# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.46567906
_cell_length_b   14.46461994
_cell_length_c   47.35923501
_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   9428.72336818
_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  0.692784  0.028054  0.340354  1
  Al  Al2  1  0.026541  0.694299  0.340354  1
  Al  Al3  1  0.066692  0.068196  0.318230  1
  Al  Al4  1  0.439309  0.106938  0.298156  1
  Al  Al5  1  0.773730  0.775242  0.298082  1
  Al  Al6  1  0.105427  0.440822  0.298156  1
  Al  Al7  1  0.474641  0.476185  0.283377  1
  Al  Al8  1  0.399151  0.732206  0.316798  1
  Al  Al9  1  0.730708  0.400656  0.316800  1
  Al  Al10  1  0.899151  0.232206  0.316798  1
  Al  Al11  1  0.230708  0.900656  0.316800  1
  Al  Al12  1  0.273730  0.275242  0.298082  1
  Al  Al13  1  0.526541  0.194299  0.340354  1
  Al  Al14  1  0.974641  0.976185  0.283377  1
  Al  Al15  1  0.192784  0.528054  0.340354  1
  Al  Al16  1  0.566692  0.568196  0.318230  1
  Al  Al17  1  0.605427  0.940822  0.298156  1
  Al  Al18  1  0.939309  0.606938  0.298156  1
  Al  Al19  1  0.713903  0.215411  0.327397  1
  Al  Al20  1  0.048979  0.878429  0.330283  1
  Al  Al21  1  0.086018  0.253797  0.307836  1
  Al  Al22  1  0.460895  0.292806  0.289567  1
  Al  Al23  1  0.791283  0.962419  0.289567  1
  Al  Al24  1  0.125214  0.626739  0.290250  1
  Al  Al25  1  0.376914  0.550485  0.330288  1
  Al  Al26  1  0.418724  0.920227  0.308037  1
  Al  Al27  1  0.752293  0.587527  0.307836  1
  Al  Al28  1  0.876914  0.050485  0.330288  1
  Al  Al29  1  0.213903  0.715411  0.327397  1
  Al  Al30  1  0.252293  0.087527  0.307836  1
  Al  Al31  1  0.625214  0.126739  0.290250  1
  Al  Al32  1  0.960895  0.792806  0.289567  1
  Al  Al33  1  0.291283  0.462419  0.289567  1
  Al  Al34  1  0.548979  0.378429  0.330283  1
  Al  Al35  1  0.586018  0.753797  0.307836  1
  Al  Al36  1  0.918724  0.420227  0.308037  1
  Al  Al37  1  0.575402  0.910168  0.401654  1
  Al  Al38  1  0.908666  0.576905  0.401655  1
  Al  Al39  1  0.948882  0.950380  0.381119  1
  Al  Al40  1  0.320446  0.988668  0.359332  1
  Al  Al41  1  0.654724  0.656228  0.359806  1
  Al  Al42  1  0.987163  0.321947  0.359332  1
  Al  Al43  1  0.360227  0.361737  0.340003  1
  Al  Al44  1  0.281115  0.617898  0.381274  1
  Al  Al45  1  0.616398  0.282616  0.381273  1
  Al  Al46  1  0.781115  0.117898  0.381274  1
  Al  Al47  1  0.116398  0.782616  0.381273  1
  Al  Al48  1  0.154724  0.156228  0.359806  1
  Al  Al49  1  0.408666  0.076905  0.401655  1
  Al  Al50  1  0.860227  0.861737  0.340003  1
  Al  Al51  1  0.075402  0.410168  0.401654  1
  Al  Al52  1  0.448882  0.450380  0.381119  1
  Al  Al53  1  0.487163  0.821947  0.359332  1
  Al  Al54  1  0.820446  0.488668  0.359332  1
  Al  Al55  1  0.595163  0.096672  0.391902  1
  Al  Al56  1  0.928657  0.763625  0.391819  1
  Al  Al57  1  0.968593  0.137033  0.370173  1
  Al  Al58  1  0.340356  0.175228  0.349502  1
  Al  Al59  1  0.673721  0.841864  0.349502  1
  Al  Al60  1  0.006745  0.508252  0.349564  1
