# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.55072243
_cell_length_b   17.83441128
_cell_length_c   54.21806931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg41Al67
_chemical_formula_sum   'Mg123 Al201'
_cell_volume   12135.8877533
_cell_formula_units_Z   3
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  0.166511  0.880314  0.255638  1
  Mg  Mg2  1  0.346296  0.634385  0.339873  1
  Mg  Mg3  1  0.666964  0.974533  0.395290  1
  Mg  Mg4  1  0.679181  0.471743  0.284804  1
  Mg  Mg5  1  0.005808  0.806897  0.396113  1
  Mg  Mg6  1  0.666805  0.806683  0.339835  1
  Mg  Mg7  1  0.343390  0.135968  0.340364  1
  Mg  Mg8  1  0.344329  0.467278  0.395576  1
  Mg  Mg9  1  0.178634  0.053549  0.254681  1
  Mg  Mg10  1  0.344812  0.806683  0.339835  1
  Mg  Mg11  1  0.192443  0.228002  0.254703  1
  Mg  Mg12  1  0.172499  0.720773  0.314153  1
  Mg  Mg13  1  0.848230  0.553612  0.255872  1
  Mg  Mg14  1  0.841661  0.222337  0.311643  1
  Mg  Mg15  1  0.845106  0.880314  0.255638  1
  Mg  Mg16  1  1.005808  0.972444  0.340308  1
  Mg  Mg17  1  0.667288  0.467278  0.395576  1
  Mg  Mg18  1  0.344653  0.974533  0.395290  1
  Mg  Mg19  1  0.832983  0.053549  0.254681  1
  Mg  Mg20  1  0.668227  0.135968  0.340364  1
  Mg  Mg21  1  0.169956  0.222337  0.311643  1
  Mg  Mg22  1  0.839118  0.720773  0.314153  1
  Mg  Mg23  1  0.665321  0.634385  0.339873  1
  Mg  Mg24  1  0.176362  0.720899  0.368506  1
  Mg  Mg25  1  0.005808  0.314714  0.281372  1
  Mg  Mg26  1  0.667293  0.305601  0.341030  1
  Mg  Mg27  1  0.673359  0.965904  0.285535  1
  Mg  Mg28  1  0.505808  0.220941  0.254150  1
  Mg  Mg29  1  0.175316  0.891128  0.424080  1
  Mg  Mg30  1  0.163387  0.553612  0.255872  1
  Mg  Mg31  1  0.005808  0.139647  0.282120  1
  Mg  Mg32  1  0.836301  0.891128  0.424080  1
  Mg  Mg33  1  0.005808  0.634849  0.396223  1
  Mg  Mg34  1  0.838498  0.220490  0.368939  1
  Mg  Mg35  1  0.173119  0.220490  0.368939  1
  Mg  Mg36  1  0.344324  0.305601  0.341030  1
  Mg  Mg37  1  1.005808  0.470220  0.341611  1
  Mg  Mg38  1  0.338258  0.965904  0.285535  1
  Mg  Mg39  1  0.332436  0.471743  0.284804  1
  Mg  Mg40  1  0.819174  0.228002  0.254703  1
  Mg  Mg41  1  0.835255  0.720899  0.368506  1
  Mg  Mg42  1  0.172968  0.382378  0.424211  1
  Mg  Mg43  1  0.343979  0.135916  0.506871  1
  Mg  Mg44  1  0.667113  0.473989  0.562798  1
  Mg  Mg45  1  0.667331  0.974265  0.452578  1
  Mg  Mg46  1  1.005808  0.307163  0.562741  1
  Mg  Mg47  1  0.667585  0.306349  0.506990  1
  Mg  Mg48  1  0.344295  0.635796  0.508241  1
  Mg  Mg49  1  0.344461  0.968113  0.562601  1
  Mg  Mg50  1  0.175412  0.551040  0.424405  1
  Mg  Mg51  1  0.344032  0.306349  0.506990  1
  Mg  Mg52  1  0.177951  0.721104  0.424461  1
  Mg  Mg53  1  0.172573  0.221077  0.478212  1
  Mg  Mg54  1  0.838573  0.059352  0.423733  1
  Mg  Mg55  1  0.836027  0.721197  0.480704  1
  Mg  Mg56  1  0.838649  0.382378  0.424211  1
  Mg  Mg57  1  0.005808  0.471065  0.507819  1
  Mg  Mg58  1  0.667156  0.968113  0.562601  1
  Mg  Mg59  1  0.344504  0.473989  0.562798  1
  Mg  Mg60  1  0.836205  0.551040  0.424405  1
  Mg  Mg61  1  0.667322  0.635796  0.508241  1
