# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.45249020
_cell_length_b   15.46973623
_cell_length_c   46.79888147
_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   10644.3518501
_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  0.938611  0.102666  0.319501  1
  Mg  Mg2  1  0.272592  0.768550  0.322523  1
  Mg  Mg3  1  0.311844  0.142663  0.298395  1
  Mg  Mg4  1  0.681110  0.178996  0.276448  1
  Mg  Mg5  1  0.017530  0.851005  0.277008  1
  Mg  Mg6  1  0.351739  0.517072  0.276649  1
  Mg  Mg7  1  0.606915  0.434924  0.322724  1
  Mg  Mg8  1  0.643806  0.807571  0.298319  1
  Mg  Mg9  1  0.978592  0.476751  0.298318  1
  Mg  Mg10  1  0.770696  0.270705  0.319489  1
  Mg  Mg11  1  0.103017  0.938968  0.322591  1
  Mg  Mg12  1  0.145189  0.310264  0.298294  1
  Mg  Mg13  1  0.520296  0.348489  0.277020  1
  Mg  Mg14  1  0.848210  0.011877  0.276402  1
  Mg  Mg15  1  0.186391  0.682763  0.276699  1
  Mg  Mg16  1  0.436607  0.604624  0.322344  1
  Mg  Mg17  1  0.476015  0.975461  0.298280  1
  Mg  Mg18  1  0.811114  0.643457  0.298433  1
  Mg  Mg19  1  0.959048  0.290939  0.309407  1
  Mg  Mg20  1  0.291058  0.956552  0.310096  1
  Mg  Mg21  1  0.333661  0.330997  0.287333  1
  Mg  Mg22  1  0.586737  0.249611  0.332845  1
  Mg  Mg23  1  0.918132  0.918233  0.332840  1
  Mg  Mg24  1  0.252420  0.583878  0.332836  1
  Mg  Mg25  1  0.624670  0.622910  0.310095  1
  Mg  Mg26  1  0.663181  0.994322  0.287269  1
  Mg  Mg27  1  0.999855  0.664826  0.287348  1
  Mg  Mg28  1  0.819961  0.986267  0.387827  1
  Mg  Mg29  1  0.153990  0.653595  0.387902  1
  Mg  Mg30  1  0.195039  0.025303  0.366358  1
  Mg  Mg31  1  0.565987  0.062736  0.343368  1
  Mg  Mg32  1  0.900620  0.730360  0.343514  1
  Mg  Mg33  1  0.233748  0.396820  0.343439  1
  Mg  Mg34  1  0.487952  0.320117  0.387826  1
  Mg  Mg35  1  0.527428  0.692160  0.366103  1
  Mg  Mg36  1  0.859918  0.357957  0.365332  1
  Mg  Mg37  1  0.654164  0.151990  0.387832  1
  Mg  Mg38  1  0.987944  0.820059  0.387882  1
  Mg  Mg39  1  0.025794  0.192081  0.365314  1
  Mg  Mg40  1  0.398809  0.232145  0.343462  1
  Mg  Mg41  1  0.731199  0.897498  0.343384  1
  Mg  Mg42  1  0.065241  0.565322  0.343424  1
  Mg  Mg43  1  0.321350  0.486093  0.387959  1
  Mg  Mg44  1  0.359923  0.859740  0.366149  1
  Mg  Mg45  1  0.693076  0.527282  0.366398  1
  Mg  Mg46  1  0.839257  0.171603  0.375030  1
  Mg  Mg47  1  0.173745  0.839789  0.377153  1
  Mg  Mg48  1  0.213707  0.212184  0.354283  1
  Mg  Mg49  1  0.467914  0.133634  0.398824  1
  Mg  Mg50  1  0.801543  0.800018  0.398878  1
  Mg  Mg51  1  0.134318  0.466615  0.398647  1
  Mg  Mg52  1  0.507160  0.506319  0.377130  1
  Mg  Mg53  1  0.546228  0.878135  0.354013  1
  Mg  Mg54  1  0.880348  0.545509  0.354325  1
  Mg  Mg55  1  0.702250  0.868202  0.454779  1
  Mg  Mg56  1  0.035250  0.534573  0.454605  1
  Mg  Mg57  1  0.074703  0.908492  0.432667  1
  Mg  Mg58  1  0.448346  0.947555  0.409904  1
  Mg  Mg59  1  0.781926  0.614427  0.410189  1
  Mg  Mg60  1  0.114415  0.280389  0.409552  1