  Al  Al61  1  0.262118  0.430166  0.391819  1
  Al  Al62  1  0.301687  0.803187  0.369555  1
  Al  Al63  1  0.635533  0.470095  0.370173  1
  Al  Al64  1  0.762118  0.930166  0.391819  1
  Al  Al65  1  0.095163  0.596672  0.391902  1
  Al  Al66  1  0.135533  0.970095  0.370173  1
  Al  Al67  1  0.506745  0.008252  0.349564  1
  Al  Al68  1  0.840356  0.675228  0.349502  1
  Al  Al69  1  0.173721  0.341864  0.349502  1
  Al  Al70  1  0.428657  0.263625  0.391819  1
  Al  Al71  1  0.468593  0.637033  0.370173  1
  Al  Al72  1  0.801687  0.303187  0.369555  1
  Al  Al73  1  0.457594  0.792520  0.464471  1
  Al  Al74  1  0.791027  0.459090  0.464471  1
  Al  Al75  1  0.830382  0.831879  0.443905  1
  Al  Al76  1  0.203351  0.871289  0.422587  1
  Al  Al77  1  0.536554  0.538053  0.422641  1
  Al  Al78  1  0.869790  0.204846  0.422588  1
  Al  Al79  1  0.242355  0.243859  0.401795  1
  Al  Al80  1  0.163617  0.498366  0.443863  1
  Al  Al81  1  0.496871  0.165113  0.443863  1
  Al  Al82  1  0.663617  0.998366  0.443863  1
  Al  Al83  1  0.996871  0.665113  0.443863  1
  Al  Al84  1  0.036554  0.038053  0.422641  1
  Al  Al85  1  0.291027  0.959090  0.464471  1
  Al  Al86  1  0.742355  0.743859  0.401795  1
  Al  Al87  1  0.957594  0.292520  0.464471  1
  Al  Al88  1  0.330382  0.331879  0.443905  1
  Al  Al89  1  0.369790  0.704846  0.422588  1
  Al  Al90  1  0.703351  0.371289  0.422587  1
  Al  Al91  1  0.477189  0.978685  0.453969  1
  Al  Al92  1  0.810642  0.645427  0.454047  1
  Al  Al93  1  0.850155  0.018398  0.433349  1
  Al  Al94  1  0.222801  0.057524  0.412088  1
  Al  Al95  1  0.556024  0.724302  0.412089  1
  Al  Al96  1  0.889200  0.390699  0.411866  1
  Al  Al97  1  0.143930  0.312139  0.454048  1
  Al  Al98  1  0.183440  0.684936  0.433572  1
  Al  Al99  1  0.516904  0.351649  0.433349  1
  Al  Al100  1  0.643930  0.812139  0.454048  1
  Al  Al101  1  0.977189  0.478685  0.453969  1
  Al  Al102  1  0.016904  0.851649  0.433349  1
  Al  Al103  1  0.389200  0.890699  0.411866  1
  Al  Al104  1  0.722801  0.557524  0.412088  1
  Al  Al105  1  0.056024  0.224302  0.412089  1
  Al  Al106  1  0.310642  0.145427  0.454047  1
  Al  Al107  1  0.350155  0.518398  0.433349  1
  Al  Al108  1  0.683440  0.184936  0.433572  1
  Al  Al109  1  0.339658  0.674404  0.527495  1
  Al  Al110  1  0.672917  0.341146  0.527495  1
  Al  Al111  1  0.712293  0.713786  0.506279  1
  Al  Al112  1  0.084987  0.753268  0.485689  1
  Al  Al113  1  0.418433  0.419924  0.485659  1
  Al  Al114  1  0.751776  0.086477  0.485689  1
  Al  Al115  1  0.124327  0.125822  0.464491  1
  Al  Al116  1  0.045527  0.380461  0.506297  1
  Al  Al117  1  0.378970  0.047020  0.506297  1
  Al  Al118  1  0.545527  0.880461  0.506297  1
  Al  Al119  1  0.878970  0.547020  0.506297  1
  Al  Al120  1  0.918433  0.919924  0.485659  1
  Al  Al121  1  0.172917  0.841146  0.527495  1
  Al  Al122  1  0.624327  0.625822  0.464491  1
  Al  Al123  1  0.839658  0.174404  0.527495  1
  Al  Al124  1  0.212293  0.213786  0.506279  1
  Al  Al125  1  0.251776  0.586477  0.485689  1