  Mg  Mg62  1  0.175590  0.721197  0.480704  1
  Mg  Mg63  1  0.839044  0.221077  0.478212  1
  Mg  Mg64  1  0.667638  0.135916  0.506871  1
  Mg  Mg65  1  0.175207  0.221153  0.534943  1
  Mg  Mg66  1  0.005808  0.807210  0.452886  1
  Mg  Mg67  1  0.667333  0.806601  0.508140  1
  Mg  Mg68  1  0.667226  0.467844  0.452787  1
  Mg  Mg69  1  0.505808  0.721115  0.424084  1
  Mg  Mg70  1  0.174925  0.390870  0.591424  1
  Mg  Mg71  1  0.173044  0.059352  0.423733  1
  Mg  Mg72  1  0.005808  0.635125  0.453006  1
  Mg  Mg73  1  0.836692  0.390870  0.591424  1
  Mg  Mg74  1  1.005808  0.135023  0.562698  1
  Mg  Mg75  1  0.838575  0.721141  0.537320  1
  Mg  Mg76  1  0.173042  0.721141  0.537320  1
  Mg  Mg77  1  0.344284  0.806601  0.508140  1
  Mg  Mg78  1  0.005808  0.971129  0.507577  1
  Mg  Mg79  1  0.344391  0.467844  0.452787  1
  Mg  Mg80  1  0.344286  0.974265  0.452578  1
  Mg  Mg81  1  0.833666  0.721104  0.424461  1
  Mg  Mg82  1  0.836410  0.221153  0.534943  1
  Mg  Mg83  1  0.172745  0.882451  0.591021  1
  Mg  Mg84  1  0.341572  0.635775  0.673106  1
  Mg  Mg85  1  0.649126  0.974862  0.731096  1
  Mg  Mg86  1  0.668519  0.474463  0.620124  1
  Mg  Mg87  1  0.005808  0.804220  0.732207  1
  Mg  Mg88  1  0.670315  0.805034  0.672944  1
  Mg  Mg89  1  0.341705  0.134893  0.673683  1
  Mg  Mg90  1  0.350371  0.472071  0.732131  1
  Mg  Mg91  1  0.174961  0.051122  0.591290  1
  Mg  Mg92  1  0.341302  0.805034  0.672944  1
  Mg  Mg93  1  0.177321  0.221059  0.591407  1
  Mg  Mg94  1  0.169953  0.720610  0.646958  1
  Mg  Mg95  1  0.838850  0.559228  0.591471  1
  Mg  Mg96  1  0.837726  0.220919  0.648500  1
  Mg  Mg97  1  0.838872  0.882451  0.591021  1
  Mg  Mg98  1  0.005808  0.971663  0.674789  1
  Mg  Mg99  1  0.661246  0.472071  0.732131  1
  Mg  Mg100  1  0.362491  0.974862  0.731096  1
  Mg  Mg101  1  0.836656  0.051122  0.591290  1
  Mg  Mg102  1  0.669912  0.134893  0.673683  1
  Mg  Mg103  1  0.173891  0.220919  0.648500  1
  Mg  Mg104  1  0.841664  0.720610  0.646958  1
  Mg  Mg105  1  0.670045  0.635775  0.673106  1
  Mg  Mg106  1  0.173232  0.720412  0.704200  1
  Mg  Mg107  1  0.005808  0.306681  0.619817  1
  Mg  Mg108  1  0.667472  0.307434  0.673993  1
  Mg  Mg109  1  0.668517  0.967383  0.619881  1
  Mg  Mg110  1  0.505808  0.221113  0.590813  1
  Mg  Mg111  1  0.179981  0.897976  0.755136  1
  Mg  Mg112  1  0.172767  0.559228  0.591471  1
  Mg  Mg113  1  0.005808  0.135298  0.619714  1
  Mg  Mg114  1  0.831636  0.897976  0.755136  1
  Mg  Mg115  1  1.005808  0.630935  0.733383  1
  Mg  Mg116  1  0.834980  0.219806  0.704534  1
  Mg  Mg117  1  0.176637  0.219806  0.704534  1
  Mg  Mg118  1  0.344145  0.307434  0.673993  1
  Mg  Mg119  1  0.005808  0.470926  0.674886  1
  Mg  Mg120  1  0.343100  0.967383  0.619881  1
  Mg  Mg121  1  0.343098  0.474463  0.620124  1
  Mg  Mg122  1  0.834296  0.221059  0.591407  1
  Mg  Mg123  1  0.838385  0.720412  0.704200  1
  Al  Al124  1  0.342562  0.301637  0.396626  1
  Al  Al125  1  0.505808  0.051935  0.261212  1
  Al  Al126  1  0.668859  0.139763  0.396344  1
  Al  Al127  1  0.505808  0.552286  0.368663  1
