# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.16215185
_cell_length_b   15.42244134
_cell_length_c   49.36834294
_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   8517.98293035
_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  0.359688  0.189367  0.298760  1
  Mg  Mg2  1  0.864340  0.189215  0.298787  1
  Mg  Mg3  1  0.925832  0.817423  0.315518  1
  Mg  Mg4  1  0.498873  0.455157  0.338453  1
  Mg  Mg5  1  0.426135  0.817917  0.316972  1
  Mg  Mg6  1  0.797291  0.559871  0.280763  1
  Mg  Mg7  1  0.329959  0.378865  0.291623  1
  Mg  Mg8  1  0.824743  0.370188  0.290135  1
  Mg  Mg9  1  0.894072  0.004098  0.307762  1
  Mg  Mg10  1  0.457134  0.632871  0.325879  1
  Mg  Mg11  1  0.393444  0.004391  0.307970  1
  Mg  Mg12  1  0.962059  0.640724  0.328510  1
  Mg  Mg13  1  0.580412  0.370213  0.290127  1
  Mg  Mg14  1  0.083493  0.378433  0.291591  1
  Mg  Mg15  1  0.144961  0.004073  0.307761  1
  Mg  Mg16  1  0.712912  0.640726  0.328521  1
  Mg  Mg17  1  0.645826  0.004305  0.307949  1
  Mg  Mg18  1  0.209968  0.633061  0.325950  1
  Mg  Mg19  1  0.562587  0.091793  0.355094  1
  Mg  Mg20  1  0.062620  0.091847  0.355002  1
  Mg  Mg21  1  0.133797  0.728365  0.373581  1
  Mg  Mg22  1  0.698792  0.367212  0.391682  1
  Mg  Mg23  1  0.626492  0.728362  0.373482  1
  Mg  Mg24  1  0.990338  0.455127  0.338425  1
  Mg  Mg25  1  0.529130  0.274710  0.345755  1
  Mg  Mg26  1  0.028681  0.276136  0.346434  1
  Mg  Mg27  1  0.095303  0.909496  0.363048  1
  Mg  Mg28  1  0.666378  0.549748  0.383626  1
  Mg  Mg29  1  0.596106  0.911321  0.363537  1
  Mg  Mg30  1  0.164576  0.547633  0.382928  1
  Mg  Mg31  1  0.779491  0.274857  0.345820  1
  Mg  Mg32  1  0.281378  0.276273  0.346493  1
  Mg  Mg33  1  0.347958  0.911411  0.363619  1
  Mg  Mg34  1  0.914754  0.549672  0.383615  1
  Mg  Mg35  1  0.846876  0.909701  0.363082  1
  Mg  Mg36  1  0.414485  0.547709  0.382941  1
  Mg  Mg37  1  0.765559  1.001175  0.409643  1
  Mg  Mg38  1  0.264559  1.001157  0.409630  1
  Mg  Mg39  1  0.332880  0.638231  0.428977  1
  Mg  Mg40  1  0.899760  0.273201  0.448364  1
  Mg  Mg41  1  0.833151  0.638427  0.429768  1
  Mg  Mg42  1  0.198001  0.365556  0.392851  1
  Mg  Mg43  1  0.732149  0.183907  0.401234  1
  Mg  Mg44  1  0.231450  0.183067  0.401500  1
  Mg  Mg45  1  0.299906  0.819917  0.419684  1
  Mg  Mg46  1  0.865822  0.455618  0.439063  1
  Mg  Mg47  1  0.797807  0.818719  0.419429  1
  Mg  Mg48  1  0.366478  0.456249  0.439075  1
  Mg  Mg49  1  0.981441  0.183041  0.401450  1
  Mg  Mg50  1  0.481533  0.183897  0.401190  1
  Mg  Mg51  1  0.548421  0.819862  0.419588  1
  Mg  Mg52  1  0.116595  0.456265  0.439067  1
  Mg  Mg53  1  0.049418  0.818782  0.419465  1
  Mg  Mg54  1  0.616784  0.455723  0.439070  1
  Mg  Mg55  1  0.966230  0.907980  0.466087  1
  Mg  Mg56  1  0.466622  0.908531  0.466446  1
  Mg  Mg57  1  0.533955  0.545194  0.485526  1
  Mg  Mg58  1  0.100839  0.180641  0.503818  1
  Mg  Mg59  1  0.033955  0.545184  0.485587  1
  Mg  Mg60  1  0.399596  0.273262  0.448400  1
  Mg  Mg61  1  0.932869  0.090262  0.456937  1
