# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.07543482
_cell_length_b   17.99552117
_cell_length_c   54.27002140
_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   11793.078778
_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  0.844284  0.690831  0.416771  1
  Mg  Mg2  1  0.851407  0.848840  0.311967  1
  Mg  Mg3  1  0.343616  0.599845  0.275114  1
  Mg  Mg4  1  0.148262  0.686110  0.250762  1
  Mg  Mg5  1  0.502204  0.012808  0.364540  1
  Mg  Mg6  1  0.663558  0.600109  0.274533  1
  Mg  Mg7  1  0.335522  0.600279  0.387888  1
  Mg  Mg8  1  0.840525  0.518013  0.417088  1
  Mg  Mg9  1  0.708307  0.099236  0.271357  1
  Mg  Mg10  1  0.662651  0.763411  0.335517  1
  Mg  Mg11  1  0.503988  0.011585  0.292994  1
  Mg  Mg12  1  0.831005  0.850351  0.365554  1
  Mg  Mg13  1  0.148802  0.513491  0.250605  1
  Mg  Mg14  1  0.358422  0.271459  0.330984  1
  Mg  Mg15  1  0.850413  0.351269  0.311223  1
  Mg  Mg16  1  0.505690  0.310572  0.249596  1
  Mg  Mg17  1  0.827805  0.349593  0.365304  1
  Mg  Mg18  1  0.343922  0.762178  0.335805  1
  Mg  Mg19  1  0.652889  0.270388  0.330976  1
  Mg  Mg20  1  0.346816  0.435906  0.335380  1
  Mg  Mg21  1  0.301573  0.100156  0.271026  1
  Mg  Mg22  1  0.863232  0.514331  0.250373  1
  Mg  Mg23  1  0.862790  0.685768  0.250872  1
  Mg  Mg24  1  0.650588  0.928495  0.331574  1
  Mg  Mg25  1  0.351910  0.100237  0.328905  1
  Mg  Mg26  1  0.176391  0.351969  0.365096  1
  Mg  Mg27  1  0.663876  0.437131  0.334826  1
  Mg  Mg28  1  0.505343  0.889380  0.249844  1
  Mg  Mg29  1  0.357644  0.928269  0.330908  1
  Mg  Mg30  1  0.179775  0.849145  0.365838  1
  Mg  Mg31  1  0.505392  0.187979  0.292885  1
  Mg  Mg32  1  0.330143  0.102156  0.389384  1
  Mg  Mg33  1  0.655967  0.099064  0.329112  1
  Mg  Mg34  1  0.156837  0.350007  0.311654  1
  Mg  Mg35  1  0.158984  0.688325  0.417740  1
  Mg  Mg36  1  0.163120  0.520010  0.416261  1
  Mg  Mg37  1  0.005108  0.099551  0.333299  1
  Mg  Mg38  1  0.676142  0.601714  0.387245  1
  Mg  Mg39  1  0.157723  0.850139  0.311822  1
  Mg  Mg40  1  0.505123  0.187257  0.364165  1
  Mg  Mg41  1  0.673231  0.099666  0.390485  1
  Mg  Mg42  1  0.840732  0.229557  0.583606  1
  Mg  Mg43  1  0.845268  0.363545  0.474291  1
  Mg  Mg44  1  0.333714  0.110025  0.447086  1
  Mg  Mg45  1  0.164601  0.191321  0.417889  1
  Mg  Mg46  1  0.498533  0.542554  0.531726  1
  Mg  Mg47  1  0.669048  0.113110  0.446016  1
  Mg  Mg48  1  0.338863  0.134141  0.556441  1
  Mg  Mg49  1  0.841178  0.056122  0.585245  1
  Mg  Mg50  1  0.676385  0.609486  0.444726  1
  Mg  Mg51  1  0.667353  0.287500  0.501006  1
  Mg  Mg52  1  0.504385  0.531065  0.472675  1
  Mg  Mg53  1  0.845544  0.379344  0.529921  1
  Mg  Mg54  1  0.166905  0.019054  0.419117  1
  Mg  Mg55  1  0.339227  0.795191  0.501671  1
  Mg  Mg56  1  0.839821  0.872149  0.474110  1
  Mg  Mg57  1  0.502940  0.851390  0.421877  1
  Mg  Mg58  1  0.838089  0.882070  0.531807  1
  Mg  Mg59  1  0.334982  0.284684  0.502069  1
  Mg  Mg60  1  0.677081  0.791124  0.503149  1
  Mg  Mg61  1  0.340635  0.960813  0.503258  1
  Mg  Mg62  1  0.337487  0.611635  0.443779  1
