# generated using pymatgen
data_Mg13Al14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.74294469
_cell_length_b   15.60416418
_cell_length_c   51.73062007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.10144225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg13Al14
_chemical_formula_sum   'Mg104 Al112'
_cell_volume   9389.55467046
_cell_formula_units_Z   8
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
  Mg  Mg1  1  0.198892  0.900053  0.336519  1
  Mg  Mg2  1  0.073485  0.309834  0.293943  1
  Mg  Mg3  1  0.968564  0.102611  0.311835  1
  Mg  Mg4  1  0.897139  0.968027  0.387505  1
  Mg  Mg5  1  0.534190  0.234238  0.333254  1
  Mg  Mg6  1  0.433970  0.369509  0.352488  1
  Mg  Mg7  1  0.967230  0.437807  0.313132  1
  Mg  Mg8  1  0.434593  0.703130  0.352122  1
  Mg  Mg9  1  0.568228  0.968154  0.387587  1
  Mg  Mg10  1  0.630220  0.100700  0.311986  1
  Mg  Mg11  1  0.484765  0.824524  0.276768  1
  Mg  Mg12  1  0.568746  0.300689  0.388247  1
  Mg  Mg13  1  0.530481  0.901981  0.332313  1
  Mg  Mg14  1  0.503407  0.501795  0.276849  1
  Mg  Mg15  1  0.765483  0.704331  0.352593  1
  Mg  Mg16  1  0.664361  0.500460  0.370647  1
  Mg  Mg17  1  0.194543  0.565919  0.332708  1
  Mg  Mg18  1  0.839063  0.824511  0.276401  1
  Mg  Mg19  1  0.730969  0.963603  0.293317  1
  Mg  Mg20  1  0.665326  0.834805  0.369667  1
  Mg  Mg21  1  0.733043  0.304720  0.293516  1
  Mg  Mg22  1  0.868758  0.567986  0.333780  1
  Mg  Mg23  1  0.333026  0.500308  0.370501  1
  Mg  Mg24  1  0.199639  0.234583  0.332906  1
  Mg  Mg25  1  0.867659  0.901973  0.332192  1
  Mg  Mg26  1  0.829709  0.517094  0.276473  1
  Mg  Mg27  1  0.599183  0.701098  0.444687  1
  Mg  Mg28  1  0.466366  0.102926  0.406938  1
  Mg  Mg29  1  0.365635  0.901292  0.425959  1
  Mg  Mg30  1  0.298296  0.767945  0.499689  1
  Mg  Mg31  1  0.931225  0.034569  0.444378  1
  Mg  Mg32  1  0.832775  0.167927  0.462462  1
  Mg  Mg33  1  0.366030  0.234339  0.425828  1
  Mg  Mg34  1  0.834111  0.501637  0.462711  1
  Mg  Mg35  1  0.967146  0.767972  0.499759  1
  Mg  Mg36  1  0.033141  0.901355  0.426006  1
  Mg  Mg37  1  0.899816  0.634406  0.389203  1
  Mg  Mg38  1  0.967422  0.100977  0.500110  1
  Mg  Mg39  1  0.931178  0.701437  0.444321  1
  Mg  Mg40  1  0.899245  0.300502  0.388495  1
  Mg  Mg41  1  0.164994  0.501566  0.462737  1
  Mg  Mg42  1  0.063846  0.299766  0.481611  1
  Mg  Mg43  1  0.597838  0.367318  0.443989  1
  Mg  Mg44  1  0.231600  0.633634  0.388766  1
  Mg  Mg45  1  0.133508  0.769391  0.406811  1
  Mg  Mg46  1  0.065666  0.633788  0.481661  1
  Mg  Mg47  1  0.134139  0.102918  0.406935  1
  Mg  Mg48  1  0.266869  0.367220  0.443992  1
