# generated using pymatgen
data_Mg41Al67
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.86644851
_cell_length_b   17.86644844
_cell_length_c   51.41726029
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg41Al67
_chemical_formula_sum   'Mg123 Al201'
_cell_volume   14213.9906785
_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  0.286715  0.891620  0.404235  1
  Mg  Mg2  1  0.559199  0.942231  0.306194  1
  Mg  Mg3  1  0.502293  0.503944  0.355265  1
  Mg  Mg4  1  0.559199  0.618216  0.306194  1
  Mg  Mg5  1  0.553219  0.277233  0.305117  1
  Mg  Mg6  1  0.614113  0.392125  0.403521  1
  Mg  Mg7  1  0.061409  0.944828  0.304767  1
  Mg  Mg8  1  0.114617  0.719522  0.404235  1
  Mg  Mg9  1  0.116432  0.889805  0.403817  1
  Mg  Mg10  1  0.388021  0.942231  0.306194  1
  Mg  Mg11  1  0.947002  0.889014  0.402894  1
  Mg  Mg12  1  0.502293  0.999596  0.355265  1
  Mg  Mg13  1  0.388021  0.447038  0.306194  1
  Mg  Mg14  1  0.116432  0.227874  0.403817  1
  Mg  Mg15  1  0.064006  0.447038  0.306194  1
  Mg  Mg16  1  0.336572  0.168910  0.357051  1
  Mg  Mg17  1  0.006641  0.503944  0.355265  1
  Mg  Mg18  1  0.609895  0.719522  0.404235  1
  Mg  Mg19  1  0.894427  0.447837  0.305840  1
  Mg  Mg20  1  0.286715  0.396342  0.404235  1
  Mg  Mg21  1  0.003742  0.002495  0.353142  1
  Mg  Mg22  1  0.614113  0.223235  0.403521  1
  Mg  Mg23  1  0.783002  0.392125  0.403521  1
  Mg  Mg24  1  0.558400  0.111810  0.305840  1
  Mg  Mg25  1  0.947002  0.059235  0.402894  1
  Mg  Mg26  1  0.114617  0.396342  0.404235  1
  Mg  Mg27  1  0.064006  0.618216  0.306194  1
  Mg  Mg28  1  0.837327  0.669665  0.357051  1
  Mg  Mg29  1  0.778363  0.889805  0.403817  1
  Mg  Mg30  1  0.609895  0.891620  0.404235  1
  Mg  Mg31  1  0.117223  0.059235  0.402894  1
  Mg  Mg32  1  0.558400  0.447837  0.305840  1
  Mg  Mg33  1  0.729004  0.277233  0.305117  1
  Mg  Mg34  1  0.172355  0.339721  0.356449  1
  Mg  Mg35  1  0.061409  0.117829  0.304767  1
  Mg  Mg36  1  0.888408  0.944828  0.304767  1
  Mg  Mg37  1  0.837327  0.168910  0.357051  1
  Mg  Mg38  1  0.172355  0.833882  0.356449  1
  Mg  Mg39  1  0.666516  0.833882  0.356449  1
  Mg  Mg40  1  0.729004  0.453018  0.305117  1
  Mg  Mg41  1  0.670409  0.335828  0.353007  1
  Mg  Mg42  1  0.619730  0.557300  0.547127  1
  Mg  Mg43  1  0.891881  0.607980  0.450833  1
  Mg  Mg44  1  0.834640  0.171598  0.500101  1
  Mg  Mg45  1  0.891881  0.285149  0.450833  1
  Mg  Mg46  1  0.889531  0.945389  0.452274  1
  Mg  Mg47  1  0.946253  0.059984  0.548378  1
  Mg  Mg48  1  0.394565  0.611673  0.449582  1
  Mg  Mg49  1  0.448937  0.386507  0.547127  1
  Mg  Mg50  1  0.450023  0.556214  0.546450  1
  Mg  Mg51  1  0.721088  0.607980  0.450833  1
  Mg  Mg52  1  0.279970  0.554950  0.545686  1
  Mg  Mg53  1  0.834640  0.664289  0.500101  1
  Mg  Mg54  1  0.721088  0.114356  0.450833  1
  Mg  Mg55  1  0.450023  0.895057  0.546450  1
  Mg  Mg56  1  0.398257  0.114356  0.450833  1
  Mg  Mg57  1  0.670409  0.835828  0.498980  1
  Mg  Mg58  1  0.341948  0.171598  0.500101  1
  Mg  Mg59  1  0.942560  0.386507  0.547127  1
  Mg  Mg60  1  0.229638  0.115443  0.451510  1