  Mg  Mg63  1  0.846539  0.020847  0.418483  1
  Mg  Mg64  1  0.849197  0.188672  0.418514  1
  Mg  Mg65  1  0.669032  0.453488  0.503002  1
  Mg  Mg66  1  0.328450  0.626529  0.500743  1
  Mg  Mg67  1  0.163462  0.884968  0.530637  1
  Mg  Mg68  1  0.673717  0.963931  0.502231  1
  Mg  Mg69  1  0.503457  0.353062  0.420658  1
  Mg  Mg70  1  0.331468  0.457055  0.501720  1
  Mg  Mg71  1  0.169558  0.375967  0.531134  1
  Mg  Mg72  1  0.508757  0.705631  0.472296  1
  Mg  Mg73  1  0.330491  0.638584  0.558224  1
  Mg  Mg74  1  0.679355  0.621763  0.502539  1
  Mg  Mg75  1  0.160956  0.868655  0.475309  1
  Mg  Mg76  1  0.159761  0.226760  0.584769  1
  Mg  Mg77  1  0.160144  0.059682  0.584320  1
  Mg  Mg78  1  0.004069  0.624039  0.501806  1
  Mg  Mg79  1  0.675370  0.137148  0.555232  1
  Mg  Mg80  1  0.168325  0.365777  0.473401  1
  Mg  Mg81  1  0.503625  0.717152  0.531122  1
  Mg  Mg82  1  0.669192  0.634991  0.559476  1
  Mg  Mg83  1  0.840183  0.754642  0.750962  1
  Mg  Mg84  1  0.839642  0.901141  0.640972  1
  Mg  Mg85  1  0.332464  0.648808  0.616016  1
  Mg  Mg86  1  0.168749  0.731000  0.586240  1
  Mg  Mg87  1  0.499001  0.077360  0.705580  1
  Mg  Mg88  1  0.667281  0.652090  0.614252  1
  Mg  Mg89  1  0.333651  0.664574  0.726841  1
  Mg  Mg90  1  0.841300  0.579760  0.752285  1
  Mg  Mg91  1  0.678638  0.147682  0.612979  1
  Mg  Mg92  1  0.660317  0.823702  0.667761  1
  Mg  Mg93  1  0.503318  0.068341  0.638657  1
  Mg  Mg94  1  0.846619  0.912103  0.695149  1
  Mg  Mg95  1  0.166946  0.557204  0.587446  1
  Mg  Mg96  1  0.352202  0.329036  0.668517  1
  Mg  Mg97  1  0.834433  0.406579  0.640952  1
  Mg  Mg98  1  0.504942  0.394206  0.584684  1
  Mg  Mg99  1  0.846069  0.413390  0.697446  1
  Mg  Mg100  1  0.340154  0.821267  0.669499  1
  Mg  Mg101  1  0.660351  0.328110  0.669830  1
  Mg  Mg102  1  0.341685  0.493388  0.670530  1
  Mg  Mg103  1  0.337439  0.151991  0.611508  1
  Mg  Mg104  1  0.848794  0.560864  0.586095  1
  Mg  Mg105  1  0.846992  0.727742  0.587364  1
  Mg  Mg106  1  0.654116  0.987265  0.670549  1
  Mg  Mg107  1  0.343513  0.159837  0.670691  1
  Mg  Mg108  1  0.158414  0.416481  0.697204  1
  Mg  Mg109  1  0.668641  0.496140  0.669244  1
  Mg  Mg110  1  0.503615  0.894257  0.585152  1
  Mg  Mg111  1  0.345220  0.990456  0.669880  1
  Mg  Mg112  1  0.165560  0.907319  0.697043  1
  Mg  Mg113  1  0.509010  0.241977  0.638233  1
  Mg  Mg114  1  0.300735  0.167934  0.728887  1
  Mg  Mg115  1  0.664169  0.155854  0.672120  1
  Mg  Mg116  1  0.167724  0.402686  0.641792  1
  Mg  Mg117  1  0.146819  0.753237  0.751870  1
  Mg  Mg118  1  0.147188  0.582569  0.752445  1
  Mg  Mg119  1  1.003117  0.159597  0.669540  1
  Mg  Mg120  1  0.681886  0.665116  0.721871  1
  Mg  Mg121  1  0.175369  0.905126  0.640358  1
  Mg  Mg122  1  0.503821  0.246226  0.704496  1
  Mg  Mg123  1  0.702290  0.164437  0.729862  1
  Al  Al124  1  1.000150  0.601202  0.385918  1
  Al  Al125  1  0.667311  0.436212  0.391792  1
  Al  Al126  1  0.173683  0.520446  0.307164  1
  Al  Al127  1  0.878947  0.848407  0.258872  1
  Al  Al128  1  0.827687  0.184880  0.360909  1
