# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48009786
_cell_length_b   23.36670506
_cell_length_c   56.48741095
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al12
_chemical_formula_sum   'Mg204 Al144'
_cell_volume   13832.9397326
_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  0.001272  0.100900  0.332124  1
  Mg  Mg2  1  0.004580  0.700565  0.253580  1
  Mg  Mg3  1  0.674052  0.904527  0.360004  1
  Mg  Mg4  1  0.668583  0.503966  0.276558  1
  Mg  Mg5  1  0.674418  0.697589  0.388737  1
  Mg  Mg6  1  0.674385  0.293339  0.305832  1
  Mg  Mg7  1  0.828405  0.736490  0.295470  1
  Mg  Mg8  1  0.828467  0.135527  0.375658  1
  Mg  Mg9  1  0.330171  0.766959  0.330211  1
  Mg  Mg10  1  0.328354  0.166422  0.415031  1
  Mg  Mg11  1  0.146445  0.649950  0.352311  1
  Mg  Mg12  1  0.144606  0.248860  0.266497  1
  Mg  Mg13  1  0.144756  0.952200  0.397328  1
  Mg  Mg14  1  0.143826  0.552642  0.314752  1
  Mg  Mg15  1  0.859193  0.665251  0.338083  1
  Mg  Mg16  1  0.854161  0.266542  0.254558  1
  Mg  Mg17  1  0.042769  0.772036  0.339287  1
  Mg  Mg18  1  0.062915  0.372979  0.255793  1
  Mg  Mg19  1  0.960803  0.714954  0.386730  1
  Mg  Mg20  1  0.957717  0.315628  0.302518  1
  Mg  Mg21  1  0.859953  0.857204  0.310902  1
  Mg  Mg22  1  0.858259  0.256086  0.395130  1
  Mg  Mg23  1  0.360188  0.645665  0.312289  1
  Mg  Mg24  1  0.357947  0.046208  0.395480  1
  Mg  Mg25  1  0.144883  0.888981  0.318282  1
  Mg  Mg26  1  0.144867  0.288401  0.402080  1
  Mg  Mg27  1  0.542911  0.728120  0.284904  1
  Mg  Mg28  1  0.541628  0.129262  0.368610  1
  Mg  Mg29  1  0.460721  0.587418  0.404330  1
  Mg  Mg30  1  0.459305  0.186393  0.320865  1
  Mg  Mg31  1  0.145620  0.907371  0.262068  1
  Mg  Mg32  1  0.143147  0.312047  0.347548  1
  Mg  Mg33  1  0.359628  0.836348  0.284582  1
  Mg  Mg34  1  0.357638  0.234562  0.369759  1
  Mg  Mg35  1  0.500411  0.800773  0.374181  1
  Mg  Mg36  1  0.498723  0.399065  0.292741  1
  Mg  Mg37  1  0.173843  0.604514  0.402092  1
  Mg  Mg38  1  0.173041  0.204699  0.317244  1
  Mg  Mg39  1  0.173272  0.997578  0.346973  1
  Mg  Mg40  1  0.173751  0.589232  0.264427  1
  Mg  Mg41  1  0.294393  0.029958  0.253693  1
  Mg  Mg42  1  0.327550  0.434959  0.335576  1
  Mg  Mg43  1  0.827578  0.068927  0.289530  1
  Mg  Mg44  1  0.828435  0.466376  0.373222  1
  Mg  Mg45  1  0.647030  0.948211  0.309934  1
  Mg  Mg46  1  0.645057  0.350381  0.393357  1
  Mg  Mg47  1  0.644246  0.849063  0.270438  1
  Mg  Mg48  1  0.644042  0.251754  0.356087  1
  Mg  Mg49  1  0.357812  0.964586  0.297251  1
  Mg  Mg50  1  0.358091  0.365819  0.380126  1
  Mg  Mg51  1  0.539287  0.072376  0.296650  1
  Mg  Mg52  1  0.541747  0.471880  0.380367  1
  Mg  Mg53  1  0.460726  0.014657  0.344278  1
  Mg  Mg54  1  0.465041  0.610381  0.261368  1