  Al  Al128  1  0.835560  0.552019  0.368267  1
  Al  Al129  1  0.668524  0.635678  0.395921  1
  Al  Al130  1  0.339447  0.470169  0.340603  1
  Al  Al131  1  1.005808  0.476628  0.287905  1
  Al  Al132  1  0.505808  0.889197  0.368312  1
  Al  Al133  1  0.505808  0.391056  0.314222  1
  Al  Al134  1  0.176057  0.552019  0.368267  1
  Al  Al135  1  0.172890  0.554492  0.313779  1
  Al  Al136  1  1.005808  0.805078  0.287525  1
  Al  Al137  1  1.005808  0.974983  0.395822  1
  Al  Al138  1  0.171915  0.887748  0.313063  1
  Al  Al139  1  0.505808  0.056238  0.368155  1
  Al  Al140  1  0.005808  0.138748  0.339700  1
  Al  Al141  1  0.164455  0.717095  0.261905  1
  Al  Al142  1  0.838727  0.554492  0.313779  1
  Al  Al143  1  0.672170  0.470169  0.340603  1
  Al  Al144  1  0.505808  0.220338  0.369071  1
  Al  Al145  1  0.173717  0.386170  0.368497  1
  Al  Al146  1  0.338340  0.638439  0.285490  1
  Al  Al147  1  0.173599  0.388099  0.313846  1
  Al  Al148  1  0.665659  0.305185  0.286823  1
  Al  Al149  1  0.343093  0.635678  0.395921  1
  Al  Al150  1  0.173385  0.055456  0.367804  1
  Al  Al151  1  0.667507  0.136306  0.285952  1
  Al  Al152  1  0.838018  0.388099  0.313846  1
  Al  Al153  1  0.343016  0.806309  0.395785  1
  Al  Al154  1  0.505808  0.221172  0.312465  1
  Al  Al155  1  0.505808  0.720363  0.260133  1
  Al  Al156  1  0.005808  0.303086  0.395803  1
  Al  Al157  1  0.673277  0.638439  0.285490  1
  Al  Al158  1  0.505808  0.881999  0.261129  1
  Al  Al159  1  0.345958  0.305185  0.286823  1
  Al  Al160  1  0.672520  0.800547  0.285407  1
  Al  Al161  1  1.005808  0.636525  0.287946  1
  Al  Al162  1  0.838595  0.054813  0.312200  1
  Al  Al163  1  0.836235  0.890179  0.367871  1
  Al  Al164  1  0.505808  0.385485  0.368710  1
  Al  Al165  1  0.505808  0.548662  0.313340  1
  Al  Al166  1  0.505808  0.720759  0.368500  1
  Al  Al167  1  0.344110  0.136306  0.285952  1
  Al  Al168  1  0.505808  0.390052  0.262076  1
  Al  Al169  1  0.173022  0.054813  0.312200  1
  Al  Al170  1  0.175382  0.890179  0.367871  1
  Al  Al171  1  0.668601  0.806309  0.395785  1
  Al  Al172  1  0.505808  0.558867  0.261845  1
  Al  Al173  1  1.005808  0.466929  0.396472  1
  Al  Al174  1  1.005808  0.805629  0.341061  1
  Al  Al175  1  0.005808  0.138203  0.395518  1
  Al  Al176  1  0.005808  0.303911  0.340581  1
  Al  Al177  1  1.005808  0.636663  0.341305  1
  Al  Al178  1  0.839702  0.887748  0.313063  1
  Al  Al179  1  0.505808  0.889137  0.313810  1
  Al  Al180  1  0.338751  0.971462  0.340311  1
  Al  Al181  1  0.837900  0.386170  0.368497  1
  Al  Al182  1  0.669055  0.301637  0.396626  1
  Al  Al183  1  0.342758  0.139763  0.396344  1
  Al  Al184  1  0.505808  0.050603  0.313640  1
  Al  Al185  1  0.005808  0.970382  0.285173  1
  Al  Al186  1  0.838231  0.055456  0.367804  1
  Al  Al187  1  0.339097  0.800547  0.285407  1
  Al  Al188  1  0.505808  0.719920  0.312526  1
  Al  Al189  1  0.847161  0.717095  0.261905  1
  Al  Al190  1  0.672866  0.971462  0.340311  1
  Al  Al191  1  0.343008  0.802574  0.563547  1
  Al  Al192  1  0.505808  0.552883  0.424200  1
  Al  Al193  1  0.668832  0.639409  0.563671  1