  Mg  Mg61  1  0.619730  0.063677  0.547127  1
  Mg  Mg62  1  0.337076  0.669162  0.497276  1
  Mg  Mg63  1  0.946253  0.887517  0.548378  1
  Mg  Mg64  1  0.118720  0.059984  0.548378  1
  Mg  Mg65  1  0.890794  0.776599  0.451510  1
  Mg  Mg66  1  0.279970  0.726267  0.545686  1
  Mg  Mg67  1  0.448937  0.063677  0.547127  1
  Mg  Mg68  1  0.398257  0.285149  0.450833  1
  Mg  Mg69  1  0.170409  0.335828  0.498980  1
  Mg  Mg70  1  0.111180  0.556214  0.546450  1
  Mg  Mg71  1  0.942560  0.557300  0.547127  1
  Mg  Mg72  1  0.451287  0.726267  0.545686  1
  Mg  Mg73  1  0.890794  0.115443  0.451510  1
  Mg  Mg74  1  0.060848  0.945389  0.452274  1
  Mg  Mg75  1  0.506178  0.007367  0.497859  1
  Mg  Mg76  1  0.394565  0.784139  0.449582  1
  Mg  Mg77  1  0.222098  0.611673  0.449582  1
  Mg  Mg78  1  0.170409  0.835828  0.498980  1
  Mg  Mg79  1  0.506178  0.500059  0.497859  1
  Mg  Mg80  1  0.998870  0.500059  0.497859  1
  Mg  Mg81  1  0.060848  0.116706  0.452274  1
  Mg  Mg82  1  1.003742  1.002495  0.500684  1
  Mg  Mg83  1  0.952797  0.224619  0.691767  1
  Mg  Mg84  1  0.226201  0.275314  0.593726  1
  Mg  Mg85  1  0.168462  0.837775  0.641511  1
  Mg  Mg86  1  0.226201  0.952134  0.593726  1
  Mg  Mg87  1  0.223595  0.612421  0.595067  1
  Mg  Mg88  1  0.279408  0.726829  0.693193  1
  Mg  Mg89  1  0.726705  0.279532  0.594440  1
  Mg  Mg90  1  0.781618  0.053440  0.691767  1
  Mg  Mg91  1  0.782418  0.223819  0.692121  1
  Mg  Mg92  1  0.054103  0.275314  0.593726  1
  Mg  Mg93  1  0.611814  0.218638  0.692843  1
  Mg  Mg94  1  0.168462  0.331935  0.641511  1
  Mg  Mg95  1  0.054103  0.780036  0.593726  1
  Mg  Mg96  1  0.782418  0.559846  0.692121  1
  Mg  Mg97  1  0.730923  0.780036  0.593726  1
  Mg  Mg98  1  0.004245  0.502746  0.640910  1
  Mg  Mg99  1  0.674302  0.837775  0.641511  1
  Mg  Mg100  1  0.276812  0.053440  0.691767  1
  Mg  Mg101  1  0.562455  0.781851  0.594143  1
  Mg  Mg102  1  0.952797  0.729426  0.691767  1
  Mg  Mg103  1  0.670409  0.335828  0.644953  1
  Mg  Mg104  1  0.279408  0.553827  0.693193  1
  Mg  Mg105  1  0.452410  0.726829  0.693193  1
  Mg  Mg106  1  0.224386  0.443782  0.594143  1
  Mg  Mg107  1  0.611814  0.394423  0.692843  1
  Mg  Mg108  1  0.781618  0.729426  0.691767  1
  Mg  Mg109  1  0.730923  0.952134  0.593726  1
  Mg  Mg110  1  0.503491  1.001992  0.640910  1
  Mg  Mg111  1  0.446391  0.223819  0.692121  1
  Mg  Mg112  1  0.276812  0.224619  0.691767  1
  Mg  Mg113  1  0.787599  0.394423  0.692843  1
  Mg  Mg114  1  0.224386  0.781851  0.594143  1
  Mg  Mg115  1  0.393816  0.612421  0.595067  1
  Mg  Mg116  1  0.838525  0.672061  0.642696  1
  Mg  Mg117  1  0.726705  0.448421  0.594440  1
  Mg  Mg118  1  0.557816  0.279532  0.594440  1
  Mg  Mg119  1  0.503491  0.502746  0.640910  1
  Mg  Mg120  1  0.838525  0.167712  0.642696  1
  Mg  Mg121  1  0.334176  0.167712  0.642696  1
  Mg  Mg122  1  0.393816  0.782643  0.595067  1
  Mg  Mg123  1  0.337076  0.669162  0.644819  1
  Al  Al124  1  0.282148  0.724089  0.403083  1
  Al  Al125  1  0.005046  0.668212  0.356555  1
  Al  Al126  1  0.338388  0.505743  0.356932  1
  Al  Al127  1  0.947527  0.556248  0.402929  1
