# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.73451152
_cell_length_b   23.39287097
_cell_length_c   49.23228319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al12
_chemical_formula_sum   'Mg204 Al144'
_cell_volume   16098.688596
_cell_formula_units_Z   12
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  0.899496  0.777639  0.286220  1
  Mg  Mg2  1  0.123167  0.224871  0.352496  1
  Mg  Mg3  1  0.294426  0.928693  0.305045  1
  Mg  Mg4  1  0.523052  0.370781  0.376692  1
  Mg  Mg5  1  0.655816  0.928739  0.305057  1
  Mg  Mg6  1  0.869122  0.370861  0.376694  1
  Mg  Mg7  1  0.403486  0.785455  0.387790  1
  Mg  Mg8  1  0.181380  0.341142  0.314670  1
  Mg  Mg9  1  0.531670  0.041722  0.378754  1
  Mg  Mg10  1  0.312122  0.602554  0.307968  1
  Mg  Mg11  1  0.773300  0.127211  0.388051  1
  Mg  Mg12  1  0.549176  0.679682  0.313578  1
  Mg  Mg13  1  0.406669  0.197638  0.296140  1
  Mg  Mg14  1  0.630019  0.640788  0.369223  1
  Mg  Mg15  1  0.566480  0.801576  0.348334  1
  Mg  Mg16  1  0.790746  0.245381  0.419860  1
  Mg  Mg17  1  0.598536  0.175709  0.390485  1
  Mg  Mg18  1  0.378903  0.736396  0.320249  1
  Mg  Mg19  1  0.552505  0.799221  0.284275  1
  Mg  Mg20  1  0.776611  0.244432  0.355010  1
  Mg  Mg21  1  0.256557  0.801601  0.348352  1
  Mg  Mg22  1  0.475988  0.245374  0.419875  1
  Mg  Mg23  1  0.669117  1.000106  0.413378  1
  Mg  Mg24  1  0.443105  0.555005  0.342862  1
  Mg  Mg25  1  0.375321  0.127194  0.388052  1
  Mg  Mg26  1  0.152118  0.679737  0.313609  1
  Mg  Mg27  1  0.464046  0.906778  0.415803  1
  Mg  Mg28  1  0.240423  0.459484  0.347508  1
  Mg  Mg29  1  0.881964  0.022558  0.319217  1
  Mg  Mg30  1  0.098864  0.465773  0.391873  1
  Mg  Mg31  1  0.812390  0.197749  0.296144  1
  Mg  Mg32  1  0.032123  0.640817  0.369224  1
  Mg  Mg33  1  0.352403  1.000132  0.413358  1
  Mg  Mg34  1  0.133301  0.555037  0.342819  1
  Mg  Mg35  1  0.514838  0.008026  0.317377  1
  Mg  Mg36  1  0.735060  0.448730  0.387750  1
  Mg  Mg37  1  0.909634  0.148170  0.341309  1
  Mg  Mg38  1  0.134710  0.593386  0.412427  1
  Mg  Mg39  1  0.259943  0.148225  0.341315  1
  Mg  Mg40  1  0.479970  0.593444  0.412441  1
  Mg  Mg41  1  0.014361  0.007198  0.423175  1
  Mg  Mg42  1  0.792735  0.564019  0.349980  1
  Mg  Mg43  1  0.919986  0.818428  0.345213  1
  Mg  Mg44  1  0.142840  0.264212  0.414735  1
  Mg  Mg45  1  0.162809  0.904661  0.352613  1
  Mg  Mg46  1  0.383723  0.349133  0.423675  1
  Mg  Mg47  1  0.244558  0.863622  0.404618  1
  Mg  Mg48  1  0.019286  0.417766  0.333541  1
  Mg  Mg49  1  0.178408  0.022994  0.383897  1
  Mg  Mg50  1  0.962559  0.572587  0.311807  1
  Mg  Mg51  1  0.987018  0.952575  0.354548  1
  Mg  Mg52  1  0.762000  0.502710  0.285134  1
  Mg  Mg53  1  0.162187  0.022599  0.319186  1