  Mg  Mg49  1  0.733414  0.299773  0.481579  1
  Mg  Mg50  1  0.600964  0.034630  0.444397  1
  Mg  Mg51  1  0.267569  0.701200  0.444171  1
  Mg  Mg52  1  0.229925  0.300486  0.388132  1
  Mg  Mg53  1  0.999196  0.500712  0.555508  1
  Mg  Mg54  1  0.864972  0.902212  0.518652  1
  Mg  Mg55  1  0.764283  0.700266  0.537517  1
  Mg  Mg56  1  0.698841  0.567596  0.610973  1
  Mg  Mg57  1  0.331756  0.834681  0.556197  1
  Mg  Mg58  1  0.232406  0.967589  0.574414  1
  Mg  Mg59  1  0.765710  0.034096  0.537746  1
  Mg  Mg60  1  0.232867  0.300639  0.574320  1
  Mg  Mg61  1  0.366653  0.568298  0.611557  1
  Mg  Mg62  1  0.433433  0.700287  0.537457  1
  Mg  Mg63  1  0.300187  0.433974  0.500522  1
  Mg  Mg64  1  0.368842  0.901364  0.611948  1
  Mg  Mg65  1  0.330839  0.500691  0.556066  1
  Mg  Mg66  1  0.299275  0.101002  0.500153  1
  Mg  Mg67  1  0.565274  0.300673  0.574342  1
  Mg  Mg68  1  0.464282  0.099069  0.593373  1
  Mg  Mg69  1  0.997508  0.167327  0.555852  1
  Mg  Mg70  1  0.631270  0.433934  0.500455  1
  Mg  Mg71  1  0.532735  0.568055  0.518511  1
  Mg  Mg72  1  0.464946  0.432695  0.593444  1
  Mg  Mg73  1  0.534706  0.902175  0.518596  1
  Mg  Mg74  1  0.667230  0.167392  0.555885  1
  Mg  Mg75  1  0.132229  0.099145  0.593337  1
  Mg  Mg76  1  1.000462  0.834631  0.556201  1
  Mg  Mg77  1  0.667244  0.500428  0.555882  1
  Mg  Mg78  1  0.631052  0.101027  0.500120  1
  Mg  Mg79  1  0.400792  0.302880  0.664042  1
  Mg  Mg80  1  0.264955  0.701479  0.629508  1
  Mg  Mg81  1  0.163296  0.498483  0.647888  1
  Mg  Mg82  1  0.113106  0.377929  0.723024  1
  Mg  Mg83  1  0.731168  0.633636  0.666255  1
  Mg  Mg84  1  0.630545  0.763107  0.686760  1
  Mg  Mg85  1  0.164517  0.832947  0.646916  1
  Mg  Mg86  1  0.629441  0.098935  0.688334  1
  Mg  Mg87  1  0.761407  0.378973  0.723515  1
  Mg  Mg88  1  0.833278  0.497909  0.647739  1
  Mg  Mg89  1  0.701192  0.233957  0.612786  1
  Mg  Mg90  1  0.764462  0.680486  0.722744  1
  Mg  Mg91  1  0.730281  0.300061  0.668029  1
  Mg  Mg92  1  0.699366  0.901188  0.611849  1
  Mg  Mg93  1  0.967749  0.100378  0.688291  1
  Mg  Mg94  1  0.864516  0.895138  0.706392  1
  Mg  Mg95  1  0.398587  0.967081  0.667092  1
  Mg  Mg96  1  0.030353  0.233811  0.612718  1
  Mg  Mg97  1  0.932837  0.367164  0.630544  1
  Mg  Mg98  1  0.867336  0.238330  0.706755  1
  Mg  Mg99  1  0.934388  0.701494  0.629496  1
  Mg  Mg100  1  0.064402  0.967162  0.666947  1
  Mg  Mg101  1  0.524775  0.891167  0.705746  1
  Mg  Mg102  1  0.402106  0.635669  0.667609  1
  Mg  Mg103  1  0.067449  0.299506  0.667839  1
  Mg  Mg104  1  0.029223  0.901301  0.611879  1
  Al  Al105  1  0.300261  0.101517  0.315660  1