  Al  Al128  1  0.838004  0.336802  0.355352  1
  Al  Al129  1  0.838004  0.502449  0.355352  1
  Al  Al130  1  0.725469  0.946722  0.310730  1
  Al  Al131  1  0.778055  0.057830  0.403490  1
  Al  Al132  1  0.613711  0.556248  0.402929  1
  Al  Al133  1  0.725469  0.779995  0.310730  1
  Al  Al134  1  0.727762  0.109578  0.310991  1
  Al  Al135  1  0.668156  1.001191  0.356555  1
  Al  Al136  1  0.449989  0.058710  0.402929  1
  Al  Al137  1  0.386805  0.278475  0.310991  1
  Al  Al138  1  0.338025  1.001191  0.356555  1
  Al  Al139  1  0.449718  0.556519  0.403500  1
  Al  Al140  1  0.170474  0.170235  0.355698  1
  Al  Al141  1  0.449718  0.894446  0.403500  1
  Al  Al142  1  0.780640  0.225597  0.403061  1
  Al  Al143  1  0.947527  0.392527  0.402929  1
  Al  Al144  1  0.282148  0.559307  0.403083  1
  Al  Al145  1  0.892403  0.113834  0.310398  1
  Al  Al146  1  0.500494  0.833892  0.356932  1
  Al  Al147  1  0.836002  1.001487  0.355698  1
  Al  Al148  1  0.727762  0.619432  0.310991  1
  Al  Al149  1  0.948407  0.721473  0.403490  1
  Al  Al150  1  0.226421  0.113834  0.310398  1
  Al  Al151  1  0.896659  0.619432  0.310991  1
  Al  Al152  1  0.948407  0.228182  0.403490  1
  Al  Al153  1  0.778055  0.721473  0.403490  1
  Al  Al154  1  0.892403  0.779816  0.310398  1
  Al  Al155  1  0.337076  0.669162  0.358532  1
  Al  Al156  1  0.059515  0.280768  0.310730  1
  Al  Al157  1  0.390784  0.615453  0.311988  1
  Al  Al158  1  0.172345  0.667849  0.356932  1
  Al  Al159  1  0.836002  0.835763  0.355698  1
  Al  Al160  1  0.229658  0.615453  0.311988  1
  Al  Al161  1  0.613711  0.058710  0.402929  1
  Al  Al162  1  0.284764  0.228182  0.403490  1
  Al  Al163  1  0.503788  0.336802  0.355352  1
  Al  Al164  1  0.111791  0.556519  0.403500  1
  Al  Al165  1  0.554957  0.778102  0.311257  1
  Al  Al166  1  0.780640  0.556291  0.403061  1
  Al  Al167  1  0.004750  0.835763  0.355698  1
  Al  Al168  1  0.668156  0.668212  0.356555  1
  Al  Al169  1  0.170474  1.001487  0.355698  1
  Al  Al170  1  0.386805  0.109578  0.310991  1
  Al  Al171  1  0.669435  0.502449  0.355352  1
  Al  Al172  1  0.500494  0.667849  0.356932  1
  Al  Al173  1  0.896659  0.278475  0.310991  1
  Al  Al174  1  0.503788  0.168233  0.355352  1
  Al  Al175  1  0.226242  0.280768  0.310730  1
  Al  Al176  1  0.004750  0.170235  0.355698  1
  Al  Al177  1  0.669435  0.168233  0.355352  1
  Al  Al178  1  0.449946  0.225597  0.403061  1
  Al  Al179  1  0.228135  0.778102  0.311257  1
  Al  Al180  1  0.226242  0.946722  0.310730  1
  Al  Al181  1  0.005046  0.338082  0.356555  1
  Al  Al182  1  0.172345  0.505743  0.356932  1
  Al  Al183  1  0.446930  0.724089  0.403083  1
  Al  Al184  1  0.059515  0.779995  0.310730  1
  Al  Al185  1  0.284764  0.057830  0.403490  1
  Al  Al186  1  0.338025  0.338082  0.356555  1
  Al  Al187  1  0.338388  0.833892  0.356932  1
  Al  Al188  1  0.390784  0.776579  0.311988  1
  Al  Al189  1  0.228135  0.451280  0.311257  1
  Al  Al190  1  0.449989  0.392527  0.402929  1
  Al  Al191  1  0.616399  0.389838  0.546315  1
  Al  Al192  1  0.338760  0.335828  0.498980  1
  Al  Al193  1  0.670409  0.173255  0.498980  1