  Mg  Mg54  1  0.388233  0.465775  0.391881  1
  Mg  Mg55  1  0.865987  0.022955  0.383935  1
  Mg  Mg56  1  0.631202  0.572441  0.311820  1
  Mg  Mg57  1  0.059524  0.777565  0.377163  1
  Mg  Mg58  1  0.836875  0.335554  0.304337  1
  Mg  Mg59  1  0.763323  0.904637  0.352620  1
  Mg  Mg60  1  0.986697  0.349111  0.423686  1
  Mg  Mg61  1  0.626909  0.232427  0.306796  1
  Mg  Mg62  1  0.852386  0.683449  0.380778  1
  Mg  Mg63  1  0.268310  0.799243  0.284269  1
  Mg  Mg64  1  0.489202  0.244376  0.355001  1
  Mg  Mg65  1  0.640421  0.863623  0.404628  1
  Mg  Mg66  1  0.419929  0.417797  0.333538  1
  Mg  Mg67  1  0.739469  0.777580  0.377162  1
  Mg  Mg68  1  0.520119  0.335563  0.304323  1
  Mg  Mg69  1  0.345903  0.670498  0.424416  1
  Mg  Mg70  1  0.567981  0.114733  0.495977  1
  Mg  Mg71  1  0.745550  0.815828  0.447831  1
  Mg  Mg72  1  0.967750  0.260354  0.519392  1
  Mg  Mg73  1  0.091583  0.815889  0.447837  1
  Mg  Mg74  1  0.313783  0.260426  0.519399  1
  Mg  Mg75  1  0.847945  0.674578  0.530899  1
  Mg  Mg76  1  0.625695  0.229974  0.458984  1
  Mg  Mg77  1  0.976167  0.930981  0.522087  1
  Mg  Mg78  1  0.754048  0.486703  0.450259  1
  Mg  Mg79  1  0.216925  0.015664  0.531005  1
  Mg  Mg80  1  0.994667  0.571494  0.459409  1
  Mg  Mg81  1  0.855236  0.085707  0.440302  1
  Mg  Mg82  1  0.076791  0.530467  0.512223  1
  Mg  Mg83  1  0.013264  0.689880  0.491623  1
  Mg  Mg84  1  0.235762  0.134252  0.562851  1
  Mg  Mg85  1  0.042946  0.064789  0.534218  1
  Mg  Mg86  1  0.820959  0.620711  0.462543  1
  Mg  Mg87  1  0.998795  0.688500  0.427376  1
  Mg  Mg88  1  0.220284  0.132822  0.498763  1
  Mg  Mg89  1  0.697860  0.689888  0.491639  1
  Mg  Mg90  1  0.919649  0.134271  0.562868  1
  Mg  Mg91  1  0.113127  0.889216  0.557045  1
  Mg  Mg92  1  0.890907  0.444758  0.485236  1
  Mg  Mg93  1  0.819918  0.015660  0.531020  1
  Mg  Mg94  1  0.598060  0.571490  0.459423  1
  Mg  Mg95  1  0.908348  0.795585  0.559699  1
  Mg  Mg96  1  0.686040  0.350936  0.487816  1
  Mg  Mg97  1  0.322913  0.910750  0.463083  1
  Mg  Mg98  1  0.544805  0.355260  0.534620  1
  Mg  Mg99  1  0.251777  0.085713  0.440303  1
  Mg  Mg100  1  0.474845  0.530467  0.512235  1
  Mg  Mg101  1  0.797302  0.889245  0.557033  1
  Mg  Mg102  1  0.575089  0.444779  0.485226  1
  Mg  Mg103  1  0.956943  0.892592  0.460548  1
  Mg  Mg104  1  0.179213  0.337273  0.532061  1
  Mg  Mg105  1  0.356458  0.038034  0.483624  1
  Mg  Mg106  1  0.579080  0.482623  0.555398  1
  Mg  Mg107  1  0.702832  0.038100  0.483637  1
  Mg  Mg108  1  0.924654  0.482683  0.555402  1
  Mg  Mg109  1  0.458964  0.896634  0.566792  1
  Mg  Mg110  1  0.236788  0.452253  0.494990  1
  Mg  Mg111  1  0.365078  0.708795  0.486236  1
  Mg  Mg112  1  0.587286  0.153346  0.557440  1
  Mg  Mg113  1  0.606297  0.793614  0.495224  1