  Mg  Mg55  1  0.358430  0.154465  0.269425  1
  Mg  Mg56  1  0.358865  0.556055  0.353642  1
  Mg  Mg57  1  0.858923  0.947370  0.269795  1
  Mg  Mg58  1  0.857116  0.345899  0.353919  1
  Mg  Mg59  1  0.645208  0.588078  0.360335  1
  Mg  Mg60  1  0.646759  0.184798  0.274931  1
  Mg  Mg61  1  0.041507  0.830093  0.410233  1
  Mg  Mg62  1  0.041659  0.429653  0.326435  1
  Mg  Mg63  1  0.960311  0.887628  0.362368  1
  Mg  Mg64  1  0.961584  0.488508  0.277809  1
  Mg  Mg65  1  0.645143  0.013598  0.388569  1
  Mg  Mg66  1  0.643086  0.611300  0.306141  1
  Mg  Mg67  1  0.857966  0.935841  0.410885  1
  Mg  Mg68  1  0.857278  0.533963  0.327775  1
  Mg  Mg69  1  1.000692  0.901794  0.499743  1
  Mg  Mg70  1  1.000715  0.501171  0.416394  1
  Mg  Mg71  1  0.673596  0.705814  0.527032  1
  Mg  Mg72  1  0.673685  0.304929  0.443616  1
  Mg  Mg73  1  0.673705  0.498679  0.555832  1
  Mg  Mg74  1  0.673580  0.097784  0.472450  1
  Mg  Mg75  1  0.828492  0.536082  0.459515  1
  Mg  Mg76  1  0.828356  0.936426  0.542977  1
  Mg  Mg77  1  0.328458  0.567466  0.498216  1
  Mg  Mg78  1  0.328428  0.967631  0.581931  1
  Mg  Mg79  1  0.144880  0.451102  0.518525  1
  Mg  Mg80  1  0.145009  0.050576  0.434972  1
  Mg  Mg81  1  0.145035  0.753035  0.564514  1
  Mg  Mg82  1  0.144862  0.352522  0.480919  1
  Mg  Mg83  1  0.858135  0.467395  0.504920  1
  Mg  Mg84  1  0.858311  0.066794  0.421271  1
  Mg  Mg85  1  0.041698  0.573351  0.505593  1
  Mg  Mg86  1  0.041752  0.172622  0.422030  1
  Mg  Mg87  1  0.960412  0.516166  0.553396  1
  Mg  Mg88  1  0.960360  0.115390  0.469940  1
  Mg  Mg89  1  0.858104  0.656965  0.478535  1
  Mg  Mg90  1  0.858195  0.056960  0.562097  1
  Mg  Mg91  1  0.358258  0.446619  0.479207  1
  Mg  Mg92  1  0.358119  0.847037  0.562760  1
  Mg  Mg93  1  0.144828  0.689603  0.485242  1
  Mg  Mg94  1  0.145203  0.089544  0.568983  1
  Mg  Mg95  1  0.541849  0.530208  0.452122  1
  Mg  Mg96  1  0.541708  0.930600  0.535682  1
  Mg  Mg97  1  0.460644  0.388479  0.571058  1
  Mg  Mg98  1  0.460397  0.987694  0.487773  1
  Mg  Mg99  1  0.145271  0.714021  0.430500  1
  Mg  Mg100  1  0.144792  0.113987  0.514237  1
  Mg  Mg101  1  0.358162  0.636171  0.452761  1
  Mg  Mg102  1  0.358132  0.036325  0.536391  1
  Mg  Mg103  1  0.501028  0.602278  0.541350  1
  Mg  Mg104  1  0.501026  0.201329  0.458119  1
  Mg  Mg105  1  0.173635  0.405960  0.568783  1
  Mg  Mg106  1  0.173495  0.005248  0.485323  1
  Mg  Mg107  1  0.173502  0.798340  0.514160  1
  Mg  Mg108  1  0.173621  0.397663  0.430643  1
  Mg  Mg109  1  0.328447  0.835975  0.417580  1
  Mg  Mg110  1  0.328462  0.236137  0.501248  1
  Mg  Mg111  1  0.828380  0.867153  0.456504  1
  Mg  Mg112  1  0.828493  0.267515  0.539920  1
  Mg  Mg113  1  0.645017  0.751036  0.476735  1