  Al  Al194  1  0.283341  0.224196  0.546700  1
  Al  Al195  1  0.172862  0.003650  0.499901  1
  Al  Al196  1  0.172862  0.170460  0.499901  1
  Al  Al197  1  0.057477  0.611264  0.451261  1
  Al  Al198  1  0.111299  0.724661  0.546287  1
  Al  Al199  1  0.945845  0.224196  0.546700  1
  Al  Al200  1  0.057477  0.447460  0.451261  1
  Al  Al201  1  0.059242  0.776719  0.451673  1
  Al  Al202  1  1.002058  0.667477  0.498980  1
  Al  Al203  1  0.782041  0.722896  0.546700  1
  Al  Al204  1  0.722467  0.946996  0.451673  1
  Al  Al205  1  0.670409  0.667477  0.498980  1
  Al  Al206  1  0.780504  0.225733  0.547249  1
  Al  Al207  1  0.505040  0.838282  0.498059  1
  Al  Al208  1  0.780504  0.556019  0.547249  1
  Al  Al209  1  0.114596  0.891641  0.546566  1
  Al  Al210  1  0.283341  0.060392  0.546700  1
  Al  Al211  1  0.616399  0.227809  0.546315  1
  Al  Al212  1  0.226221  0.780016  0.451394  1
  Al  Al213  1  0.832982  0.498401  0.498980  1
  Al  Al214  1  0.167956  0.668006  0.498059  1
  Al  Al215  1  0.059242  0.283770  0.451673  1
  Al  Al216  1  0.281576  0.387886  0.546287  1
  Al  Al217  1  0.558784  0.780016  0.451394  1
  Al  Al218  1  0.229519  0.283770  0.451673  1
  Al  Al219  1  0.281576  0.894938  0.546287  1
  Al  Al220  1  0.111299  0.387886  0.546287  1
  Al  Al221  1  0.226221  0.447453  0.451394  1
  Al  Al222  1  0.670409  0.335828  0.498980  1
  Al  Al223  1  0.394973  0.948760  0.451261  1
  Al  Al224  1  0.724419  0.281819  0.451646  1
  Al  Al225  1  0.507836  0.335828  0.498980  1
  Al  Al226  1  0.167956  0.501197  0.498059  1
  Al  Al227  1  0.562390  0.281819  0.451646  1
  Al  Al228  1  0.945845  0.722896  0.546700  1
  Al  Al229  1  0.618351  0.894938  0.546287  1
  Al  Al230  1  0.835777  0.003650  0.499901  1
  Al  Al231  1  0.450218  0.225733  0.547249  1
  Al  Al232  1  0.890599  0.445923  0.450712  1
  Al  Al233  1  0.114596  0.224203  0.546566  1
  Al  Al234  1  0.338231  0.501197  0.498059  1
  Al  Al235  1  1.002058  0.335828  0.498980  1
  Al  Al236  1  0.505040  0.668006  0.498059  1
  Al  Al237  1  0.722467  0.776719  0.451673  1
  Al  Al238  1  1.002587  0.170460  0.499901  1
  Al  Al239  1  0.832982  0.335828  0.498980  1
  Al  Al240  1  0.229519  0.946996  0.451673  1
  Al  Al241  1  0.835777  0.833375  0.499901  1
  Al  Al242  1  0.558777  0.948760  0.451261  1
  Al  Al243  1  0.338231  0.838282  0.498059  1
  Al  Al244  1  1.002587  0.833375  0.499901  1
  Al  Al245  1  0.782034  0.891641  0.546566  1
  Al  Al246  1  0.560314  0.445923  0.450712  1
  Al  Al247  1  0.558777  0.611264  0.451261  1
  Al  Al248  1  0.338760  0.004179  0.498980  1
  Al  Al249  1  0.507836  0.173255  0.498980  1
  Al  Al250  1  0.778428  0.389838  0.546315  1
  Al  Al251  1  0.394973  0.447460  0.451261  1
  Al  Al252  1  0.618351  0.724661  0.546287  1
  Al  Al253  1  0.670409  0.004179  0.498980  1
  Al  Al254  1  0.670409  0.498401  0.498980  1
  Al  Al255  1  0.724419  0.443847  0.451646  1
  Al  Al256  1  0.560314  0.115638  0.450712  1
  Al  Al257  1  0.782041  0.060392  0.546700  1
  Al  Al258  1  0.950034  0.056203  0.685973  1
