# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.62783648
_cell_length_b   15.63246550
_cell_length_c   47.47667710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg189 Al63'
_cell_volume   11035.9319941
_cell_formula_units_Z   63
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  0.931119  0.096311  0.322984  1
  Mg  Mg2  1  0.264031  0.761688  0.326158  1
  Mg  Mg3  1  0.302157  0.135300  0.300660  1
  Mg  Mg4  1  0.677487  0.178720  0.279117  1
  Mg  Mg5  1  0.008610  0.844022  0.279835  1
  Mg  Mg6  1  0.341073  0.511593  0.279496  1
  Mg  Mg7  1  0.596635  0.428790  0.326136  1
  Mg  Mg8  1  0.634235  0.801585  0.300603  1
  Mg  Mg9  1  0.968601  0.469635  0.300927  1
  Mg  Mg10  1  0.763404  0.263162  0.324227  1
  Mg  Mg11  1  0.094177  0.931612  0.325874  1
  Mg  Mg12  1  0.135854  0.302444  0.301043  1
  Mg  Mg13  1  0.509422  0.342597  0.279594  1
  Mg  Mg14  1  0.845956  0.010286  0.278945  1
  Mg  Mg15  1  0.177343  0.675670  0.279613  1
  Mg  Mg16  1  0.427417  0.598219  0.326002  1
  Mg  Mg17  1  0.468478  0.968255  0.300544  1
  Mg  Mg18  1  0.801473  0.634805  0.300589  1
  Mg  Mg19  1  0.947668  0.283237  0.311261  1
  Mg  Mg20  1  0.284737  0.949885  0.313496  1
  Mg  Mg21  1  0.322768  0.323314  0.290068  1
  Mg  Mg22  1  0.698995  0.371305  0.269921  1
  Mg  Mg23  1  0.910825  0.910947  0.335809  1
  Mg  Mg24  1  0.366878  0.702319  0.269959  1
  Mg  Mg25  1  0.616343  0.616904  0.313110  1
  Mg  Mg26  1  0.656331  0.989471  0.290030  1
  Mg  Mg27  1  0.989484  0.657009  0.290139  1
  Mg  Mg28  1  0.811996  0.979260  0.390562  1
  Mg  Mg29  1  0.145698  0.646091  0.390581  1
  Mg  Mg30  1  0.185912  0.018113  0.368584  1
  Mg  Mg31  1  0.558142  0.056711  0.346205  1
  Mg  Mg32  1  0.891350  0.723188  0.346317  1
  Mg  Mg33  1  0.224858  0.390085  0.346346  1
  Mg  Mg34  1  0.479054  0.312746  0.390472  1
  Mg  Mg35  1  0.519156  0.684769  0.368740  1
  Mg  Mg36  1  0.852862  0.351275  0.368558  1
  Mg  Mg37  1  0.645726  0.145863  0.390445  1
  Mg  Mg38  1  0.978963  0.812624  0.390588  1
  Mg  Mg39  1  0.017948  0.185857  0.368205  1
  Mg  Mg40  1  0.389725  0.225049  0.346195  1
  Mg  Mg41  1  0.722626  0.891718  0.346333  1
  Mg  Mg42  1  0.056498  0.558591  0.346359  1
  Mg  Mg43  1  0.312309  0.479413  0.390546  1
  Mg  Mg44  1  0.351044  0.852895  0.368828  1
  Mg  Mg45  1  0.684371  0.519567  0.368708  1
  Mg  Mg46  1  0.832950  0.165201  0.379370  1
  Mg  Mg47  1  0.165181  0.833077  0.379893  1
  Mg  Mg48  1  0.205217  0.205082  0.356947  1
  Mg  Mg49  1  0.577576  0.245285  0.335491  1
  Mg  Mg50  1  0.792871  0.793250  0.401618  1
  Mg  Mg51  1  0.244523  0.578473  0.335452  1
  Mg  Mg52  1  0.498790  0.499350  0.380041  1
  Mg  Mg53  1  0.538453  0.872307  0.357141  1
  Mg  Mg54  1  0.871900  0.539025  0.357184  1
  Mg  Mg55  1  0.694575  0.861560  0.457573  1
  Mg  Mg56  1  0.027937  0.528177  0.457499  1
  Mg  Mg57  1  0.066881  0.901022  0.435415  1
  Mg  Mg58  1  0.440004  0.940202  0.412880  1
  Mg  Mg59  1  0.773276  0.606826  0.412866  1
