# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.27430576
_cell_length_b   15.60599674
_cell_length_c   47.30373683
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg144 Al48'
_cell_volume   8335.0568426
_cell_formula_units_Z   48
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  0.970158  0.228429  0.287879  1
  Mg  Mg2  1  0.470158  0.228429  0.287879  1
  Mg  Mg3  1  0.412435  0.612981  0.271120  1
  Mg  Mg4  1  0.532417  0.853014  0.304563  1
  Mg  Mg5  1  0.912435  0.612981  0.271120  1
  Mg  Mg6  1  0.032417  0.853014  0.304563  1
  Mg  Mg7  1  0.937956  0.416240  0.279444  1
  Mg  Mg8  1  0.437956  0.416240  0.279444  1
  Mg  Mg9  1  0.068965  0.679838  0.322242  1
  Mg  Mg10  1  0.501029  0.040453  0.297279  1
  Mg  Mg11  1  0.568965  0.679838  0.322242  1
  Mg  Mg12  1  1.001029  0.040453  0.297279  1
  Mg  Mg13  1  0.190144  0.416162  0.279448  1
  Mg  Mg14  1  0.690144  0.416162  0.279448  1
  Mg  Mg15  1  0.322713  0.679817  0.322242  1
  Mg  Mg16  1  0.751301  0.040415  0.297280  1
  Mg  Mg17  1  0.822713  0.679817  0.322242  1
  Mg  Mg18  1  0.251301  0.040415  0.297280  1
  Mg  Mg19  1  0.671216  0.130657  0.347272  1
  Mg  Mg20  1  0.171216  0.130657  0.347272  1
  Mg  Mg21  1  0.104101  0.496380  0.330021  1
  Mg  Mg22  1  0.240693  0.769662  0.368866  1
  Mg  Mg23  1  0.604101  0.496380  0.330021  1
  Mg  Mg24  1  0.740693  0.769662  0.368866  1
  Mg  Mg25  1  0.637340  0.315732  0.338098  1
  Mg  Mg26  1  0.137340  0.315732  0.338098  1
  Mg  Mg27  1  0.773803  0.586634  0.378493  1
  Mg  Mg28  1  0.203637  0.948444  0.356138  1
  Mg  Mg29  1  0.273803  0.586634  0.378493  1
  Mg  Mg30  1  0.703637  0.948444  0.356138  1
  Mg  Mg31  1  0.890198  0.315731  0.338094  1
  Mg  Mg32  1  0.390198  0.315731  0.338094  1
  Mg  Mg33  1  0.024485  0.586635  0.378487  1
  Mg  Mg34  1  0.456550  0.948441  0.356133  1
  Mg  Mg35  1  0.524485  0.586635  0.378487  1
  Mg  Mg36  1  0.956550  0.948441  0.356133  1
  Mg  Mg37  1  0.375757  0.039807  0.405375  1
  Mg  Mg38  1  0.875757  0.039807  0.405375  1
  Mg  Mg39  1  0.807874  0.404056  0.387181  1
  Mg  Mg40  1  0.944637  0.677644  0.427051  1
  Mg  Mg41  1  0.307874  0.404056  0.387181  1
  Mg  Mg42  1  0.444637  0.677644  0.427051  1
  Mg  Mg43  1  0.341760  0.222009  0.396198  1
  Mg  Mg44  1  0.841760  0.222009  0.396198  1
  Mg  Mg45  1  0.477994  0.494751  0.436795  1
  Mg  Mg46  1  0.910935  0.860385  0.416832  1
  Mg  Mg47  1  0.977994  0.494751  0.436795  1
  Mg  Mg48  1  0.410935  0.860385  0.416832  1
  Mg  Mg49  1  0.591939  0.222005  0.396200  1
  Mg  Mg50  1  0.091939  0.222005  0.396200  1
  Mg  Mg51  1  0.728382  0.494748  0.436796  1
  Mg  Mg52  1  0.161122  0.860377  0.416833  1
  Mg  Mg53  1  0.228382  0.494748  0.436796  1
  Mg  Mg54  1  0.661122  0.860377  0.416833  1
  Mg  Mg55  1  0.080727  0.949834  0.465846  1
  Mg  Mg56  1  0.580727  0.949834  0.465846  1
  Mg  Mg57  1  0.512008  0.312388  0.446018  1
  Mg  Mg58  1  0.648642  0.585716  0.485861  1
  Mg  Mg59  1  0.012008  0.312388  0.446018  1
  Mg  Mg60  1  0.148642  0.585716  0.485861  1
  Mg  Mg61  1  0.045956  0.130608  0.455335  1