  Mg  Mg114  1  0.828166  0.238129  0.566491  1
  Mg  Mg115  1  0.688098  0.752784  0.548081  1
  Mg  Mg116  1  0.466094  0.308274  0.476167  1
  Mg  Mg117  1  0.624199  0.911875  0.527430  1
  Mg  Mg118  1  0.402471  0.467421  0.455945  1
  Mg  Mg119  1  0.431977  0.842768  0.498418  1
  Mg  Mg120  1  0.209710  0.398180  0.426791  1
  Mg  Mg121  1  0.609124  0.910755  0.463085  1
  Mg  Mg122  1  0.831572  0.355262  0.534619  1
  Mg  Mg123  1  0.308883  0.911880  0.527442  1
  Mg  Mg124  1  0.086195  0.467417  0.455957  1
  Mg  Mg125  1  0.502112  0.666962  0.521144  1
  Mg  Mg126  1  0.280083  0.222357  0.449284  1
  Mg  Mg127  1  0.208538  0.793599  0.495234  1
  Mg  Mg128  1  0.431032  0.238110  0.566502  1
  Mg  Mg129  1  0.074799  0.128362  0.451785  1
  Mg  Mg130  1  0.297109  0.573099  0.523892  1
  Mg  Mg131  1  0.711008  0.688497  0.427378  1
  Mg  Mg132  1  0.933740  0.132819  0.498763  1
  Mg  Mg133  1  0.085849  0.752771  0.548087  1
  Mg  Mg134  1  0.863401  0.308274  0.476181  1
  Mg  Mg135  1  0.186064  0.666981  0.521129  1
  Mg  Mg136  1  0.963591  0.222378  0.449274  1
  Mg  Mg137  1  0.790579  0.560045  0.568446  1
  Mg  Mg138  1  0.011738  0.002382  0.639190  1
  Mg  Mg139  1  0.189849  0.704775  0.591447  1
  Mg  Mg140  1  0.404906  0.146962  0.660960  1
  Mg  Mg141  1  0.536013  0.704842  0.591458  1
  Mg  Mg142  1  0.763153  0.147035  0.660963  1
  Mg  Mg143  1  0.291048  0.561045  0.675639  1
  Mg  Mg144  1  0.070221  0.119207  0.601510  1
  Mg  Mg145  1  0.419747  0.818303  0.664492  1
  Mg  Mg146  1  0.198393  0.375604  0.593795  1
  Mg  Mg147  1  0.659436  0.906811  0.676157  1
  Mg  Mg148  1  0.439629  0.460423  0.602635  1
  Mg  Mg149  1  0.299208  0.975072  0.583895  1
  Mg  Mg150  1  0.523003  0.420131  0.654668  1
  Mg  Mg151  1  0.456443  0.577776  0.635696  1
  Mg  Mg152  1  0.683640  0.033630  0.705956  1
  Mg  Mg153  1  0.487413  0.953830  0.678946  1
  Mg  Mg154  1  0.265247  0.509512  0.606182  1
  Mg  Mg155  1  0.442417  0.577607  0.570760  1
  Mg  Mg156  1  0.661971  0.022731  0.642409  1
  Mg  Mg157  1  0.142362  0.577766  0.635703  1
  Mg  Mg158  1  0.371033  0.033678  0.705977  1
  Mg  Mg159  1  0.561212  0.778546  0.700468  1
  Mg  Mg160  1  0.334488  0.334074  0.628803  1
  Mg  Mg161  1  0.268351  0.906804  0.676169  1
  Mg  Mg162  1  0.041806  0.460423  0.602639  1
  Mg  Mg163  1  0.352966  0.684971  0.703305  1
  Mg  Mg164  1  0.131143  0.241324  0.630616  1
  Mg  Mg165  1  0.766791  0.799872  0.606582  1
  Mg  Mg166  1  0.990677  0.242480  0.678231  1
  Mg  Mg167  1  0.696973  0.975073  0.583898  1
  Mg  Mg168  1  0.918086  0.420140  0.654661  1
  Mg  Mg169  1  0.238436  0.778576  0.700461  1
  Mg  Mg170  1  0.020639  0.334100  0.628781  1
  Mg  Mg171  1  0.400981  0.780842  0.603435  1
  Mg  Mg172  1  0.623581  0.226144  0.672502  1