  Mg  Mg60  1  0.106566  0.273312  0.412582  1
  Mg  Mg61  1  0.361385  0.194790  0.457518  1
  Mg  Mg62  1  0.400578  0.567280  0.435707  1
  Mg  Mg63  1  0.734147  0.233786  0.435337  1
  Mg  Mg64  1  0.527878  0.028297  0.457590  1
  Mg  Mg65  1  0.861085  0.695059  0.457554  1
  Mg  Mg66  1  0.900212  0.067586  0.435429  1
  Mg  Mg67  1  0.273161  0.106966  0.412744  1
  Mg  Mg68  1  0.606457  0.773669  0.412877  1
  Mg  Mg69  1  0.939838  0.440252  0.412748  1
  Mg  Mg70  1  0.194490  0.361539  0.457440  1
  Mg  Mg71  1  0.233522  0.734422  0.435636  1
  Mg  Mg72  1  0.567319  0.400592  0.435444  1
  Mg  Mg73  1  0.714092  0.047904  0.446420  1
  Mg  Mg74  1  0.047468  0.714615  0.446457  1
  Mg  Mg75  1  0.086890  0.087411  0.423924  1
  Mg  Mg76  1  0.459728  0.126668  0.401602  1
  Mg  Mg77  1  0.674949  0.675382  0.468788  1
  Mg  Mg78  1  0.126074  0.459758  0.401495  1
  Mg  Mg79  1  0.380946  0.381102  0.446409  1
  Mg  Mg80  1  0.420393  0.754029  0.424266  1
  Mg  Mg81  1  0.753764  0.420548  0.424047  1
  Mg  Mg82  1  0.576810  0.743902  0.524708  1
  Mg  Mg83  1  0.910011  0.410564  0.524426  1
  Mg  Mg84  1  0.949300  0.783160  0.502216  1
  Mg  Mg85  1  0.322076  0.822348  0.480098  1
  Mg  Mg86  1  0.655401  0.488894  0.480022  1
  Mg  Mg87  1  0.988680  0.155621  0.479884  1
  Mg  Mg88  1  0.243485  0.077125  0.524483  1
  Mg  Mg89  1  0.282768  0.449668  0.502201  1
  Mg  Mg90  1  0.616071  0.116377  0.502250  1
  Mg  Mg91  1  0.410280  0.910442  0.524642  1
  Mg  Mg92  1  0.743446  0.577135  0.524555  1
  Mg  Mg93  1  0.782623  0.949802  0.502217  1
  Mg  Mg94  1  0.155217  0.989096  0.479951  1
  Mg  Mg95  1  0.488685  0.655731  0.480151  1
  Mg  Mg96  1  0.821972  0.322314  0.479895  1
  Mg  Mg97  1  0.076846  0.243739  0.524404  1
  Mg  Mg98  1  0.116020  0.616450  0.502224  1
  Mg  Mg99  1  0.449480  0.283029  0.502227  1
  Mg  Mg100  1  0.596510  0.930055  0.513449  1
  Mg  Mg101  1  0.929621  0.596936  0.513267  1
  Mg  Mg102  1  0.968919  0.969415  0.491161  1
  Mg  Mg103  1  0.341686  0.008663  0.468728  1
  Mg  Mg104  1  0.557269  0.557485  0.535939  1
  Mg  Mg105  1  0.008309  0.341901  0.468568  1
  Mg  Mg106  1  0.263188  0.263356  0.513249  1
  Mg  Mg107  1  0.302324  0.636064  0.491301  1
  Mg  Mg108  1  0.635798  0.302578  0.491165  1
  Mg  Mg109  1  0.458963  0.626022  0.591820  1
  Mg  Mg110  1  0.792091  0.292709  0.591666  1
  Mg  Mg111  1  0.831149  0.665797  0.569048  1
  Mg  Mg112  1  0.204131  0.704711  0.546986  1
  Mg  Mg113  1  0.537595  0.371280  0.546995  1
  Mg  Mg114  1  0.870678  0.038014  0.546877  1
  Mg  Mg115  1  0.125503  0.959369  0.591640  1
  Mg  Mg116  1  0.164967  0.331922  0.568946  1
  Mg  Mg117  1  0.498505  0.998480  0.569267  1
  Mg  Mg118  1  0.292440  0.792588  0.591800  1
  Mg  Mg119  1  0.625814  0.459247  0.591869  1
  Mg  Mg120  1  0.664931  0.831914  0.569404  1
  Mg  Mg121  1  0.037544  0.871232  0.546931  1
  Mg  Mg122  1  0.371030  0.537787  0.546982  1
  Mg  Mg123  1  0.704257  0.204462  0.546934  1
  Mg  Mg124  1  0.958883  0.125887  0.591527  1