  Al  Al129  1  0.669815  0.267098  0.393953  1
  Al  Al130  1  1.003738  0.946642  0.285276  1
  Al  Al131  1  0.181642  0.012089  0.360371  1
  Al  Al132  1  0.503870  0.679866  0.306701  1
  Al  Al133  1  0.128644  0.848674  0.258696  1
  Al  Al134  1  0.835934  0.015743  0.307839  1
  Al  Al135  1  0.004979  0.939885  0.339017  1
  Al  Al136  1  0.880271  0.351553  0.258232  1
  Al  Al137  1  0.337903  0.931983  0.393452  1
  Al  Al138  1  0.666452  0.766455  0.392144  1
  Al  Al139  1  0.338411  0.599082  0.332222  1
  Al  Al140  1  0.306193  0.271420  0.277955  1
  Al  Al141  1  0.004556  0.771929  0.390620  1
  Al  Al142  1  0.009010  0.101683  0.386675  1
  Al  Al143  1  1.003804  0.271643  0.390709  1
  Al  Al144  1  0.167174  0.518129  0.360281  1
  Al  Al145  1  0.004098  0.099722  0.280527  1
  Al  Al146  1  0.006936  0.755634  0.337913  1
  Al  Al147  1  0.173249  0.016444  0.307184  1
  Al  Al148  1  0.338862  0.271907  0.391868  1
  Al  Al149  1  0.703547  0.928157  0.278557  1
  Al  Al150  1  0.341189  0.763036  0.393151  1
  Al  Al151  1  0.507853  0.354534  0.366544  1
  Al  Al152  1  0.179739  0.189194  0.359781  1
  Al  Al153  1  0.503898  0.839133  0.299166  1
  Al  Al154  1  0.342407  0.437386  0.391508  1
  Al  Al155  1  0.004191  0.599714  0.333995  1
  Al  Al156  1  1.003193  0.252957  0.284911  1
  Al  Al157  1  0.006553  0.599854  0.283924  1
  Al  Al158  1  0.839959  0.517979  0.360251  1
  Al  Al159  1  0.304935  0.928613  0.277741  1
  Al  Al160  1  0.835376  0.522102  0.306431  1
  Al  Al161  1  0.005665  0.934395  0.391247  1
  Al  Al162  1  0.506414  0.360202  0.298837  1
  Al  Al163  1  0.502483  0.474581  0.258880  1
  Al  Al164  1  1.002148  0.433200  0.390222  1
  Al  Al165  1  0.005150  0.755443  0.286219  1
  Al  Al166  1  0.688437  0.772169  0.280671  1
  Al  Al167  1  0.508962  0.518823  0.416673  1
  Al  Al168  1  0.318984  0.772671  0.281015  1
  Al  Al169  1  0.509429  0.686671  0.416421  1
  Al  Al170  1  0.501748  0.845410  0.367186  1
  Al  Al171  1  0.502452  0.725707  0.259227  1
  Al  Al172  1  0.173572  0.678341  0.307352  1
  Al  Al173  1  0.835798  0.183114  0.307540  1
  Al  Al174  1  0.669015  0.932314  0.392957  1
  Al  Al175  1  0.129644  0.350845  0.258574  1
  Al  Al176  1  0.172520  0.183852  0.307099  1
  Al  Al177  1  0.828353  0.013807  0.360761  1
  Al  Al178  1  0.689019  0.427709  0.279865  1
  Al  Al179  1  0.670548  0.600249  0.331695  1
  Al  Al180  1  0.504332  0.679335  0.362181  1
  Al  Al181  1  1.001225  0.259957  0.338494  1
  Al  Al182  1  1.001986  0.444160  0.337574  1
  Al  Al183  1  0.166839  0.679892  0.361434  1
  Al  Al184  1  0.505461  0.520856  0.362118  1
  Al  Al185  1  0.705126  0.271043  0.277738  1
  Al  Al186  1  0.320070  0.426803  0.280799  1
  Al  Al187  1  0.841624  0.682978  0.360193  1
  Al  Al188  1  0.835577  0.678637  0.306901  1
  Al  Al189  1  0.004887  0.444510  0.285851  1
  Al  Al190  1  0.504324  0.519970  0.306442  1
  Al  Al191  1  0.997425  0.135944  0.553832  1
  Al  Al192  1  0.672749  0.970771  0.557947  1
  Al  Al193  1  0.164224  0.035117  0.476201  1