  Mg  Mg114  1  0.644832  0.151040  0.560347  1
  Mg  Mg115  1  0.644890  0.652506  0.439126  1
  Mg  Mg116  1  0.644984  0.052529  0.522751  1
  Mg  Mg117  1  0.358159  0.767244  0.463093  1
  Mg  Mg118  1  0.358120  0.167394  0.546706  1
  Mg  Mg119  1  0.541722  0.872987  0.463805  1
  Mg  Mg120  1  0.541842  0.273382  0.547323  1
  Mg  Mg121  1  0.460406  0.815888  0.511712  1
  Mg  Mg122  1  0.460630  0.415134  0.428376  1
  Mg  Mg123  1  0.358098  0.956571  0.436727  1
  Mg  Mg124  1  0.358238  0.356995  0.520238  1
  Mg  Mg125  1  0.858281  0.746577  0.437397  1
  Mg  Mg126  1  0.858071  0.146606  0.520943  1
  Mg  Mg127  1  0.645006  0.389644  0.527010  1
  Mg  Mg128  1  0.644918  0.989090  0.443450  1
  Mg  Mg129  1  0.041784  0.630999  0.577444  1
  Mg  Mg130  1  0.041689  0.230251  0.493877  1
  Mg  Mg131  1  0.960378  0.688211  0.529538  1
  Mg  Mg132  1  0.960388  0.287460  0.446058  1
  Mg  Mg133  1  0.644931  0.814517  0.556038  1
  Mg  Mg134  1  0.645016  0.413968  0.472425  1
  Mg  Mg135  1  0.858336  0.736828  0.578214  1
  Mg  Mg136  1  0.858122  0.336227  0.494521  1
  Mg  Mg137  1  0.001379  0.702620  0.667333  1
  Mg  Mg138  1  1.000760  0.302386  0.583031  1
  Mg  Mg139  1  0.674624  0.510160  0.693612  1
  Mg  Mg140  1  0.674289  0.105986  0.610765  1
  Mg  Mg141  1  0.669526  0.298776  0.722889  1
  Mg  Mg142  1  0.674013  0.899122  0.639510  1
  Mg  Mg143  1  0.828447  0.337218  0.626187  1
  Mg  Mg144  1  0.827750  0.734558  0.709937  1
  Mg  Mg145  1  0.327529  0.368587  0.663881  1
  Mg  Mg146  1  0.295397  0.773251  0.745747  1
  Mg  Mg147  1  0.143976  0.251279  0.684552  1
  Mg  Mg148  1  0.144780  0.851434  0.602164  1
  Mg  Mg149  1  0.144832  0.554548  0.732945  1
  Mg  Mg150  1  0.146043  0.153580  0.647296  1
  Mg  Mg151  1  0.857275  0.269657  0.671538  1
  Mg  Mg152  1  0.857942  0.867806  0.588605  1
  Mg  Mg153  1  0.041744  0.373918  0.672951  1
  Mg  Mg154  1  0.041406  0.973504  0.589250  1
  Mg  Mg155  1  0.961573  0.315393  0.721465  1
  Mg  Mg156  1  0.960359  0.916000  0.637111  1
  Mg  Mg157  1  0.857204  0.457650  0.645526  1
  Mg  Mg158  1  0.859011  0.856195  0.729608  1
  Mg  Mg159  1  0.358729  0.247557  0.645754  1
  Mg  Mg160  1  0.358641  0.648791  0.730005  1
  Mg  Mg161  1  0.143250  0.491489  0.651910  1
  Mg  Mg162  1  0.146101  0.895324  0.737292  1
  Mg  Mg163  1  0.541752  0.331695  0.619050  1
  Mg  Mg164  1  0.539403  0.731119  0.702830  1
  Mg  Mg165  1  0.463556  0.193361  0.737974  1
  Mg  Mg166  1  0.460773  0.788928  0.655193  1
  Mg  Mg167  1  0.144933  0.515203  0.597378  1
  Mg  Mg168  1  0.144795  0.914699  0.681228  1
  Mg  Mg169  1  0.358169  0.437767  0.619319  1
  Mg  Mg170  1  0.357814  0.838825  0.702190  1
  Mg  Mg171  1  0.500095  0.403932  0.706691  1
  Mg  Mg172  1  0.500212  0.002901  0.625419  1