  Mg  Mg125  1  0.998035  0.498932  0.568918  1
  Mg  Mg126  1  0.332018  0.164926  0.569013  1
  Mg  Mg127  1  0.478517  0.812196  0.580672  1
  Mg  Mg128  1  0.811673  0.478923  0.580422  1
  Mg  Mg129  1  0.851046  0.851743  0.557972  1
  Mg  Mg130  1  0.223850  0.890867  0.535845  1
  Mg  Mg131  1  0.439321  0.439634  0.602919  1
  Mg  Mg132  1  0.890388  0.224190  0.535701  1
  Mg  Mg133  1  0.145226  0.145356  0.580288  1
  Mg  Mg134  1  0.184558  0.518213  0.557942  1
  Mg  Mg135  1  0.517964  0.184884  0.558040  1
  Mg  Mg136  1  0.340599  0.509284  0.658038  1
  Mg  Mg137  1  0.674037  0.176530  0.658148  1
  Mg  Mg138  1  0.713398  0.547866  0.636128  1
  Mg  Mg139  1  0.086360  0.586935  0.613693  1
  Mg  Mg140  1  0.419794  0.253482  0.613886  1
  Mg  Mg141  1  0.753263  0.920131  0.613888  1
  Mg  Mg142  1  0.007205  0.843100  0.657912  1
  Mg  Mg143  1  0.046180  0.214842  0.635522  1
  Mg  Mg144  1  0.379593  0.881331  0.636113  1
  Mg  Mg145  1  0.175816  0.674375  0.657921  1
  Mg  Mg146  1  0.508953  0.340936  0.658083  1
  Mg  Mg147  1  0.547818  0.713119  0.636045  1
  Mg  Mg148  1  0.919704  0.753838  0.613738  1
  Mg  Mg149  1  0.252957  0.420058  0.613793  1
  Mg  Mg150  1  0.586439  0.087056  0.613906  1
  Mg  Mg151  1  0.842603  0.007846  0.658128  1
  Mg  Mg152  1  0.880919  0.379992  0.635737  1
  Mg  Mg153  1  0.214427  0.046391  0.635785  1
  Mg  Mg154  1  0.360499  0.693933  0.647382  1
  Mg  Mg155  1  0.694130  0.360725  0.647544  1
  Mg  Mg156  1  0.733257  0.733399  0.625381  1
  Mg  Mg157  1  0.106015  0.773171  0.602892  1
  Mg  Mg158  1  0.320086  0.321617  0.668800  1
  Mg  Mg159  1  0.772418  0.106157  0.602827  1
  Mg  Mg160  1  0.026630  0.027423  0.647180  1
  Mg  Mg161  1  0.065921  0.400771  0.624336  1
  Mg  Mg162  1  0.400400  0.066351  0.624963  1
  Mg  Mg163  1  0.221875  0.389752  0.724628  1
  Mg  Mg164  1  0.554835  0.055109  0.725205  1
  Mg  Mg165  1  0.596273  0.429424  0.703452  1
  Mg  Mg166  1  0.967162  0.472072  0.678240  1
  Mg  Mg167  1  0.301913  0.136222  0.680180  1
  Mg  Mg168  1  0.635534  0.802046  0.681143  1
  Mg  Mg169  1  0.888875  0.720139  0.725318  1
  Mg  Mg170  1  0.930910  0.097558  0.703887  1
  Mg  Mg171  1  0.263033  0.763271  0.703328  1
  Mg  Mg172  1  0.054439  0.557548  0.724438  1
  Mg  Mg173  1  0.385888  0.222075  0.725300  1
  Mg  Mg174  1  0.429017  0.596034  0.703442  1
  Mg  Mg175  1  0.802553  0.634708  0.681480  1
  Mg  Mg176  1  0.136354  0.302882  0.678045  1
  Mg  Mg177  1  0.468777  0.969019  0.681042  1
  Mg  Mg178  1  0.721657  0.888932  0.725105  1
  Mg  Mg179  1  0.764152  0.264056  0.703842  1
  Mg  Mg180  1  0.096297  0.930850  0.703407  1
  Mg  Mg181  1  0.241750  0.576293  0.714186  1
  Mg  Mg182  1  0.575960  0.242947  0.714358  1
  Mg  Mg183  1  0.615826  0.615874  0.692575  1
  Mg  Mg184  1  0.987913  0.655069  0.668450  1
  Mg  Mg185  1  0.192028  0.201633  0.734351  1
  Mg  Mg186  1  0.654643  0.988474  0.668530  1
  Mg  Mg187  1  0.909505  0.909802  0.714265  1
  Mg  Mg188  1  0.949004  0.281133  0.690729  1