  Al  Al106  1  0.432418  0.036090  0.351953  1
  Al  Al107  1  0.234406  0.971353  0.389188  1
  Al  Al108  1  0.403674  0.303240  0.299537  1
  Al  Al109  1  0.866665  0.236022  0.332706  1
  Al  Al110  1  0.397812  0.630181  0.299603  1
  Al  Al111  1  0.668299  0.166910  0.369243  1
  Al  Al112  1  0.331979  0.166116  0.369637  1
  Al  Al113  1  0.073839  0.963524  0.299894  1
  Al  Al114  1  0.334775  0.834391  0.370617  1
  Al  Al115  1  0.385154  0.961755  0.299547  1
  Al  Al116  1  0.997511  0.835053  0.370705  1
  Al  Al117  1  0.067985  0.641546  0.298400  1
  Al  Al118  1  0.295403  0.765157  0.316737  1
  Al  Al119  1  0.998692  0.499981  0.370605  1
  Al  Al120  1  0.728438  0.635668  0.300247  1
  Al  Al121  1  0.533882  0.570131  0.333962  1
  Al  Al122  1  0.099137  0.700473  0.352345  1
  Al  Al123  1  0.158978  0.827727  0.283892  1
  Al  Al124  1  0.101216  0.036527  0.351949  1
  Al  Al125  1  0.966573  0.765665  0.317253  1
  Al  Al126  1  0.629416  0.765070  0.314296  1
  Al  Al127  1  0.768461  0.368655  0.351254  1
  Al  Al128  1  0.634328  0.436204  0.316015  1
  Al  Al129  1  0.098491  0.368219  0.351404  1
  Al  Al130  1  0.303233  0.436096  0.316004  1
  Al  Al131  1  0.767975  0.038552  0.350263  1
  Al  Al132  1  0.996836  0.166995  0.369100  1
  Al  Al133  1  0.699297  0.901288  0.425722  1
  Al  Al134  1  0.831581  0.835569  0.463139  1
  Al  Al135  1  0.633197  0.768872  0.499960  1
  Al  Al136  1  0.799427  0.100863  0.406325  1
  Al  Al137  1  0.265933  0.034335  0.444787  1
  Al  Al138  1  0.800479  0.434257  0.407275  1
  Al  Al139  1  0.066958  0.967395  0.481438  1
  Al  Al140  1  0.731499  0.965500  0.481092  1
  Al  Al141  1  0.467227  0.768261  0.407396  1
  Al  Al142  1  0.732677  0.634349  0.481638  1
  Al  Al143  1  0.798306  0.768755  0.407562  1
  Al  Al144  1  0.399052  0.634301  0.481597  1
  Al  Al145  1  0.466947  0.436974  0.407865  1
  Al  Al146  1  0.697246  0.567038  0.425938  1
  Al  Al147  1  0.399104  0.300751  0.481921  1
  Al  Al148  1  0.131402  0.434166  0.407261  1
  Al  Al149  1  0.932956  0.368357  0.444051  1
  Al  Al150  1  0.499075  0.500918  0.462873  1
  Al  Al151  1  0.565192  0.633873  0.389160  1
  Al  Al152  1  0.501316  0.835441  0.463050  1
  Al  Al153  1  0.366883  0.566913  0.425863  1
  Al  Al154  1  0.031351  0.565010  0.425376  1
  Al  Al155  1  0.166110  0.167776  0.462897  1
  Al  Al156  1  0.032141  0.234050  0.425529  1
  Al  Al157  1  0.499239  0.167792  0.462900  1
  Al  Al158  1  0.699701  0.234092  0.425531  1
  Al  Al159  1  0.167295  0.837136  0.463134  1
  Al  Al160  1  0.397953  0.967399  0.481417  1