  Mg  Mg173  1  0.798202  0.926065  0.627844  1
  Mg  Mg174  1  0.013381  0.369338  0.697601  1
  Mg  Mg175  1  0.148954  0.926101  0.627866  1
  Mg  Mg176  1  0.376832  0.369368  0.697610  1
  Mg  Mg177  1  0.905319  0.789479  0.707780  1
  Mg  Mg178  1  0.681510  0.341982  0.637486  1
  Mg  Mg179  1  0.810095  0.599053  0.629811  1
  Mg  Mg180  1  0.033300  0.045673  0.699214  1
  Mg  Mg181  1  0.051420  0.682284  0.638439  1
  Mg  Mg182  1  0.262938  0.125743  0.709995  1
  Mg  Mg183  1  0.128950  0.640112  0.692487  1
  Mg  Mg184  1  0.911156  0.198443  0.619103  1
  Mg  Mg185  1  0.070106  0.801298  0.670060  1
  Mg  Mg186  1  0.846739  0.356164  0.599026  1
  Mg  Mg187  1  0.876847  0.732659  0.641130  1
  Mg  Mg188  1  0.654080  0.287119  0.569845  1
  Mg  Mg189  1  0.054201  0.799866  0.606579  1
  Mg  Mg190  1  0.272680  0.242424  0.678252  1
  Mg  Mg191  1  0.752315  0.801318  0.670078  1
  Mg  Mg192  1  0.530463  0.356169  0.599035  1
  Mg  Mg193  1  0.943955  0.555733  0.662276  1
  Mg  Mg194  1  0.723963  0.111771  0.592307  1
  Mg  Mg195  1  0.651903  0.682282  0.638451  1
  Mg  Mg196  1  0.883894  0.125811  0.709978  1
  Mg  Mg197  1  0.519252  0.017493  0.595169  1
  Mg  Mg198  1  0.741229  0.461545  0.667397  1
  Mg  Mg199  1  0.156285  0.577607  0.570756  1
  Mg  Mg200  1  0.381775  0.022741  0.642422  1
  Mg  Mg201  1  0.532168  0.640096  0.692503  1
  Mg  Mg202  1  0.308308  0.198399  0.619122  1
  Mg  Mg203  1  0.632758  0.555741  0.662262  1
  Mg  Mg204  1  0.408893  0.111775  0.592302  1
  Al  Al205  1  0.727207  0.064979  0.298838  1
  Al  Al206  1  0.949026  0.509260  0.368757  1
  Al  Al207  1  0.725032  0.799218  0.315612  1
  Al  Al208  1  0.947944  0.245297  0.386389  1
  Al  Al209  1  0.988921  0.145015  0.399105  1
  Al  Al210  1  0.763257  0.697784  0.329420  1
  Al  Al211  1  0.068929  0.116452  0.306787  1
  Al  Al212  1  0.294399  0.567492  0.379484  1
  Al  Al213  1  0.869045  0.902114  0.303165  1
  Al  Al214  1  0.094937  0.349251  0.373047  1
  Al  Al215  1  0.177382  0.144914  0.399125  1
  Al  Al216  1  0.955917  0.697742  0.329430  1
  Al  Al217  1  0.027010  0.220930  0.296470  1
  Al  Al218  1  0.251166  0.671511  0.364355  1
  Al  Al219  1  0.359602  0.064899  0.298797  1
  Al  Al220  1  0.581603  0.509244  0.368748  1
  Al  Al221  1  0.444930  0.868430  0.319374  1
  Al  Al222  1  0.662864  0.304365  0.394265  1
  Al  Al223  1  0.666046  0.127958  0.337879  1
  Al  Al224  1  0.887275  0.572327  0.408334  1
  Al  Al225  1  0.095716  0.799256  0.315589  1
  Al  Al226  1  0.318792  0.245320  0.386399  1
  Al  Al227  1  0.215363  0.221012  0.296450  1
  Al  Al228  1  0.441770  0.671480  0.364306  1
  Al  Al229  1  0.559420  0.730821  0.403906  1
  Al  Al230  1  0.337533  0.286618  0.333594  1
  Al  Al231  1  0.335555  0.023041  0.351520  1