  Al  Al194  1  0.505808  0.053505  0.535121  1
  Al  Al195  1  0.836155  0.052485  0.534959  1
  Al  Al196  1  0.669010  0.135888  0.562772  1
  Al  Al197  1  0.340825  0.971279  0.507571  1
  Al  Al198  1  1.005808  0.974981  0.452021  1
  Al  Al199  1  0.505808  0.388714  0.535235  1
  Al  Al200  1  0.505808  0.889029  0.479966  1
  Al  Al201  1  0.175462  0.052485  0.534959  1
  Al  Al202  1  0.173098  0.055111  0.479581  1
  Al  Al203  1  1.005808  0.303185  0.451660  1
  Al  Al204  1  1.005808  0.474794  0.563293  1
  Al  Al205  1  0.173112  0.387023  0.479817  1
  Al  Al206  1  0.505808  0.554678  0.535339  1
  Al  Al207  1  0.005808  0.637587  0.508661  1
  Al  Al208  1  0.171901  0.220777  0.423614  1
  Al  Al209  1  0.838519  0.055111  0.479581  1
  Al  Al210  1  0.670792  0.971279  0.507571  1
  Al  Al211  1  0.505808  0.721079  0.536223  1
  Al  Al212  1  0.173252  0.887136  0.535546  1
  Al  Al213  1  0.342389  0.139625  0.451341  1
  Al  Al214  1  0.175526  0.889946  0.480287  1
  Al  Al215  1  0.668527  0.806377  0.452285  1
  Al  Al216  1  0.342607  0.135888  0.562772  1
  Al  Al217  1  0.173339  0.555073  0.535789  1
  Al  Al218  1  0.668445  0.635898  0.452372  1
  Al  Al219  1  0.836091  0.889946  0.480287  1
  Al  Al220  1  0.342666  0.306311  0.562854  1
  Al  Al221  1  0.505808  0.721145  0.479586  1
  Al  Al222  1  0.505808  0.220732  0.424181  1
  Al  Al223  1  1.005808  0.803092  0.563763  1
  Al  Al224  1  0.669228  0.139625  0.451341  1
  Al  Al225  1  0.505808  0.383379  0.424267  1
  Al  Al226  1  0.343090  0.806377  0.452285  1
  Al  Al227  1  0.668963  0.302261  0.451516  1
  Al  Al228  1  1.005808  0.138467  0.451519  1
  Al  Al229  1  0.836079  0.552361  0.480510  1
  Al  Al230  1  0.836104  0.389773  0.535120  1
  Al  Al231  1  0.505808  0.887420  0.535250  1
  Al  Al232  1  0.505808  0.055136  0.479813  1
  Al  Al233  1  0.505808  0.221061  0.535508  1
  Al  Al234  1  0.343172  0.635898  0.452372  1
  Al  Al235  1  0.505808  0.889188  0.424044  1
  Al  Al236  1  0.175538  0.552361  0.480510  1
  Al  Al237  1  0.175513  0.389773  0.535120  1
  Al  Al238  1  0.668951  0.306311  0.562854  1
  Al  Al239  1  0.505808  0.058374  0.424107  1
  Al  Al240  1  1.005808  0.967336  0.563106  1
  Al  Al241  1  0.005808  0.304585  0.506963  1
  Al  Al242  1  1.005808  0.638726  0.563878  1
  Al  Al243  1  0.005808  0.804679  0.508590  1
  Al  Al244  1  0.005808  0.137585  0.506925  1
  Al  Al245  1  0.838505  0.387023  0.479817  1
  Al  Al246  1  0.505808  0.386885  0.479914  1
  Al  Al247  1  0.340846  0.471009  0.507738  1
  Al  Al248  1  0.838365  0.887136  0.535546  1
  Al  Al249  1  0.668609  0.802574  0.563547  1
  Al  Al250  1  0.342785  0.639409  0.563671  1
  Al  Al251  1  0.505808  0.553235  0.480072  1
  Al  Al252  1  1.005808  0.467134  0.452389  1
  Al  Al253  1  0.838278  0.555073  0.535789  1
  Al  Al254  1  0.342654  0.302261  0.451516  1
  Al  Al255  1  0.505808  0.221008  0.478790  1
  Al  Al256  1  0.839716  0.220777  0.423614  1
  Al  Al257  1  0.670771  0.471009  0.507738  1
  Al  Al258  1  0.358474  0.303342  0.727075  1