  Al  Al126  1  0.584987  0.253268  0.485689  1
  Al  Al127  1  0.359222  0.860710  0.516921  1
  Al  Al128  1  0.692537  0.527366  0.516874  1
  Al  Al129  1  0.732019  0.900169  0.496062  1
  Al  Al130  1  0.104765  0.939547  0.475056  1
  Al  Al131  1  0.438053  0.606258  0.475056  1
  Al  Al132  1  0.771423  0.272918  0.475102  1
  Al  Al133  1  0.025878  0.194024  0.516874  1
  Al  Al134  1  0.065293  0.566784  0.496014  1
  Al  Al135  1  0.398678  0.233510  0.496062  1
  Al  Al136  1  0.525878  0.694024  0.516874  1
  Al  Al137  1  0.859222  0.360710  0.516921  1
  Al  Al138  1  0.898678  0.733510  0.496062  1
  Al  Al139  1  0.271423  0.772918  0.475102  1
  Al  Al140  1  0.604765  0.439547  0.475056  1
  Al  Al141  1  0.938053  0.106258  0.475056  1
  Al  Al142  1  0.192537  0.027366  0.516874  1
  Al  Al143  1  0.232019  0.400169  0.496062  1
  Al  Al144  1  0.565293  0.066784  0.496014  1
  Al  Al145  1  0.221658  0.556558  0.590306  1
  Al  Al146  1  0.555076  0.223142  0.590307  1
  Al  Al147  1  0.594018  0.595504  0.569328  1
  Al  Al148  1  0.967032  0.635123  0.548221  1
  Al  Al149  1  0.300472  0.301959  0.548277  1
  Al  Al150  1  0.633636  0.968514  0.548220  1
  Al  Al151  1  0.006293  0.007780  0.527487  1
  Al  Al152  1  0.927477  0.262088  0.569333  1
  Al  Al153  1  0.260604  0.928963  0.569333  1
  Al  Al154  1  0.427477  0.762088  0.569333  1
  Al  Al155  1  0.760604  0.428963  0.569333  1
  Al  Al156  1  0.800472  0.801959  0.548277  1
  Al  Al157  1  0.055076  0.723142  0.590307  1
  Al  Al158  1  0.506293  0.507780  0.527487  1
  Al  Al159  1  0.721658  0.056558  0.590306  1
  Al  Al160  1  0.094018  0.095504  0.569328  1
  Al  Al161  1  0.133636  0.468514  0.548220  1
  Al  Al162  1  0.467032  0.135123  0.548221  1
  Al  Al163  1  0.241185  0.742669  0.579875  1
  Al  Al164  1  0.574574  0.409502  0.580026  1
  Al  Al165  1  0.613932  0.782025  0.558405  1
  Al  Al166  1  0.986718  0.821586  0.538015  1
  Al  Al167  1  0.320100  0.488204  0.538014  1
  Al  Al168  1  0.653331  0.154818  0.537954  1
  Al  Al169  1  0.908018  0.076057  0.580026  1
  Al  Al170  1  0.947174  0.448659  0.558594  1
  Al  Al171  1  0.280543  0.115416  0.558405  1
  Al  Al172  1  0.408018  0.576057  0.580026  1
  Al  Al173  1  0.741185  0.242669  0.579875  1
  Al  Al174  1  0.780543  0.615416  0.558405  1
  Al  Al175  1  0.153331  0.654818  0.537954  1
  Al  Al176  1  0.486718  0.321586  0.538015  1
  Al  Al177  1  0.820100  0.988204  0.538014  1
  Al  Al178  1  0.074574  0.909502  0.580026  1
  Al  Al179  1  0.113932  0.282025  0.558405  1
  Al  Al180  1  0.447174  0.948659  0.558594  1
  Al  Al181  1  0.104090  0.438778  0.652334  1
  Al  Al182  1  0.437306  0.105565  0.652334  1
  Al  Al183  1  0.477004  0.478485  0.632896  1
  Al  Al184  1  0.847857  0.517648  0.610511  1
  Al  Al185  1  0.182076  0.183551  0.610365  1
  Al  Al186  1  0.516168  0.849338  0.610510  1
  Al  Al187  1  0.888717  0.890201  0.590454  1
  Al  Al188  1  0.809304  0.144130  0.632352  1