  Al  Al194  1  0.834632  0.354191  0.419614  1
  Al  Al195  1  0.842737  0.712253  0.532678  1
  Al  Al196  1  0.670750  0.802939  0.560525  1
  Al  Al197  1  0.004032  0.441215  0.445222  1
  Al  Al198  1  0.169606  0.544665  0.531161  1
  Al  Al199  1  0.502051  0.202325  0.472836  1
  Al  Al200  1  0.174488  0.356043  0.419087  1
  Al  Al201  1  0.841704  0.528309  0.473997  1
  Al  Al202  1  0.011131  0.460326  0.501380  1
  Al  Al203  1  0.836151  0.856571  0.419712  1
  Al  Al204  1  0.329738  0.466943  0.559195  1
  Al  Al205  1  0.667579  0.306256  0.555758  1
  Al  Al206  1  0.337322  0.122756  0.501685  1
  Al  Al207  1  0.327583  0.776936  0.446991  1
  Al  Al208  1  1.003781  0.302740  0.556970  1
  Al  Al209  1  0.012402  0.638878  0.556518  1
  Al  Al210  1  0.004286  0.807196  0.559076  1
  Al  Al211  1  0.163888  0.049651  0.528822  1
  Al  Al212  1  0.997843  0.608194  0.447196  1
  Al  Al213  1  0.010417  0.281273  0.501808  1
  Al  Al214  1  0.165608  0.534737  0.471336  1
  Al  Al215  1  0.337005  0.810986  0.557608  1
  Al  Al216  1  0.671932  0.437665  0.446837  1
  Al  Al217  1  0.340837  0.298822  0.558528  1
  Al  Al218  1  0.511903  0.884242  0.531529  1
  Al  Al219  1  0.165809  0.720454  0.529438  1
  Al  Al220  1  0.497162  0.364371  0.473561  1
  Al  Al221  1  0.336531  0.971754  0.557592  1
  Al  Al222  1  0.004052  0.123905  0.501456  1
  Al  Al223  1  1.001761  0.778342  0.446927  1
  Al  Al224  1  0.009926  0.111362  0.449373  1
  Al  Al225  1  0.842412  0.050396  0.528528  1
  Al  Al226  1  0.336033  0.443030  0.444902  1
  Al  Al227  1  0.843847  0.041274  0.474019  1
  Al  Al228  1  0.006523  0.469392  0.558017  1
  Al  Al229  1  0.513164  0.874157  0.475160  1
  Al  Al230  1  0.497615  0.019637  0.420276  1
  Al  Al231  1  1.001879  0.970307  0.557776  1
  Al  Al232  1  0.005980  0.277650  0.446355  1
  Al  Al233  1  0.673566  0.275779  0.446588  1
  Al  Al234  1  0.512169  0.056983  0.583990  1
  Al  Al235  1  0.333404  0.275864  0.446491  1
  Al  Al236  1  0.513033  0.226965  0.582988  1
  Al  Al237  1  0.495629  0.374297  0.530293  1
  Al  Al238  1  0.497293  0.190159  0.419106  1
  Al  Al239  1  0.166321  0.197110  0.474672  1
  Al  Al240  1  0.838602  0.702602  0.472967  1
  Al  Al241  1  0.677832  0.469723  0.558218  1
  Al  Al242  1  0.172231  0.854741  0.420335  1
  Al  Al243  1  0.164480  0.703309  0.472979  1
  Al  Al244  1  0.843452  0.544512  0.531096  1
  Al  Al245  1  0.668329  0.948180  0.446229  1
  Al  Al246  1  0.670842  0.125155  0.500822  1
  Al  Al247  1  0.504016  0.209496  0.528365  1
  Al  Al248  1  0.996005  0.787927  0.503453  1
  Al  Al249  1  0.997521  0.967170  0.502404  1
  Al  Al250  1  0.163573  0.206495  0.529095  1
  Al  Al251  1  0.506229  0.046340  0.530190  1
  Al  Al252  1  0.680199  0.779569  0.446304  1
  Al  Al253  1  0.339108  0.941699  0.448711  1
  Al  Al254  1  0.844646  0.212684  0.526732  1
  Al  Al255  1  0.843583  0.198135  0.474201  1
  Al  Al256  1  0.004441  0.945456  0.447099  1
  Al  Al257  1  0.504198  0.038236  0.474940  1
  Al  Al258  1  0.994176  0.664772  0.719961  1
  Al  Al259  1  0.671220  0.499005  0.722633  1