  Al  Al232  1  0.560561  0.467462  0.422353  1
  Al  Al233  1  0.377837  0.922474  0.363001  1
  Al  Al234  1  0.157691  0.480341  0.295714  1
  Al  Al235  1  0.904742  0.788117  0.414085  1
  Al  Al236  1  0.680725  0.340059  0.342333  1
  Al  Al237  1  0.483493  0.127991  0.337889  1
  Al  Al238  1  0.706292  0.572406  0.408348  1
  Al  Al239  1  0.566021  0.922363  0.363019  1
  Al  Al240  1  0.344256  0.480349  0.295722  1
  Al  Al241  1  0.862824  0.892907  0.400605  1
  Al  Al242  1  0.638619  0.447379  0.330620  1
  Al  Al243  1  0.192774  0.730819  0.403888  1
  Al  Al244  1  0.970566  0.286603  0.333554  1
  Al  Al245  1  0.051892  0.082460  0.359237  1
  Al  Al246  1  0.828184  0.635120  0.291582  1
  Al  Al247  1  0.054455  0.902041  0.303189  1
  Al  Al248  1  0.275573  0.349191  0.373032  1
  Al  Al249  1  0.709043  0.023050  0.351530  1
  Al  Al250  1  0.928220  0.467476  0.422344  1
  Al  Al251  1  0.051482  0.892884  0.400566  1
  Al  Al252  1  0.830183  0.447382  0.330561  1
  Al  Al253  1  0.171022  0.952971  0.439615  1
  Al  Al254  1  0.393268  0.397771  0.511352  1
  Al  Al255  1  0.171146  0.689421  0.457928  1
  Al  Al256  1  0.393197  0.133870  0.529223  1
  Al  Al257  1  0.432837  0.033227  0.542525  1
  Al  Al258  1  0.210757  0.588795  0.471238  1
  Al  Al259  1  0.516006  0.010691  0.450110  1
  Al  Al260  1  0.738296  0.455430  0.521871  1
  Al  Al261  1  0.316863  0.794351  0.444558  1
  Al  Al262  1  0.539081  0.238865  0.515831  1
  Al  Al263  1  0.621500  0.033120  0.542556  1
  Al  Al264  1  0.399241  0.588701  0.471263  1
  Al  Al265  1  0.474244  0.115566  0.436360  1
  Al  Al266  1  0.696393  0.560257  0.508215  1
  Al  Al267  1  0.803323  0.952956  0.439606  1
  Al  Al268  1  0.025697  0.397760  0.511339  1
  Al  Al269  1  0.885344  0.749399  0.465820  1
  Al  Al270  1  0.107353  0.193500  0.537334  1
  Al  Al271  1  0.109594  0.016242  0.480183  1
  Al  Al272  1  0.331907  0.461114  0.551945  1
  Al  Al273  1  0.539589  0.689449  0.457928  1
  Al  Al274  1  0.761870  0.133890  0.529223  1
  Al  Al275  1  0.662649  0.115541  0.436321  1
  Al  Al276  1  0.885041  0.560228  0.508172  1
  Al  Al277  1  1.004483  0.620010  0.547244  1
  Al  Al278  1  0.782188  0.175381  0.475340  1
  Al  Al279  1  0.781755  0.911627  0.493655  1
  Al  Al280  1  1.004163  0.356481  0.565297  1
  Al  Al281  1  0.822013  0.811110  0.506873  1
  Al  Al282  1  0.600055  0.366669  0.435029  1
  Al  Al283  1  0.349386  0.677660  0.557917  1
  Al  Al284  1  0.127026  0.232802  0.485829  1
  Al  Al285  1  0.927838  0.016319  0.480194  1
  Al  Al286  1  0.150247  0.461195  0.551951  1
  Al  Al287  1  0.010278  0.810999  0.506901  1
  Al  Al288  1  0.787853  0.366556  0.435059  1
  Al  Al289  1  0.307326  0.782307  0.543944  1