  Mg  Mg61  1  0.369714  0.201301  0.454866  1
  Mg  Mg62  1  0.408470  0.574326  0.433043  1
  Mg  Mg63  1  0.742147  0.240643  0.432013  1
  Mg  Mg64  1  0.535673  0.034815  0.454736  1
  Mg  Mg65  1  0.868777  0.702257  0.454931  1
  Mg  Mg66  1  0.908006  0.074876  0.432026  1
  Mg  Mg67  1  0.282206  0.114098  0.410144  1
  Mg  Mg68  1  0.615303  0.780556  0.409899  1
  Mg  Mg69  1  0.948190  0.446533  0.409612  1
  Mg  Mg70  1  0.202097  0.367963  0.454485  1
  Mg  Mg71  1  0.241596  0.741318  0.432993  1
  Mg  Mg72  1  0.575797  0.407563  0.432593  1
  Mg  Mg73  1  0.722122  0.054603  0.443834  1
  Mg  Mg74  1  0.055334  0.721712  0.443904  1
  Mg  Mg75  1  0.095286  0.094493  0.421510  1
  Mg  Mg76  1  0.349332  0.014747  0.466081  1
  Mg  Mg77  1  0.682046  0.682003  0.466091  1
  Mg  Mg78  1  0.015379  0.347660  0.465547  1
  Mg  Mg79  1  0.389338  0.387800  0.443905  1
  Mg  Mg80  1  0.428715  0.761221  0.421928  1
  Mg  Mg81  1  0.762028  0.427783  0.421521  1
  Mg  Mg82  1  0.582729  0.749468  0.522156  1
  Mg  Mg83  1  0.916028  0.415978  0.521562  1
  Mg  Mg84  1  0.956096  0.789442  0.499804  1
  Mg  Mg85  1  0.328946  0.828438  0.477818  1
  Mg  Mg86  1  0.662454  0.495189  0.477559  1
  Mg  Mg87  1  0.995409  0.161650  0.477173  1
  Mg  Mg88  1  0.249677  0.082740  0.521938  1
  Mg  Mg89  1  0.289169  0.455493  0.499554  1
  Mg  Mg90  1  0.622558  0.122143  0.499630  1
  Mg  Mg91  1  0.416344  0.915749  0.522164  1
  Mg  Mg92  1  0.749752  0.582761  0.521965  1
  Mg  Mg93  1  0.789046  0.955635  0.499684  1
  Mg  Mg94  1  0.162188  0.995400  0.477582  1
  Mg  Mg95  1  0.495395  0.661937  0.477842  1
  Mg  Mg96  1  0.828777  0.328221  0.477124  1
  Mg  Mg97  1  0.083138  0.248717  0.521707  1
  Mg  Mg98  1  0.122287  0.622115  0.499625  1
  Mg  Mg99  1  0.456294  0.288907  0.499821  1
  Mg  Mg100  1  0.602701  0.935856  0.510650  1
  Mg  Mg101  1  0.935867  0.603048  0.510467  1
  Mg  Mg102  1  0.975155  0.976075  0.488462  1
  Mg  Mg103  1  0.229402  0.896505  0.533610  1
  Mg  Mg104  1  0.563277  0.562846  0.533615  1
  Mg  Mg105  1  0.896144  0.229452  0.533073  1
  Mg  Mg106  1  0.269665  0.269160  0.510282  1
  Mg  Mg107  1  0.308651  0.642096  0.488771  1
  Mg  Mg108  1  0.642713  0.308386  0.488351  1
  Mg  Mg109  1  0.463916  0.630259  0.589532  1
  Mg  Mg110  1  0.797112  0.296905  0.589189  1
  Mg  Mg111  1  0.836925  0.670748  0.566400  1
  Mg  Mg112  1  0.208970  0.710072  0.544553  1
  Mg  Mg113  1  0.543413  0.376480  0.544562  1
  Mg  Mg114  1  0.875783  0.043574  0.544407  1
  Mg  Mg115  1  0.130702  0.964047  0.589766  1
  Mg  Mg116  1  0.170949  0.336513  0.565986  1
  Mg  Mg117  1  0.503693  0.003309  0.566566  1
  Mg  Mg118  1  0.296435  0.797311  0.589514  1
  Mg  Mg119  1  0.630331  0.464071  0.589600  1
  Mg  Mg120  1  0.670094  0.837206  0.566494  1
  Mg  Mg121  1  0.042895  0.877252  0.544645  1
  Mg  Mg122  1  0.376468  0.543036  0.544495  1
  Mg  Mg123  1  0.709834  0.209665  0.544295  1
  Mg  Mg124  1  0.963212  0.130949  0.589294  1
  Mg  Mg125  1  0.003319  0.504163  0.565898  1