  Mg  Mg173  1  0.171528  0.213372  0.734700  1
  Mg  Mg174  1  0.173306  0.806048  0.652529  1
  Mg  Mg175  1  0.173189  0.598785  0.682216  1
  Mg  Mg176  1  0.173811  0.199000  0.597419  1
  Mg  Mg177  1  0.328389  0.637171  0.584451  1
  Mg  Mg178  1  0.329675  0.036740  0.669412  1
  Mg  Mg179  1  0.828528  0.668057  0.623815  1
  Mg  Mg180  1  0.830500  0.068043  0.704807  1
  Mg  Mg181  1  0.644147  0.551800  0.643371  1
  Mg  Mg182  1  0.643911  0.954465  0.729038  1
  Mg  Mg183  1  0.645095  0.453220  0.606079  1
  Mg  Mg184  1  0.646954  0.855380  0.689532  1
  Mg  Mg185  1  0.357717  0.568987  0.629721  1
  Mg  Mg186  1  0.359879  0.966987  0.714881  1
  Mg  Mg187  1  0.541700  0.674311  0.630874  1
  Mg  Mg188  1  0.542688  0.075754  0.714595  1
  Mg  Mg189  1  0.459477  0.617055  0.678617  1
  Mg  Mg190  1  0.460681  0.216150  0.595109  1
  Mg  Mg191  1  0.357985  0.757408  0.604001  1
  Mg  Mg192  1  0.359800  0.158112  0.687068  1
  Mg  Mg193  1  0.858315  0.547514  0.604332  1
  Mg  Mg194  1  0.859593  0.946515  0.688494  1
  Mg  Mg195  1  0.642014  0.192472  0.693043  1
  Mg  Mg196  1  0.645165  0.790031  0.610922  1
  Mg  Mg197  1  0.063027  0.430516  0.743681  1
  Mg  Mg198  1  0.042690  0.031608  0.660197  1
  Mg  Mg199  1  0.957905  0.487815  0.696937  1
  Mg  Mg200  1  0.960712  0.088610  0.612745  1
  Mg  Mg201  1  0.646984  0.618662  0.724536  1
  Mg  Mg202  1  0.645071  0.215516  0.639054  1
  Mg  Mg203  1  0.854330  0.536789  0.744871  1
  Mg  Mg204  1  0.858566  0.138160  0.661388  1
  Al  Al205  1  0.411224  0.709603  0.413380  1
  Al  Al206  1  0.410124  0.308076  0.331135  1
  Al  Al207  1  0.911596  0.592614  0.377414  1
  Al  Al208  1  0.911841  0.193878  0.294876  1
  Al  Al209  1  0.089777  0.118744  0.277951  1
  Al  Al210  1  0.092082  0.520132  0.362248  1
  Al  Al211  1  0.277527  0.714587  0.271879  1
  Al  Al212  1  0.279353  0.119099  0.354991  1
  Al  Al213  1  0.722462  0.555483  0.408811  1
  Al  Al214  1  0.720248  0.156434  0.325331  1
  Al  Al215  1  0.092599  0.004828  0.293674  1
  Al  Al216  1  0.091771  0.407242  0.377425  1
  Al  Al217  1  0.096880  0.791842  0.289880  1
  Al  Al218  1  0.091397  0.194550  0.370971  1
  Al  Al219  1  0.411469  0.930676  0.382595  1
  Al  Al220  1  0.408930  0.530333  0.300807  1
  Al  Al221  1  0.781282  0.783285  0.351517  1
  Al  Al222  1  0.785421  0.383455  0.268983  1
  Al  Al223  1  0.223248  0.747368  0.381881  1
  Al  Al224  1  0.221007  0.344111  0.300035  1
  Al  Al225  1  0.911327  0.972391  0.324487  1
  Al  Al226  1  0.911970  0.371840  0.408044  1
  Al  Al227  1  0.094680  0.679829  0.304925  1
  Al  Al228  1  0.092248  0.081803  0.386928  1
  Al  Al229  1  0.911137  0.009771  0.371538  1
  Al  Al230  1  0.911934  0.608669  0.289462  1
  Al  Al231  1  0.413317  0.891309  0.335853  1