  Al  Al290  1  0.085131  0.337782  0.472374  1
  Al  Al291  1  0.636707  0.620012  0.547237  1
  Al  Al292  1  0.414463  0.175367  0.475320  1
  Al  Al293  1  0.496335  0.971404  0.501672  1
  Al  Al294  1  0.273879  0.526470  0.430622  1
  Al  Al295  1  0.498632  0.794276  0.444551  1
  Al  Al296  1  0.720788  0.238783  0.515824  1
  Al  Al297  1  0.151138  0.911640  0.493645  1
  Al  Al298  1  0.373405  0.356482  0.565292  1
  Al  Al299  1  0.496140  0.782276  0.543901  1
  Al  Al300  1  0.273879  0.337758  0.472329  1
  Al  Al301  1  0.615277  0.842410  0.582943  1
  Al  Al302  1  0.839708  0.286276  0.653418  1
  Al  Al303  1  0.614407  0.578593  0.601193  1
  Al  Al304  1  0.837715  0.023148  0.670725  1
  Al  Al305  1  0.876240  0.921989  0.686107  1
  Al  Al306  1  0.656365  0.478145  0.613678  1
  Al  Al307  1  0.960603  0.900062  0.593987  1
  Al  Al308  1  0.182439  0.343938  0.667159  1
  Al  Al309  1  0.761102  0.683398  0.587813  1
  Al  Al310  1  0.983164  0.126914  0.656967  1
  Al  Al311  1  0.066817  0.921772  0.686222  1
  Al  Al312  1  0.842741  0.478050  0.613698  1
  Al  Al313  1  0.918430  0.004287  0.579943  1
  Al  Al314  1  0.140518  0.448228  0.650859  1
  Al  Al315  1  0.248324  0.842420  0.582937  1
  Al  Al316  1  0.467519  0.286235  0.653411  1
  Al  Al317  1  0.329415  0.637713  0.609364  1
  Al  Al318  1  0.554787  0.088436  0.679810  1
  Al  Al319  1  0.554716  0.906008  0.623741  1
  Al  Al320  1  0.778664  0.349501  0.692899  1
  Al  Al321  1  0.985286  0.578608  0.601184  1
  Al  Al322  1  0.206430  0.023121  0.670752  1
  Al  Al323  1  0.106927  0.004263  0.579880  1
  Al  Al324  1  0.328582  0.448201  0.650816  1
  Al  Al325  1  0.454562  0.507464  0.689066  1
  Al  Al326  1  0.228578  0.064497  0.618100  1
  Al  Al327  1  0.228232  0.801082  0.636525  1
  Al  Al328  1  0.453399  0.235650  0.704578  1
  Al  Al329  1  0.265193  0.699062  0.650046  1
  Al  Al330  1  0.044299  0.255825  0.577995  1
  Al  Al331  1  0.795627  0.570340  0.698297  1
  Al  Al332  1  0.572041  0.123041  0.628273  1
  Al  Al333  1  0.372361  0.906114  0.623769  1
  Al  Al334  1  0.591696  0.349560  0.692916  1
  Al  Al335  1  0.454912  0.698981  0.650089  1
  Al  Al336  1  0.232553  0.255687  0.578037  1
  Al  Al337  1  0.751582  0.674679  0.686521  1
  Al  Al338  1  0.529703  0.227002  0.615220  1
  Al  Al339  1  0.073774  0.507457  0.689070  1
  Al  Al340  1  0.856987  0.064555  0.618080  1
  Al  Al341  1  0.941269  0.861369  0.645234  1
  Al  Al342  1  0.718229  0.415347  0.573262  1
  Al  Al343  1  0.943247  0.683321  0.587806  1
  Al  Al344  1  0.164668  0.126762  0.656980  1
  Al  Al345  1  0.594009  0.801114  0.636529  1
  Al  Al346  1  0.803287  0.235751  0.704597  1
  Al  Al347  1  0.944126  0.674692  0.686496  1
  Al  Al348  1  0.718308  0.226976  0.615186  1