  Mg  Mg126  1  0.337291  0.170859  0.566022  1
  Mg  Mg127  1  0.483417  0.816600  0.578298  1
  Mg  Mg128  1  0.817022  0.483405  0.577926  1
  Mg  Mg129  1  0.856332  0.856939  0.555494  1
  Mg  Mg130  1  0.110688  0.778633  0.600825  1
  Mg  Mg131  1  0.444171  0.445111  0.600677  1
  Mg  Mg132  1  0.776785  0.111643  0.600595  1
  Mg  Mg133  1  0.150880  0.149869  0.578209  1
  Mg  Mg134  1  0.189744  0.523002  0.555421  1
  Mg  Mg135  1  0.523747  0.189507  0.555559  1
  Mg  Mg136  1  0.345262  0.514114  0.656076  1
  Mg  Mg137  1  0.678132  0.180586  0.656126  1
  Mg  Mg138  1  0.717498  0.552071  0.634064  1
  Mg  Mg139  1  0.090583  0.591449  0.611493  1
  Mg  Mg140  1  0.424613  0.258468  0.611338  1
  Mg  Mg141  1  0.757559  0.924905  0.611441  1
  Mg  Mg142  1  0.011871  0.848522  0.656089  1
  Mg  Mg143  1  0.050356  0.219008  0.633702  1
  Mg  Mg144  1  0.383061  0.885716  0.633943  1
  Mg  Mg145  1  0.179692  0.680070  0.656088  1
  Mg  Mg146  1  0.513672  0.346936  0.655963  1
  Mg  Mg147  1  0.552628  0.716529  0.634081  1
  Mg  Mg148  1  0.923882  0.759028  0.611518  1
  Mg  Mg149  1  0.257245  0.424582  0.611577  1
  Mg  Mg150  1  0.590070  0.091059  0.611739  1
  Mg  Mg151  1  0.846332  0.013336  0.656035  1
  Mg  Mg152  1  0.885874  0.383208  0.633563  1
  Mg  Mg153  1  0.218974  0.050213  0.634628  1
  Mg  Mg154  1  0.364107  0.697820  0.644820  1
  Mg  Mg155  1  0.698216  0.364408  0.644887  1
  Mg  Mg156  1  0.737831  0.738907  0.622212  1
  Mg  Mg157  1  0.992270  0.661485  0.666652  1
  Mg  Mg158  1  0.326970  0.326392  0.666806  1
  Mg  Mg159  1  0.660139  0.992736  0.666675  1
  Mg  Mg160  1  0.030709  0.032207  0.644981  1
  Mg  Mg161  1  0.071019  0.404961  0.620921  1
  Mg  Mg162  1  0.402894  0.073152  0.621669  1
  Mg  Mg163  1  0.226293  0.394444  0.722469  1
  Mg  Mg164  1  0.557169  0.060198  0.721932  1
  Mg  Mg165  1  0.601908  0.435462  0.701169  1
  Mg  Mg166  1  0.974532  0.475854  0.675740  1
  Mg  Mg167  1  0.306211  0.142037  0.677874  1
  Mg  Mg168  1  0.639455  0.808334  0.677541  1
  Mg  Mg169  1  0.891302  0.725301  0.722746  1
  Mg  Mg170  1  0.933717  0.101936  0.701273  1
  Mg  Mg171  1  0.268057  0.769430  0.701225  1
  Mg  Mg172  1  0.058050  0.562897  0.722471  1
  Mg  Mg173  1  0.388658  0.227833  0.723267  1
  Mg  Mg174  1  0.435680  0.601752  0.701104  1
  Mg  Mg175  1  0.808503  0.640260  0.677067  1
  Mg  Mg176  1  0.141636  0.309030  0.675802  1
  Mg  Mg177  1  0.474957  0.975717  0.675581  1
  Mg  Mg178  1  0.721675  0.894193  0.723096  1
  Mg  Mg179  1  0.767967  0.267503  0.701200  1
  Mg  Mg180  1  0.102024  0.935975  0.701192  1
  Mg  Mg181  1  0.246133  0.581284  0.712056  1
  Mg  Mg182  1  0.577517  0.247264  0.712062  1
  Mg  Mg183  1  0.624320  0.622291  0.691988  1
  Mg  Mg184  1  0.869496  0.525836  0.731080  1
  Mg  Mg185  1  0.186852  0.207959  0.731468  1
  Mg  Mg186  1  0.519067  0.872856  0.730641  1
  Mg  Mg187  1  0.910987  0.913222  0.712113  1
  Mg  Mg188  1  0.956633  0.288959  0.691330  1