  Mg  Mg62  1  0.545956  0.130608  0.455335  1
  Mg  Mg63  1  0.182553  0.403555  0.495493  1
  Mg  Mg64  1  0.614875  0.768115  0.475935  1
  Mg  Mg65  1  0.682553  0.403555  0.495493  1
  Mg  Mg66  1  0.114875  0.768115  0.475935  1
  Mg  Mg67  1  0.296281  0.130606  0.455334  1
  Mg  Mg68  1  0.796281  0.130606  0.455334  1
  Mg  Mg69  1  0.432569  0.403558  0.495492  1
  Mg  Mg70  1  0.864829  0.768117  0.475934  1
  Mg  Mg71  1  0.932569  0.403558  0.495492  1
  Mg  Mg72  1  0.364829  0.768117  0.475934  1
  Mg  Mg73  1  0.785041  0.858544  0.524922  1
  Mg  Mg74  1  0.285041  0.858544  0.524922  1
  Mg  Mg75  1  0.216594  0.221614  0.504866  1
  Mg  Mg76  1  0.353143  0.494783  0.544822  1
  Mg  Mg77  1  0.716594  0.221614  0.504866  1
  Mg  Mg78  1  0.853143  0.494783  0.544822  1
  Mg  Mg79  1  0.750955  0.040231  0.514857  1
  Mg  Mg80  1  0.250955  0.040231  0.514857  1
  Mg  Mg81  1  0.887087  0.312554  0.554357  1
  Mg  Mg82  1  0.318944  0.676495  0.534984  1
  Mg  Mg83  1  0.387087  0.312554  0.554357  1
  Mg  Mg84  1  0.818944  0.676495  0.534984  1
  Mg  Mg85  1  1.000837  0.040229  0.514857  1
  Mg  Mg86  1  0.500837  0.040229  0.514857  1
  Mg  Mg87  1  0.136974  0.312554  0.554359  1
  Mg  Mg88  1  0.569068  0.676495  0.534985  1
  Mg  Mg89  1  0.636974  0.312554  0.554359  1
  Mg  Mg90  1  0.069068  0.676495  0.534985  1
  Mg  Mg91  1  0.489148  0.766834  0.583990  1
  Mg  Mg92  1  0.989148  0.766834  0.583990  1
  Mg  Mg93  1  0.921216  0.130926  0.564080  1
  Mg  Mg94  1  0.057542  0.403645  0.603860  1
  Mg  Mg95  1  0.421216  0.130926  0.564080  1
  Mg  Mg96  1  0.557542  0.403645  0.603860  1
  Mg  Mg97  1  0.455229  0.948715  0.574024  1
  Mg  Mg98  1  0.955229  0.948715  0.574024  1
  Mg  Mg99  1  0.591693  0.221618  0.613428  1
  Mg  Mg100  1  0.023673  0.585581  0.594322  1
  Mg  Mg101  1  0.091693  0.221618  0.613428  1
  Mg  Mg102  1  0.523673  0.585581  0.594322  1
  Mg  Mg103  1  0.704980  0.948717  0.574025  1
  Mg  Mg104  1  0.204980  0.948717  0.574025  1
  Mg  Mg105  1  0.841373  0.221625  0.613426  1
  Mg  Mg106  1  0.273357  0.585584  0.594321  1
  Mg  Mg107  1  0.341373  0.221625  0.613426  1
  Mg  Mg108  1  0.773357  0.585584  0.594321  1
  Mg  Mg109  1  0.194331  0.677295  0.643199  1
  Mg  Mg110  1  0.694331  0.677295  0.643199  1
  Mg  Mg111  1  0.625670  0.039889  0.622974  1
  Mg  Mg112  1  0.762368  0.313389  0.662152  1
  Mg  Mg113  1  0.125670  0.039889  0.622974  1
  Mg  Mg114  1  0.262368  0.313389  0.662152  1
  Mg  Mg115  1  0.158815  0.856526  0.632988  1
  Mg  Mg116  1  0.658815  0.856526  0.632988  1
  Mg  Mg117  1  0.297093  0.130231  0.671539  1
  Mg  Mg118  1  0.728537  0.493369  0.652729  1
  Mg  Mg119  1  0.797093  0.130231  0.671539  1
  Mg  Mg120  1  0.228537  0.493369  0.652729  1
  Mg  Mg121  1  0.409132  0.856538  0.632989  1
  Mg  Mg122  1  0.909132  0.856538  0.632989  1
  Mg  Mg123  1  0.544527  0.130228  0.671545  1
  Mg  Mg124  1  0.976178  0.493372  0.652731  1
  Mg  Mg125  1  0.044527  0.130228  0.671545  1
  Mg  Mg126  1  0.476178  0.493372  0.652731  1
  Mg  Mg127  1  0.898188  0.585160  0.702475  1