  Mg  Mg62  1  0.432508  0.090393  0.456752  1
  Mg  Mg63  1  0.500077  0.726778  0.475645  1
  Mg  Mg64  1  0.067622  0.363525  0.494895  1
  Mg  Mg65  1  1.000735  0.727098  0.475839  1
  Mg  Mg66  1  0.568199  0.363953  0.494942  1
  Mg  Mg67  1  0.182749  0.090207  0.456987  1
  Mg  Mg68  1  0.683252  0.090452  0.456809  1
  Mg  Mg69  1  0.750096  0.727071  0.475821  1
  Mg  Mg70  1  0.317765  0.363648  0.494973  1
  Mg  Mg71  1  0.250473  0.726795  0.475763  1
  Mg  Mg72  1  0.817639  0.363825  0.494952  1
  Mg  Mg73  1  0.167820  0.816447  0.522035  1
  Mg  Mg74  1  0.667712  0.816459  0.521968  1
  Mg  Mg75  1  0.735780  0.453879  0.541888  1
  Mg  Mg76  1  0.302130  0.088018  0.559282  1
  Mg  Mg77  1  0.234975  0.453285  0.541478  1
  Mg  Mg78  1  0.600890  0.180999  0.503356  1
  Mg  Mg79  1  0.133796  0.998007  0.512767  1
  Mg  Mg80  1  0.634291  0.998445  0.512736  1
  Mg  Mg81  1  0.700920  0.634434  0.531858  1
  Mg  Mg82  1  0.268897  0.270708  0.550589  1
  Mg  Mg83  1  0.201551  0.634800  0.532009  1
  Mg  Mg84  1  0.768613  0.270812  0.550394  1
  Mg  Mg85  1  0.384132  0.998410  0.512684  1
  Mg  Mg86  1  0.884230  0.998151  0.512703  1
  Mg  Mg87  1  0.951649  0.634526  0.531875  1
  Mg  Mg88  1  0.518756  0.270968  0.550356  1
  Mg  Mg89  1  0.451137  0.634636  0.531829  1
  Mg  Mg90  1  0.018131  0.270568  0.550462  1
  Mg  Mg91  1  0.369240  0.723557  0.578561  1
  Mg  Mg92  1  0.868776  0.723375  0.577896  1
  Mg  Mg93  1  0.936544  0.360737  0.597577  1
  Mg  Mg94  1  0.503696  0.996156  0.614266  1
  Mg  Mg95  1  0.437168  0.360692  0.597638  1
  Mg  Mg96  1  0.801790  0.087988  0.559292  1
  Mg  Mg97  1  0.335142  0.905056  0.568414  1
  Mg  Mg98  1  0.835693  0.905673  0.568460  1
  Mg  Mg99  1  0.904769  0.544333  0.588679  1
  Mg  Mg100  1  0.470591  0.178878  0.605875  1
  Mg  Mg101  1  0.402287  0.542784  0.588269  1
  Mg  Mg102  1  0.969800  0.177802  0.606058  1
  Mg  Mg103  1  0.585202  0.905093  0.568477  1
  Mg  Mg104  1  0.084998  0.905443  0.568580  1
  Mg  Mg105  1  0.154153  0.543364  0.588565  1
  Mg  Mg106  1  0.720654  0.178688  0.605947  1
  Mg  Mg107  1  0.653369  0.544135  0.588652  1
  Mg  Mg108  1  0.220354  0.177657  0.606203  1
  Mg  Mg109  1  0.567683  0.633548  0.634644  1
  Mg  Mg110  1  0.075253  0.634184  0.635162  1
  Mg  Mg111  1  0.138917  0.269229  0.652342  1
  Mg  Mg112  1  0.711690  0.906170  0.668939  1
  Mg  Mg113  1  0.639214  0.269360  0.652475  1
  Mg  Mg114  1  0.002698  0.994160  0.615462  1
  Mg  Mg115  1  0.536824  0.813271  0.624698  1
  Mg  Mg116  1  0.034530  0.810904  0.624229  1
  Mg  Mg117  1  0.105648  0.449958  0.643925  1
  Mg  Mg118  1  0.673153  0.085480  0.660721  1
  Mg  Mg119  1  0.606109  0.451290  0.644309  1
  Mg  Mg120  1  0.172378  0.086497  0.661359  1
  Mg  Mg121  1  0.786246  0.810980  0.623914  1
  Mg  Mg122  1  0.286918  0.812936  0.624547  1
  Mg  Mg123  1  0.352984  0.449747  0.643786  1
  Mg  Mg124  1  0.922095  0.087113  0.661179  1
  Mg  Mg125  1  0.854362  0.451224  0.644235  1
  Mg  Mg126  1  0.420613  0.085886  0.660619  1
  Mg  Mg127  1  0.775885  0.543989  0.691644  1