  Al  Al259  1  0.672662  0.003444  0.641406  1
  Al  Al260  1  1.002430  0.837764  0.641029  1
  Al  Al261  1  0.615348  0.891662  0.687230  1
  Al  Al262  1  0.504816  0.670170  0.642263  1
  Al  Al263  1  0.504816  0.835893  0.642263  1
  Al  Al264  1  0.393291  0.279130  0.595031  1
  Al  Al265  1  0.444159  0.393182  0.686969  1
  Al  Al266  1  0.281303  0.891662  0.687230  1
  Al  Al267  1  0.393291  0.115409  0.595031  1
  Al  Al268  1  0.392410  0.443474  0.594470  1
  Al  Al269  1  0.335772  0.333575  0.641406  1
  Al  Al270  1  0.114576  0.390889  0.687230  1
  Al  Al271  1  0.056054  0.613827  0.594470  1
  Al  Al272  1  1.002793  0.333575  0.641406  1
  Al  Al273  1  0.112683  0.893554  0.686703  1
  Al  Al274  1  0.837030  0.503423  0.642608  1
  Al  Al275  1  0.112683  0.220376  0.686703  1
  Al  Al276  1  0.448415  0.557822  0.687562  1
  Al  Al277  1  0.615348  0.724934  0.687230  1
  Al  Al278  1  0.950034  0.895078  0.685973  1
  Al  Al279  1  0.560178  0.446060  0.594900  1
  Al  Al280  1  0.168473  0.165913  0.641029  1
  Al  Al281  1  0.502814  0.334854  0.642608  1
  Al  Al282  1  0.392410  0.950184  0.594470  1
  Al  Al283  1  0.613055  0.052225  0.686969  1
  Al  Al284  1  0.890872  0.446060  0.594900  1
  Al  Al285  1  0.562763  0.950184  0.594470  1
  Al  Al286  1  0.613055  0.562078  0.686969  1
  Al  Al287  1  0.444159  0.052225  0.686969  1
  Al  Al288  1  0.560178  0.115365  0.594900  1
  Al  Al289  1  0.003742  1.002495  0.639429  1
  Al  Al290  1  0.727107  0.612946  0.595031  1
  Al  Al291  1  0.058669  0.947568  0.594878  1
  Al  Al292  1  0.840324  0.003807  0.641029  1
  Al  Al293  1  0.502814  0.169207  0.642608  1
  Al  Al294  1  0.893888  0.947568  0.594878  1
  Al  Al295  1  0.281303  0.390889  0.687230  1
  Al  Al296  1  0.954012  0.562078  0.686969  1
  Al  Al297  1  0.170344  0.670170  0.642263  1
  Al  Al298  1  0.785861  0.893554  0.686703  1
  Al  Al299  1  0.229027  0.115137  0.594460  1
  Al  Al300  1  0.448415  0.891840  0.687562  1
  Al  Al301  1  0.671383  0.169207  0.642608  1
  Al  Al302  1  0.335772  0.003444  0.641406  1
  Al  Al303  1  0.837030  0.334854  0.642608  1
  Al  Al304  1  0.056054  0.443474  0.594470  1
  Al  Al305  1  0.336068  0.835893  0.642263  1
  Al  Al306  1  0.168473  0.003807  0.641029  1
  Al  Al307  1  0.562763  0.613827  0.594470  1
  Al  Al308  1  0.170344  0.501422  0.642263  1
  Al  Al309  1  0.890828  0.612946  0.595031  1
  Al  Al310  1  0.671383  0.503423  0.642608  1
  Al  Al311  1  0.336068  0.501422  0.642263  1
  Al  Al312  1  0.114397  0.557822  0.687562  1
  Al  Al313  1  0.891100  0.115137  0.594460  1
  Al  Al314  1  0.890828  0.279130  0.595031  1
  Al  Al315  1  0.672662  0.670466  0.641406  1
  Al  Al316  1  0.840324  0.837764  0.641029  1
  Al  Al317  1  0.111159  0.056203  0.685973  1
  Al  Al318  1  0.727107  0.115409  0.595031  1
  Al  Al319  1  0.954012  0.393182  0.686969  1
  Al  Al320  1  1.002793  0.670466  0.641406  1
  Al  Al321  1  1.002430  0.165913  0.641029  1
  Al  Al322  1  0.058669  0.112349  0.594878  1
  Al  Al323  1  0.891100  0.777210  0.594460  1
  Al  Al324  1  0.114576  0.724934  0.687230  1