  Al  Al232  1  0.408667  0.484764  0.255491  1
  Al  Al233  1  0.594895  0.820170  0.319698  1
  Al  Al234  1  0.592046  0.220353  0.403875  1
  Al  Al235  1  0.779345  0.819043  0.396825  1
  Al  Al236  1  0.778315  0.417953  0.313815  1
  Al  Al237  1  0.222072  0.855753  0.366668  1
  Al  Al238  1  0.222425  0.453653  0.286093  1
  Al  Al239  1  0.593099  0.707425  0.335769  1
  Al  Al240  1  0.586428  0.313496  0.255779  1
  Al  Al241  1  0.591615  0.894800  0.412910  1
  Al  Al242  1  0.592256  0.493300  0.329689  1
  Al  Al243  1  0.911583  0.824507  0.260027  1
  Al  Al244  1  0.911017  0.230799  0.340981  1
  Al  Al245  1  0.276293  0.082616  0.310233  1
  Al  Al246  1  0.280002  0.482878  0.393828  1
  Al  Al247  1  0.722325  0.046877  0.339749  1
  Al  Al248  1  0.731867  0.652553  0.259839  1
  Al  Al249  1  0.412748  0.672239  0.366131  1
  Al  Al250  1  0.407914  0.271223  0.284900  1
  Al  Al251  1  0.574261  0.978657  0.263104  1
  Al  Al252  1  0.591618  0.380382  0.345054  1
  Al  Al253  1  0.411505  0.511032  0.580212  1
  Al  Al254  1  0.411130  0.109835  0.497062  1
  Al  Al255  1  0.911355  0.393867  0.544173  1
  Al  Al256  1  0.911065  0.993304  0.460660  1
  Al  Al257  1  0.092053  0.921111  0.445357  1
  Al  Al258  1  0.092032  0.321528  0.528883  1
  Al  Al259  1  0.279902  0.519284  0.438876  1
  Al  Al260  1  0.279730  0.919738  0.522307  1
  Al  Al261  1  0.722546  0.356795  0.575486  1
  Al  Al262  1  0.722232  0.956097  0.492072  1
  Al  Al263  1  0.091686  0.808159  0.461166  1
  Al  Al264  1  0.091888  0.208474  0.544683  1
  Al  Al265  1  0.091928  0.595119  0.454800  1
  Al  Al266  1  0.091658  0.995423  0.538312  1
  Al  Al267  1  0.411542  0.731545  0.549647  1
  Al  Al268  1  0.411331  0.330855  0.466278  1
  Al  Al269  1  0.779699  0.584168  0.518894  1
  Al  Al270  1  0.779939  0.183269  0.435507  1
  Al  Al271  1  0.222269  0.547980  0.548900  1
  Al  Al272  1  0.222154  0.146918  0.465710  1
  Al  Al273  1  0.911538  0.772621  0.491556  1
  Al  Al274  1  0.911294  0.172873  0.574881  1
  Al  Al275  1  0.092043  0.482075  0.470569  1
  Al  Al276  1  0.092066  0.882485  0.554131  1
  Al  Al277  1  0.911081  0.810296  0.538822  1
  Al  Al278  1  0.911354  0.409757  0.455262  1
  Al  Al279  1  0.411174  0.693740  0.502418  1
  Al  Al280  1  0.411450  0.292576  0.419240  1
  Al  Al281  1  0.592035  0.621458  0.487144  1
  Al  Al282  1  0.592081  0.021718  0.570809  1
  Al  Al283  1  0.779968  0.620347  0.563966  1
  Al  Al284  1  0.779704  0.219432  0.480580  1
  Al  Al285  1  0.222176  0.656696  0.533770  1
  Al  Al286  1  0.222240  0.255623  0.450562  1
  Al  Al287  1  0.591871  0.508413  0.502955  1
  Al  Al288  1  0.591877  0.107410  0.419481  1
  Al  Al289  1  0.591914  0.696205  0.580009  1