  Mg  Mg128  1  0.398188  0.585160  0.702475  1
  Mg  Mg129  1  0.330369  0.949365  0.680811  1
  Mg  Mg130  1  0.464948  0.218505  0.721674  1
  Mg  Mg131  1  0.830369  0.949365  0.680811  1
  Mg  Mg132  1  0.964948  0.218505  0.721674  1
  Mg  Mg133  1  0.865683  0.770087  0.693644  1
  Mg  Mg134  1  0.365683  0.770087  0.693644  1
  Mg  Mg135  1  0.997134  0.032047  0.730442  1
  Mg  Mg136  1  0.431757  0.402085  0.712076  1
  Mg  Mg137  1  0.497134  0.032047  0.730442  1
  Mg  Mg138  1  0.931757  0.402085  0.712076  1
  Mg  Mg139  1  0.115658  0.770089  0.693646  1
  Mg  Mg140  1  0.615658  0.770089  0.693646  1
  Mg  Mg141  1  0.246502  0.032123  0.730446  1
  Mg  Mg142  1  0.681600  0.402106  0.712078  1
  Mg  Mg143  1  0.746502  0.032123  0.730446  1
  Mg  Mg144  1  0.181600  0.402106  0.712078  1
  Al  Al145  1  0.720486  0.229078  0.292046  1
  Al  Al146  1  0.220486  0.229078  0.292046  1
  Al  Al147  1  0.156078  0.600203  0.276649  1
  Al  Al148  1  0.283175  0.854528  0.309852  1
  Al  Al149  1  0.656078  0.600203  0.276649  1
  Al  Al150  1  0.783175  0.854528  0.309852  1
  Al  Al151  1  0.421633  0.131494  0.346926  1
  Al  Al152  1  0.921633  0.131494  0.346926  1
  Al  Al153  1  0.854651  0.497498  0.329646  1
  Al  Al154  1  0.991078  0.770440  0.369011  1
  Al  Al155  1  0.354651  0.497498  0.329646  1
  Al  Al156  1  0.491078  0.770440  0.369011  1
  Al  Al157  1  0.126039  0.040377  0.406023  1
  Al  Al158  1  0.626039  0.040377  0.406023  1
  Al  Al159  1  0.557897  0.404104  0.387751  1
  Al  Al160  1  0.694539  0.677449  0.427147  1
  Al  Al161  1  0.057897  0.404104  0.387751  1
  Al  Al162  1  0.194539  0.677449  0.427147  1
  Al  Al163  1  0.830810  0.950001  0.465636  1
  Al  Al164  1  0.330810  0.950001  0.465636  1
  Al  Al165  1  0.262045  0.312458  0.445997  1
  Al  Al166  1  0.398658  0.585749  0.485877  1
  Al  Al167  1  0.762045  0.312458  0.445997  1
  Al  Al168  1  0.898658  0.585749  0.485877  1
  Al  Al169  1  0.534987  0.858434  0.524934  1
  Al  Al170  1  0.034987  0.858434  0.524934  1
  Al  Al171  1  0.966634  0.221695  0.504937  1
  Al  Al172  1  0.103037  0.494572  0.544825  1
  Al  Al173  1  0.466634  0.221695  0.504937  1
  Al  Al174  1  0.603037  0.494572  0.544825  1
  Al  Al175  1  0.239220  0.766977  0.584018  1
  Al  Al176  1  0.739220  0.766977  0.584018  1
  Al  Al177  1  0.671204  0.130903  0.564021  1
  Al  Al178  1  0.807447  0.403454  0.603462  1
  Al  Al179  1  0.171204  0.130903  0.564021  1
  Al  Al180  1  0.307447  0.403454  0.603462  1
  Al  Al181  1  0.943799  0.676234  0.643307  1
  Al  Al182  1  0.443799  0.676234  0.643307  1
  Al  Al183  1  0.375378  0.039302  0.622635  1
  Al  Al184  1  0.511738  0.312113  0.662347  1
  Al  Al185  1  0.875378  0.039302  0.622635  1
  Al  Al186  1  0.011738  0.312113  0.662347  1
  Al  Al187  1  0.647283  0.583329  0.698680  1
  Al  Al188  1  0.147283  0.583329  0.698680  1
  Al  Al189  1  0.080492  0.949559  0.680485  1
  Al  Al190  1  0.214187  0.216994  0.717597  1
  Al  Al191  1  0.580492  0.949559  0.680485  1
  Al  Al192  1  0.714187  0.216994  0.717597  1
