0.537883  1
  Al  Al167  1  0.319776  0.487739  0.537883  1
  Al  Al168  1  0.653076  0.154395  0.537857  1
  Al  Al169  1  0.907815  0.075696  0.579772  1
  Al  Al170  1  0.946977  0.448294  0.558568  1
  Al  Al171  1  0.280395  0.114971  0.558500  1
  Al  Al172  1  0.407815  0.575696  0.579772  1
  Al  Al173  1  0.741064  0.242380  0.579690  1
  Al  Al174  1  0.780395  0.614971  0.558500  1
  Al  Al175  1  0.153076  0.654395  0.537857  1
  Al  Al176  1  0.486420  0.321095  0.537883  1
  Al  Al177  1  0.819776  0.987739  0.537883  1
  Al  Al178  1  0.074380  0.909131  0.579772  1
  Al  Al179  1  0.113654  0.281712  0.558500  1
  Al  Al180  1  0.446977  0.948294  0.558568  1
  Al  Al181  1  0.103946  0.438791  0.652069  1
  Al  Al182  1  0.437483  0.105254  0.652069  1
  Al  Al183  1  0.476628  0.477939  0.632302  1
  Al  Al184  1  0.848140  0.516982  0.610617  1
  Al  Al185  1  0.181973  0.183284  0.610427  1
  Al  Al186  1  0.515669  0.849452  0.610616  1
  Al  Al187  1  0.888354  0.889668  0.590151  1
  Al  Al188  1  0.809303  0.143969  0.631957  1
  Al  Al189  1  0.142657  0.810615  0.631957  1
  Al  Al190  1  0.309303  0.643969  0.631957  1
  Al  Al191  1  0.642657  0.310615  0.631957  1
  Al  Al192  1  0.681973  0.683284  0.610427  1
  Al  Al193  1  0.937483  0.605254  0.652069  1
  Al  Al194  1  0.388354  0.389668  0.590151  1
  Al  Al195  1  0.603946  0.938791  0.652069  1
  Al  Al196  1  0.976628  0.977939  0.632302  1
  Al  Al197  1  0.015669  0.349452  0.610616  1
  Al  Al198  1  0.348140  0.016982  0.610617  1
  Al  Al199  1  0.123677  0.624987  0.642293  1
  Al  Al200  1  0.456913  0.291646  0.642209  1
  Al  Al201  1  0.495569  0.663108  0.621654  1
  Al  Al202  1  0.868604  0.703246  0.600259  1
  Al  Al203  1  0.201933  0.369917  0.600259  1
  Al  Al204  1  0.535164  0.036477  0.600268  1
  Al  Al205  1  0.790336  0.958223  0.642209  1
  Al  Al206  1  0.828683  0.329995  0.621411  1
  Al  Al207  1  0.161795  0.996882  0.621655  1
  Al  Al208  1  0.290336  0.458223  0.642209  1
  Al  Al209  1  0.623677  0.124987  0.642293  1
  Al  Al210  1  0.661795  0.496882  0.621655  1
  Al  Al211  1  0.035164  0.536477  0.600268  1
  Al  Al212  1  0.368604  0.203246  0.600259  1
  Al  Al213  1  0.701933  0.869917  0.600259  1
  Al  Al214  1  0.956913  0.791646  0.642209  1
  Al  Al215  1  0.995569  0.163108  0.621654  1
  Al  Al216  1  0.328683  0.829995  0.621411  1
  Al  Al217  1  0.986876  0.321436  0.712042  1
  Al  Al218  1  0.320143  0.988170  0.712042  1
  Al  Al219  1  0.359069  0.360376  0.694024  1
  Al  Al220  1  0.731020  0.398592  0.673863  1
  Al  Al221  1  0.066144  0.067454  0.675508  1
  Al  Al222  1  0.397282  0.732330  0.673863  1
  Al  Al223  1  0.770844  0.772152  0.651972  1
  Al  Al224  1  0.692289  0.026192  0.694057  1
  Al  Al225  1  0.024886  0.693596  0.694056  1
  Al  Al226  1  0.192289  0.526192  0.694057  1
  Al  Al227  1  0.524886  0.193596  0.694056  1
  Al  Al228  1  0.566144  0.567454  0.675508  1
  Al  Al229  1  0.820143  0.488170  0.712042  1
  Al  Al230  1  0.270844  0.272152  0.651972  1
  Al  Al231  1  0.486876  0.821436  0.712042  1
  Al  Al232  1  0.859069  0.860376  0.694024  1
  Al  Al233  1  0.897282  0.232330  0.673863  1
  Al  Al234  1  0.231020  0.898592  0.673863  1
  Al  Al235  1  0.006647  0.507949  0.703750  1
  Al  Al236  1  0.337160  0.173861  0.703325  1
  Al  Al237  1  0.378803  0.546821  0.684257  1
  Al  Al238  1  0.749353  0.586908  0.662619  1
  Al  Al239  1  0.085602  0.250661  0.662618  1
  Al  Al240  1  0.417983  0.919288  0.661455  1
  Al  Al241  1  0.672558  0.838459  0.703325  1
  Al  Al242  1  0.712299  0.213607  0.684602  1
  Al  Al243  1  0.045514  0.880111  0.684257  1
  Al  Al244  1  0.172558  0.338459  0.703325  1
  Al  Al245  1  0.506647  0.007949  0.703750  1
  Al  Al246  1  0.545514  0.380111  0.684257  1
  Al  Al247  1  0.917983  0.419288  0.661455  1
  Al  Al248  1  0.249353  0.086908  0.662619  1
  Al  Al249  1  0.585602  0.750661  0.662618  1
  Al  Al250  1  0.837160  0.673861  0.703325  1
  Al  Al251  1  0.878803  0.046821  0.684257  1
  Al  Al252  1  0.212299  0.713607  0.684602  1