  Al  Al290  1  0.591846  0.295181  0.496490  1
  Al  Al291  1  0.911348  0.630673  0.424579  1
  Al  Al292  1  0.911510  0.030965  0.507924  1
  Al  Al293  1  0.279741  0.883841  0.477174  1
  Al  Al294  1  0.279887  0.284286  0.560560  1
  Al  Al295  1  0.722237  0.847479  0.507409  1
  Al  Al296  1  0.722530  0.446816  0.423941  1
  Al  Al297  1  0.411343  0.472761  0.533168  1
  Al  Al298  1  0.411513  0.072050  0.449838  1
  Al  Al299  1  0.592101  0.781852  0.428693  1
  Al  Al300  1  0.592015  0.182123  0.512323  1
  Al  Al301  1  0.409868  0.319055  0.743979  1
  Al  Al302  1  0.413251  0.912326  0.663662  1
  Al  Al303  1  0.911020  0.195390  0.709666  1
  Al  Al304  1  0.911150  0.793845  0.627939  1
  Al  Al305  1  0.092273  0.721815  0.612560  1
  Al  Al306  1  0.093928  0.123917  0.694699  1
  Al  Al307  1  0.280013  0.320749  0.605586  1
  Al  Al308  1  0.276442  0.720821  0.689241  1
  Al  Al309  1  0.730135  0.153518  0.739372  1
  Al  Al310  1  0.722348  0.756674  0.659732  1
  Al  Al311  1  0.091468  0.609033  0.628492  1
  Al  Al312  1  0.096961  0.011673  0.709608  1
  Al  Al313  1  0.091838  0.396391  0.621967  1
  Al  Al314  1  0.092486  0.798489  0.705698  1
  Al  Al315  1  0.408257  0.532016  0.714567  1
  Al  Al316  1  0.412435  0.131353  0.633336  1
  Al  Al317  1  0.778440  0.385514  0.685608  1
  Al  Al318  1  0.779255  0.984614  0.602753  1
  Al  Al319  1  0.222733  0.349769  0.713439  1
  Al  Al320  1  0.222116  0.947891  0.632835  1
  Al  Al321  1  0.911140  0.572723  0.658485  1
  Al  Al322  1  0.911585  0.978625  0.739289  1
  Al  Al323  1  0.091898  0.283461  0.637099  1
  Al  Al324  1  0.089999  0.684710  0.721550  1
  Al  Al325  1  0.912036  0.609604  0.704592  1
  Al  Al326  1  0.911382  0.210889  0.622043  1
  Al  Al327  1  0.410258  0.495382  0.668328  1
  Al  Al328  1  0.411138  0.093960  0.586095  1
  Al  Al329  1  0.591755  0.423154  0.654368  1
  Al  Al330  1  0.574531  0.824912  0.736347  1
  Al  Al331  1  0.785569  0.419780  0.730457  1
  Al  Al332  1  0.781199  0.020373  0.648049  1
  Al  Al333  1  0.221196  0.459237  0.699423  1
  Al  Al334  1  0.223096  0.056273  0.617625  1
  Al  Al335  1  0.592260  0.310295  0.669708  1
  Al  Al336  1  0.591635  0.908812  0.586586  1
  Al  Al337  1  0.586824  0.489788  0.743670  1
  Al  Al338  1  0.592708  0.096050  0.663703  1
  Al  Al339  1  0.911952  0.431781  0.591385  1
  Al  Al340  1  0.911205  0.831243  0.674977  1
  Al  Al341  1  0.279426  0.684469  0.644467  1
  Al  Al342  1  0.276772  0.088805  0.727283  1
  Al  Al343  1  0.720409  0.647101  0.674135  1
  Al  Al344  1  0.722468  0.248127  0.590601  1
  Al  Al345  1  0.408995  0.273393  0.698630  1
  Al  Al346  1  0.411479  0.872950  0.616905  1
  Al  Al347  1  0.592085  0.583245  0.595592  1
  Al  Al348  1  0.594686  0.983533  0.679845  1