  Mg  Mg189  1  0.282434  0.951673  0.693121  1
  Al  Al190  1  0.743965  0.077563  0.335187  1
  Al  Al191  1  0.192710  0.860594  0.275640  1
  Al  Al192  1  0.116663  0.115782  0.315124  1
  Al  Al193  1  0.491381  0.157415  0.293873  1
  Al  Al194  1  0.822754  0.823794  0.294175  1
  Al  Al195  1  0.156964  0.490999  0.294019  1
  Al  Al196  1  0.525215  0.527486  0.275052  1
  Al  Al197  1  0.449611  0.783227  0.315616  1
  Al  Al198  1  0.782676  0.450585  0.315629  1
  Al  Al199  1  0.626016  0.959807  0.401941  1
  Al  Al200  1  0.077312  0.744022  0.335544  1
  Al  Al201  1  0.997931  0.999844  0.380151  1
  Al  Al202  1  0.371929  0.038798  0.357455  1
  Al  Al203  1  0.704915  0.705357  0.357440  1
  Al  Al204  1  0.037956  0.371454  0.357105  1
  Al  Al205  1  0.410262  0.411227  0.335392  1
  Al  Al206  1  0.331903  0.665777  0.380740  1
  Al  Al207  1  0.666281  0.331642  0.380162  1
  Al  Al208  1  0.508355  0.842021  0.468832  1
  Al  Al209  1  0.959436  0.626433  0.401964  1
  Al  Al210  1  0.880734  0.881229  0.446453  1
  Al  Al211  1  0.253483  0.920744  0.424394  1
  Al  Al212  1  0.586993  0.587210  0.424447  1
  Al  Al213  1  0.920374  0.253757  0.424136  1
  Al  Al214  1  0.292781  0.293044  0.401874  1
  Al  Al215  1  0.214119  0.547784  0.446475  1
  Al  Al216  1  0.547601  0.214490  0.446424  1
  Al  Al217  1  0.390568  0.724195  0.535909  1
  Al  Al218  1  0.841629  0.508635  0.468697  1
  Al  Al219  1  0.762943  0.763552  0.513387  1
  Al  Al220  1  0.135604  0.802798  0.491205  1
  Al  Al221  1  0.469126  0.469258  0.491236  1
  Al  Al222  1  0.802300  0.136040  0.491122  1
  Al  Al223  1  0.174977  0.175303  0.468621  1
  Al  Al224  1  0.096409  0.430095  0.513237  1
  Al  Al225  1  0.429879  0.096683  0.513357  1
  Al  Al226  1  0.272766  0.606382  0.602467  1
  Al  Al227  1  0.723792  0.390847  0.535793  1
  Al  Al228  1  0.645252  0.645642  0.580395  1
  Al  Al229  1  0.017854  0.685105  0.557957  1
  Al  Al230  1  0.351334  0.351549  0.557990  1
  Al  Al231  1  0.684502  0.018229  0.558065  1
  Al  Al232  1  0.057138  0.057506  0.535705  1
  Al  Al233  1  0.978423  0.312326  0.580007  1
  Al  Al234  1  0.312093  0.978753  0.580263  1
  Al  Al235  1  0.154787  0.488888  0.668693  1
  Al  Al236  1  0.606057  0.273150  0.602555  1
  Al  Al237  1  0.527571  0.527608  0.647281  1
  Al  Al238  1  0.898967  0.568149  0.624148  1
  Al  Al239  1  0.233942  0.232963  0.624142  1
  Al  Al240  1  0.566662  0.900039  0.624948  1
  Al  Al241  1  0.939280  0.939839  0.602426  1
  Al  Al242  1  0.860242  0.194010  0.646908  1
  Al  Al243  1  0.194251  0.861329  0.647249  1
  Al  Al244  1  0.035603  0.374750  0.728631  1
  Al  Al245  1  0.487747  0.155604  0.669148  1
  Al  Al246  1  0.407447  0.407440  0.710438  1
  Al  Al247  1  0.783493  0.449078  0.689288  1
  Al  Al248  1  0.115120  0.116392  0.688647  1
  Al  Al249  1  0.448899  0.782742  0.689173  1
  Al  Al250  1  0.821868  0.821871  0.669042  1
  Al  Al251  1  0.741828  0.075558  0.710296  1
  Al  Al252  1  0.074754  0.742857  0.710098  1