  Al  Al161  1  0.099356  0.700913  0.537260  1
  Al  Al162  1  0.231495  0.634915  0.574311  1
  Al  Al163  1  0.032983  0.567974  0.610980  1
  Al  Al164  1  0.199380  0.901209  0.518305  1
  Al  Al165  1  0.665513  0.833601  0.556195  1
  Al  Al166  1  0.200536  0.234582  0.518840  1
  Al  Al167  1  0.467101  0.767590  0.592948  1
  Al  Al168  1  0.131401  0.764831  0.592088  1
  Al  Al169  1  0.865754  0.567558  0.518579  1
  Al  Al170  1  0.131116  0.433502  0.592794  1
  Al  Al171  1  0.199361  0.567550  0.518589  1
  Al  Al172  1  0.800120  0.433265  0.592711  1
  Al  Al173  1  0.866946  0.236435  0.519132  1
  Al  Al174  1  0.097121  0.366399  0.537157  1
  Al  Al175  1  0.799117  0.101051  0.593934  1
  Al  Al176  1  0.531546  0.234608  0.518843  1
  Al  Al177  1  0.332618  0.167691  0.555513  1
  Al  Al178  1  0.899123  0.300549  0.574530  1
  Al  Al179  1  0.965214  0.432999  0.500267  1
  Al  Al180  1  0.901235  0.634906  0.574272  1
  Al  Al181  1  0.766810  0.366319  0.537124  1
  Al  Al182  1  0.431143  0.364773  0.537114  1
  Al  Al183  1  0.566642  0.967916  0.574696  1
  Al  Al184  1  0.432464  0.034188  0.537372  1
  Al  Al185  1  0.898580  0.967947  0.574693  1
  Al  Al186  1  0.099203  0.034216  0.537360  1
  Al  Al187  1  0.566969  0.636763  0.574807  1
  Al  Al188  1  0.797858  0.767569  0.592966  1
  Al  Al189  1  0.499787  0.501876  0.647938  1
  Al  Al190  1  0.634226  0.438464  0.683581  1
  Al  Al191  1  0.438607  0.374450  0.716450  1
  Al  Al192  1  0.599513  0.701622  0.629645  1
  Al  Al193  1  0.065186  0.632616  0.665608  1
  Al  Al194  1  0.601546  0.034805  0.631087  1
  Al  Al195  1  0.877794  0.569296  0.699836  1
  Al  Al196  1  0.529094  0.560080  0.701536  1
  Al  Al197  1  0.263900  0.367434  0.629708  1
  Al  Al198  1  0.524975  0.238806  0.700516  1
  Al  Al199  1  0.601196  0.367475  0.629699  1
  Al  Al200  1  0.212893  0.239939  0.700620  1
  Al  Al201  1  0.266537  0.036031  0.630597  1
  Al  Al202  1  0.497051  0.165676  0.648415  1
  Al  Al203  1  0.193804  0.895470  0.699930  1
  Al  Al204  1  0.930374  0.035007  0.631039  1
  Al  Al205  1  0.731642  0.965439  0.667486  1
  Al  Al206  1  0.298082  0.099479  0.684779  1
  Al  Al207  1  0.364259  0.230939  0.611241  1
  Al  Al208  1  0.301854  0.436951  0.683441  1
  Al  Al209  1  0.166540  0.165752  0.648401  1
  Al  Al210  1  0.830182  0.163145  0.649964  1
  Al  Al211  1  0.965932  0.764608  0.684168  1
  Al  Al212  1  0.830803  0.832653  0.649078  1
  Al  Al213  1  0.293327  0.765534  0.683608  1
  Al  Al214  1  0.499053  0.833096  0.648742  1
  Al  Al215  1  0.968569  0.436559  0.685489  1
  Al  Al216  1  0.195575  0.572526  0.699990  1