  Al  Al259  1  0.505808  0.053034  0.591107  1
  Al  Al260  1  0.654411  0.139637  0.727216  1
  Al  Al261  1  0.505808  0.553043  0.700269  1
  Al  Al262  1  0.834600  0.552494  0.702734  1
  Al  Al263  1  0.657023  0.641594  0.726804  1
  Al  Al264  1  0.338224  0.472124  0.674715  1
  Al  Al265  1  0.005808  0.474724  0.619347  1
  Al  Al266  1  0.505808  0.888679  0.699664  1
  Al  Al267  1  0.505808  0.389897  0.646452  1
  Al  Al268  1  0.177017  0.552494  0.702734  1
  Al  Al269  1  0.171350  0.554757  0.647327  1
  Al  Al270  1  0.005808  0.803572  0.619667  1
  Al  Al271  1  0.005808  0.972425  0.727534  1
  Al  Al272  1  0.171043  0.886686  0.646709  1
  Al  Al273  1  0.505808  0.053528  0.698438  1
  Al  Al274  1  1.005808  0.136354  0.675134  1
  Al  Al275  1  0.171754  0.720809  0.592026  1
  Al  Al276  1  0.840267  0.554757  0.647327  1
  Al  Al277  1  0.673393  0.472124  0.674715  1
  Al  Al278  1  0.505808  0.220383  0.699825  1
  Al  Al279  1  0.178515  0.387248  0.702970  1
  Al  Al280  1  0.341355  0.640131  0.618387  1
  Al  Al281  1  0.174027  0.389557  0.647787  1
  Al  Al282  1  0.669515  0.306074  0.619143  1
  Al  Al283  1  0.354594  0.641594  0.726804  1
  Al  Al284  1  0.180301  0.051765  0.703347  1
  Al  Al285  1  0.669545  0.136007  0.618986  1
  Al  Al286  1  0.837590  0.389557  0.647787  1
  Al  Al287  1  0.350739  0.805776  0.726909  1
  Al  Al288  1  0.505808  0.221265  0.646030  1
  Al  Al289  1  0.505808  0.720925  0.590696  1
  Al  Al290  1  1.005808  0.306329  0.726648  1
  Al  Al291  1  0.670262  0.640131  0.618387  1
  Al  Al292  1  0.505808  0.883650  0.591077  1
  Al  Al293  1  0.342102  0.306074  0.619143  1
  Al  Al294  1  0.670427  0.801636  0.618264  1
  Al  Al295  1  0.005808  0.638032  0.619789  1
  Al  Al296  1  0.837803  0.051911  0.647533  1
  Al  Al297  1  0.834897  0.888354  0.701282  1
  Al  Al298  1  0.505808  0.393344  0.700259  1
  Al  Al299  1  0.505808  0.556225  0.646415  1
  Al  Al300  1  0.505808  0.722092  0.699616  1
  Al  Al301  1  0.342072  0.136007  0.618986  1
  Al  Al302  1  0.505808  0.389063  0.591351  1
  Al  Al303  1  0.173814  0.051911  0.647533  1
  Al  Al304  1  0.176720  0.888354  0.701282  1
  Al  Al305  1  0.660878  0.805776  0.726909  1
  Al  Al306  1  0.505808  0.558242  0.591246  1
  Al  Al307  1  0.005808  0.464303  0.727361  1
  Al  Al308  1  0.005808  0.804865  0.675920  1
  Al  Al309  1  1.005808  0.129496  0.726875  1
  Al  Al310  1  0.005808  0.305428  0.675161  1
  Al  Al311  1  0.005808  0.636909  0.675742  1
  Al  Al312  1  0.840574  0.886686  0.646709  1
  Al  Al313  1  0.505808  0.885421  0.646204  1
  Al  Al314  1  0.338319  0.969513  0.674504  1
  Al  Al315  1  0.833102  0.387248  0.702970  1
  Al  Al316  1  0.653143  0.303342  0.727075  1
  Al  Al317  1  0.357206  0.139637  0.727216  1
  Al  Al318  1  0.505808  0.052835  0.645910  1
  Al  Al319  1  0.005808  0.966986  0.619096  1
  Al  Al320  1  0.831316  0.051765  0.703347  1
  Al  Al321  1  0.341190  0.801636  0.618264  1
  Al  Al322  1  0.505808  0.720571  0.645223  1
  Al  Al323  1  0.839863  0.720809  0.592026  1
  Al  Al324  1  0.673298  0.969513  0.674504  1