  Al  Al260  1  0.165731  0.570830  0.644166  1
  Al  Al261  1  0.834441  0.892174  0.586234  1
  Al  Al262  1  0.832929  0.246735  0.695240  1
  Al  Al263  1  0.678721  0.337897  0.723376  1
  Al  Al264  1  0.004475  0.979592  0.613187  1
  Al  Al265  1  0.173896  0.076999  0.695325  1
  Al  Al266  1  0.500360  0.736575  0.640872  1
  Al  Al267  1  0.173901  0.895034  0.585455  1
  Al  Al268  1  0.835522  0.064620  0.642982  1
  Al  Al269  1  0.012031  0.995696  0.666996  1
  Al  Al270  1  0.837313  0.394828  0.585342  1
  Al  Al271  1  0.318700  0.992628  0.724038  1
  Al  Al272  1  0.669939  0.832356  0.720571  1
  Al  Al273  1  0.336087  0.657972  0.671060  1
  Al  Al274  1  0.333464  0.318279  0.611858  1
  Al  Al275  1  1.000068  0.819679  0.718573  1
  Al  Al276  1  0.004955  0.160370  0.721572  1
  Al  Al277  1  0.005073  0.309309  0.718412  1
  Al  Al278  1  0.168015  0.583407  0.696802  1
  Al  Al279  1  0.996314  0.147950  0.615539  1
  Al  Al280  1  0.011064  0.816213  0.667418  1
  Al  Al281  1  0.172954  0.072882  0.640283  1
  Al  Al282  1  0.329478  0.341932  0.721760  1
  Al  Al283  1  0.670867  0.975833  0.613227  1
  Al  Al284  1  0.338583  0.825787  0.723995  1
  Al  Al285  1  0.506529  0.418197  0.701641  1
  Al  Al286  1  0.173822  0.250558  0.693403  1
  Al  Al287  1  0.495335  0.900505  0.638529  1
  Al  Al288  1  0.339755  0.502624  0.724433  1
  Al  Al289  1  0.005008  0.658912  0.669128  1
  Al  Al290  1  1.001047  0.315534  0.613557  1
  Al  Al291  1  0.011896  0.649876  0.617288  1
  Al  Al292  1  0.839292  0.582168  0.694482  1
  Al  Al293  1  0.336590  0.983867  0.610439  1
  Al  Al294  1  0.842450  0.577241  0.641392  1
  Al  Al295  1  0.006259  0.008371  0.718696  1
  Al  Al296  1  0.510041  0.412176  0.638737  1
  Al  Al297  1  0.494447  0.559500  0.587805  1
  Al  Al298  1  0.999998  0.509925  0.720097  1
  Al  Al299  1  0.007231  0.817367  0.613984  1
  Al  Al300  1  0.669084  0.814721  0.613282  1
  Al  Al301  1  0.520082  0.581566  0.747049  1
  Al  Al302  1  0.336190  0.815877  0.613172  1
  Al  Al303  1  0.520702  0.750013  0.746398  1
  Al  Al304  1  0.496184  0.906969  0.702499  1
  Al  Al305  1  0.494565  0.730579  0.586758  1
  Al  Al306  1  0.168366  0.735666  0.642878  1
  Al  Al307  1  0.831163  0.239574  0.641132  1
  Al  Al308  1  0.684213  0.993698  0.722908  1
  Al  Al309  1  0.170136  0.392055  0.586180  1
  Al  Al310  1  0.172346  0.238497  0.640543  1
  Al  Al311  1  0.836318  0.076413  0.695964  1
  Al  Al312  1  0.668429  0.487936  0.612151  1
  Al  Al313  1  0.669730  0.659973  0.668493  1
  Al  Al314  1  0.502377  0.740244  0.696294  1
  Al  Al315  1  0.998566  0.320761  0.667452  1
  Al  Al316  1  0.999144  0.501327  0.668088  1
  Al  Al317  1  0.167711  0.738973  0.696505  1
  Al  Al318  1  0.503654  0.582607  0.696817  1
  Al  Al319  1  0.676667  0.319875  0.611260  1
  Al  Al320  1  0.339227  0.480403  0.614721  1
  Al  Al321  1  0.839767  0.745844  0.693002  1
  Al  Al322  1  0.842431  0.735880  0.641981  1
  Al  Al323  1  0.003993  0.481022  0.614408  1
  Al  Al324  1  0.502692  0.574509  0.642397  1