  Mg  Mg128  1  0.275822  0.544030  0.690559  1
  Mg  Mg129  1  0.340707  0.170551  0.708535  1
  Mg  Mg130  1  0.898896  0.804559  0.726968  1
  Mg  Mg131  1  0.836731  0.172047  0.708359  1
  Mg  Mg132  1  0.203890  0.906377  0.668667  1
  Mg  Mg133  1  0.738888  0.722506  0.679926  1
  Mg  Mg134  1  0.246143  0.731814  0.682998  1
  Mg  Mg135  1  0.307414  0.356005  0.699474  1
  Mg  Mg136  1  0.876165  0.991098  0.716420  1
  Mg  Mg137  1  0.807372  0.357062  0.699664  1
  Mg  Mg138  1  0.372430  0.981252  0.714996  1
  Mg  Mg139  1  0.992156  0.724605  0.680996  1
  Mg  Mg140  1  0.494224  0.731387  0.682963  1
  Mg  Mg141  1  0.556321  0.356255  0.699691  1
  Mg  Mg142  1  0.120138  0.986683  0.716362  1
  Mg  Mg143  1  0.055952  0.356114  0.699499  1
  Mg  Mg144  1  0.617516  0.981284  0.715146  1
  Al  Al145  1  0.611164  0.187424  0.302922  1
  Al  Al146  1  0.113430  0.191912  0.303376  1
  Al  Al147  1  0.178023  0.819565  0.320367  1
  Al  Al148  1  0.552203  0.546068  0.286415  1
  Al  Al149  1  0.675861  0.819506  0.320314  1
  Al  Al150  1  0.028584  0.545912  0.286442  1
  Al  Al151  1  0.813487  0.093101  0.353678  1
  Al  Al152  1  0.312829  0.093090  0.353671  1
  Al  Al153  1  0.380470  0.729003  0.372183  1
  Al  Al154  1  0.746802  0.459563  0.335491  1
  Al  Al155  1  0.881839  0.731711  0.373230  1
  Al  Al156  1  0.244391  0.455022  0.338087  1
  Al  Al157  1  0.014398  0.999767  0.410368  1
  Al  Al158  1  0.515206  1.001340  0.410653  1
  Al  Al159  1  0.582196  0.637368  0.429636  1
  Al  Al160  1  0.948035  0.365930  0.393225  1
  Al  Al161  1  0.082874  0.637357  0.429695  1
  Al  Al162  1  0.448394  0.365984  0.393249  1
  Al  Al163  1  0.216720  0.908751  0.465965  1
  Al  Al164  1  0.716583  0.908782  0.465928  1
  Al  Al165  1  0.784237  0.545682  0.485548  1
  Al  Al166  1  0.149698  0.273261  0.448285  1
  Al  Al167  1  0.284104  0.545709  0.485319  1
  Al  Al168  1  0.649878  0.273629  0.447732  1
  Al  Al169  1  0.417589  0.815869  0.522286  1
  Al  Al170  1  0.917503  0.815920  0.522145  1
  Al  Al171  1  0.985463  0.453402  0.541890  1
  Al  Al172  1  0.350744  0.180634  0.503726  1
  Al  Al173  1  0.485344  0.453373  0.541855  1
  Al  Al174  1  0.850700  0.180576  0.503704  1
  Al  Al175  1  0.618768  0.724179  0.577869  1
  Al  Al176  1  0.119569  0.724295  0.578050  1
  Al  Al177  1  0.186293  0.360011  0.596734  1
  Al  Al178  1  0.552229  0.088529  0.559085  1
  Al  Al179  1  0.687342  0.361568  0.597019  1
  Al  Al180  1  0.052008  0.087983  0.559630  1
  Al  Al181  1  0.821221  0.631790  0.635567  1
  Al  Al182  1  0.322201  0.634508  0.636466  1
  Al  Al183  1  0.388853  0.268621  0.653695  1
  Al  Al184  1  0.753239  0.994716  0.614461  1
  Al  Al185  1  0.888540  0.268881  0.653613  1
  Al  Al186  1  0.252905  0.994721  0.614385  1
  Al  Al187  1  0.024918  0.539705  0.686897  1
  Al  Al188  1  0.522095  0.539262  0.686740  1
  Al  Al189  1  0.587328  0.167609  0.704020  1
  Al  Al190  1  0.955120  0.903340  0.670618  1
  Al  Al191  1  0.089306  0.170929  0.704437  1
  Al  Al192  1  0.458428  0.907946  0.668133  1