  Mg  Mg189  1  0.293185  0.955625  0.692782  1
  Al  Al190  1  0.750680  0.082158  0.331292  1
  Al  Al191  1  0.199384  0.865898  0.272572  1
  Al  Al192  1  0.127494  0.123118  0.313322  1
  Al  Al193  1  0.499008  0.163358  0.291765  1
  Al  Al194  1  0.832103  0.830198  0.291793  1
  Al  Al195  1  0.166587  0.497855  0.291645  1
  Al  Al196  1  0.534967  0.530277  0.272553  1
  Al  Al197  1  0.457263  0.789365  0.312713  1
  Al  Al198  1  0.791078  0.459436  0.313335  1
  Al  Al199  1  0.634390  0.966445  0.399225  1
  Al  Al200  1  0.086111  0.751586  0.331352  1
  Al  Al201  1  0.006533  0.007968  0.376742  1
  Al  Al202  1  0.379841  0.045571  0.353545  1
  Al  Al203  1  0.713723  0.711673  0.353578  1
  Al  Al204  1  0.046370  0.378211  0.353195  1
  Al  Al205  1  0.419960  0.417700  0.331337  1
  Al  Al206  1  0.341006  0.673338  0.377820  1
  Al  Al207  1  0.675642  0.338859  0.376770  1
  Al  Al208  1  0.515833  0.848528  0.466022  1
  Al  Al209  1  0.968063  0.633651  0.399423  1
  Al  Al210  1  0.888564  0.888197  0.443692  1
  Al  Al211  1  0.261766  0.927222  0.422041  1
  Al  Al212  1  0.594609  0.594369  0.422031  1
  Al  Al213  1  0.927470  0.259888  0.420985  1
  Al  Al214  1  0.301595  0.300157  0.399379  1
  Al  Al215  1  0.221741  0.554433  0.443595  1
  Al  Al216  1  0.555603  0.221127  0.443634  1
  Al  Al217  1  0.395901  0.729382  0.533762  1
  Al  Al218  1  0.849073  0.515290  0.465821  1
  Al  Al219  1  0.769196  0.769435  0.510674  1
  Al  Al220  1  0.142096  0.809359  0.488713  1
  Al  Al221  1  0.476206  0.475296  0.488710  1
  Al  Al222  1  0.808955  0.142129  0.488251  1
  Al  Al223  1  0.182675  0.181677  0.465771  1
  Al  Al224  1  0.102517  0.435386  0.510276  1
  Al  Al225  1  0.436442  0.102146  0.510632  1
  Al  Al226  1  0.276508  0.610622  0.599874  1
  Al  Al227  1  0.729626  0.396038  0.533388  1
  Al  Al228  1  0.650855  0.650467  0.577875  1
  Al  Al229  1  0.023353  0.690661  0.555770  1
  Al  Al230  1  0.357066  0.357103  0.555638  1
  Al  Al231  1  0.689867  0.023571  0.555724  1
  Al  Al232  1  0.062767  0.062989  0.533558  1
  Al  Al233  1  0.983916  0.316819  0.577194  1
  Al  Al234  1  0.316978  0.983975  0.577813  1
  Al  Al235  1  0.159730  0.494510  0.667796  1
  Al  Al236  1  0.610404  0.277239  0.599951  1
  Al  Al237  1  0.533126  0.533338  0.646601  1
  Al  Al238  1  0.903399  0.571976  0.621594  1
  Al  Al239  1  0.238198  0.237128  0.621852  1
  Al  Al240  1  0.570699  0.903799  0.622092  1
  Al  Al241  1  0.943248  0.944861  0.599951  1
  Al  Al242  1  0.865464  0.199480  0.646233  1
  Al  Al243  1  0.199710  0.867003  0.646842  1
  Al  Al244  1  0.044401  0.382293  0.727800  1
  Al  Al245  1  0.492918  0.162168  0.667405  1
  Al  Al246  1  0.412470  0.413033  0.707868  1
  Al  Al247  1  0.788273  0.451093  0.685867  1
  Al  Al248  1  0.118784  0.120708  0.686129  1
  Al  Al249  1  0.452742  0.785329  0.685385  1
  Al  Al250  1  0.826523  0.828169  0.667659  1
  Al  Al251  1  0.743879  0.079073  0.707988  1
  Al  Al252  1  0.077905  0.747872  0.707856  1