  Al  Al189  1  0.142653  0.810784  0.632352  1
  Al  Al190  1  0.309304  0.644130  0.632352  1
  Al  Al191  1  0.642653  0.310784  0.632352  1
  Al  Al192  1  0.682076  0.683551  0.610365  1
  Al  Al193  1  0.937306  0.605565  0.652334  1
  Al  Al194  1  0.388717  0.390201  0.590454  1
  Al  Al195  1  0.604090  0.938778  0.652334  1
  Al  Al196  1  0.977004  0.978485  0.632896  1
  Al  Al197  1  0.016168  0.349338  0.610510  1
  Al  Al198  1  0.347857  0.017648  0.610511  1
  Al  Al199  1  0.123623  0.625098  0.642692  1
  Al  Al200  1  0.457039  0.291997  0.642585  1
  Al  Al201  1  0.495535  0.663223  0.622137  1
  Al  Al202  1  0.868852  0.703617  0.600361  1
  Al  Al203  1  0.202135  0.370331  0.600361  1
  Al  Al204  1  0.535323  0.036803  0.600408  1
  Al  Al205  1  0.790519  0.958515  0.642585  1
  Al  Al206  1  0.828544  0.330026  0.621725  1
  Al  Al207  1  0.161741  0.997017  0.622137  1
  Al  Al208  1  0.290519  0.458515  0.642585  1
  Al  Al209  1  0.623623  0.125098  0.642692  1
  Al  Al210  1  0.661741  0.497017  0.622137  1
  Al  Al211  1  0.035323  0.536803  0.600408  1
  Al  Al212  1  0.368852  0.203617  0.600361  1
  Al  Al213  1  0.702135  0.870331  0.600361  1
  Al  Al214  1  0.957039  0.791997  0.642585  1
  Al  Al215  1  0.995535  0.163223  0.622137  1
  Al  Al216  1  0.328544  0.830026  0.621725  1
  Al  Al217  1  0.985459  0.325565  0.710149  1
  Al  Al218  1  0.324109  0.986918  0.710150  1
  Al  Al219  1  0.358199  0.359673  0.694009  1
  Al  Al220  1  0.731095  0.398370  0.674196  1
  Al  Al221  1  0.066693  0.068170  0.676175  1
  Al  Al222  1  0.396894  0.732569  0.674195  1
  Al  Al223  1  0.770938  0.772410  0.652076  1
  Al  Al224  1  0.692155  0.025333  0.694041  1
  Al  Al225  1  0.023863  0.693630  0.694040  1
  Al  Al226  1  0.192155  0.525333  0.694041  1
  Al  Al227  1  0.523863  0.193630  0.694040  1
  Al  Al228  1  0.566693  0.568170  0.676175  1
  Al  Al229  1  0.824109  0.486918  0.710150  1
  Al  Al230  1  0.270938  0.272410  0.652076  1
  Al  Al231  1  0.485459  0.825565  0.710149  1
  Al  Al232  1  0.858199  0.859673  0.694009  1
  Al  Al233  1  0.896894  0.232569  0.674195  1
  Al  Al234  1  0.231095  0.898370  0.674196  1
  Al  Al235  1  0.006467  0.507937  0.703714  1
  Al  Al236  1  0.336020  0.172799  0.702943  1
  Al  Al237  1  0.378792  0.546651  0.684272  1
  Al  Al238  1  0.749038  0.587202  0.662524  1
  Al  Al239  1  0.085729  0.250516  0.662522  1
  Al  Al240  1  0.418267  0.919739  0.660767  1
  Al  Al241  1  0.671328  0.837484  0.702943  1
  Al  Al242  1  0.711595  0.213070  0.684525  1
  Al  Al243  1  0.045176  0.880268  0.684272  1
  Al  Al244  1  0.171328  0.337484  0.702943  1
  Al  Al245  1  0.506467  0.007937  0.703714  1
  Al  Al246  1  0.545176  0.380268  0.684272  1
  Al  Al247  1  0.918267  0.419739  0.660767  1
  Al  Al248  1  0.249038  0.087202  0.662524  1
  Al  Al249  1  0.585729  0.750516  0.662522  1
  Al  Al250  1  0.836020  0.672799  0.702943  1
  Al  Al251  1  0.878792  0.046651  0.684272  1
  Al  Al252  1  0.211595  0.713070  0.684525  1
