# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51700449
_cell_length_b   23.48234002
_cell_length_c   56.45873803
_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   13943.2687415
_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  1.000413  0.101452  0.334011  1
  Mg  Mg2  1  0.994182  0.699903  0.258014  1
  Mg  Mg3  1  0.826010  0.605095  0.403643  1
  Mg  Mg4  1  0.825511  0.206234  0.318364  1
  Mg  Mg5  1  0.675132  0.766182  0.330025  1
  Mg  Mg6  1  0.676132  0.165592  0.415949  1
  Mg  Mg7  1  0.174056  0.737284  0.298503  1
  Mg  Mg8  1  0.176923  0.135528  0.377623  1
  Mg  Mg9  1  0.828006  0.995561  0.348306  1
  Mg  Mg10  1  0.810014  0.588577  0.270072  1
  Mg  Mg11  1  0.541762  0.585643  0.406215  1
  Mg  Mg12  1  0.541537  0.182466  0.321905  1
  Mg  Mg13  1  0.958879  0.772108  0.341052  1
  Mg  Mg14  1  0.952373  0.374075  0.259534  1
  Mg  Mg15  1  0.457208  0.728488  0.286582  1
  Mg  Mg16  1  0.460529  0.129085  0.369932  1
  Mg  Mg17  1  0.342444  0.847178  0.272466  1
  Mg  Mg18  1  0.359937  0.251546  0.357555  1
  Mg  Mg19  1  0.628571  0.841399  0.286521  1
  Mg  Mg20  1  0.643010  0.235159  0.370986  1
  Mg  Mg21  1  0.137954  0.858247  0.312196  1
  Mg  Mg22  1  0.142851  0.255636  0.396311  1
  Mg  Mg23  1  0.359262  0.588369  0.361806  1
  Mg  Mg24  1  0.362426  0.188681  0.276545  1
  Mg  Mg25  1  0.639073  0.643815  0.314179  1
  Mg  Mg26  1  0.642985  0.045438  0.397439  1
  Mg  Mg27  1  0.139800  0.663649  0.340203  1
  Mg  Mg28  1  0.151485  0.271244  0.256574  1
  Mg  Mg29  1  0.362594  0.946429  0.310689  1
  Mg  Mg30  1  0.359420  0.348759  0.394880  1
  Mg  Mg31  1  0.359439  0.012787  0.390555  1
  Mg  Mg32  1  0.357329  0.613115  0.308180  1
  Mg  Mg33  1  0.542168  0.016844  0.345608  1
  Mg  Mg34  1  0.529409  0.613766  0.263380  1
  Mg  Mg35  1  0.500202  0.800508  0.375682  1
  Mg  Mg36  1  0.503205  0.401025  0.294257  1
  Mg  Mg37  1  0.325822  0.905726  0.361213  1
  Mg  Mg38  1  0.334279  0.508590  0.279201  1
  Mg  Mg39  1  0.176187  0.068414  0.291526  1
  Mg  Mg40  1  0.176655  0.465193  0.374517  1
  Mg  Mg41  1  0.717993  0.032573  0.260607  1
  Mg  Mg42  1  0.679755  0.435007  0.336787  1
  Mg  Mg43  1  0.324954  0.695983  0.390631  1
  Mg  Mg44  1  0.323437  0.293357  0.307538  1
  Mg  Mg45  1  0.041562  0.885993  0.364116  1
  Mg  Mg46  1  0.044873  0.487738  0.280757  1
  Mg  Mg47  1  0.465325  0.069113  0.296189  1
  Mg  Mg48  1  0.460625  0.471815  0.382567  1
  Mg  Mg49  1  0.959558  0.829298  0.411593  1
  Mg  Mg50  1  0.962273  0.427997  0.326990  1
  Mg  Mg51  1  0.859145  0.952387  0.398958  1
  Mg  Mg52  1  0.862136  0.551051  0.317450  1
  Mg  Mg53  1  0.142340  0.936059  0.412774  1
  Mg  Mg54  1  0.144963  0.534291  0.329649  1
  Mg  Mg55  1  0.651447  0.156150  0.271896  1
  Mg  Mg56  1  0.642490  0.555308  0.355034  1
  Mg  Mg57  1  0.859224  0.887945  0.319474  1
  Mg  Mg58  1  0.859462  0.288359  0.403151  1
  Mg  Mg59  1  0.150290  0.947320  0.271964  1
  Mg  Mg60  1  0.143009  0.345006  0.355838  1
  Mg  Mg61  1  0.652063  0.964995  0.300616  1
  Mg  Mg62  1  0.642764  0.364858  0.381193  1
  Mg  Mg63  1  0.856876  0.648764  0.353777  1
  Mg  Mg64  1  0.865869  0.247597  0.268420  1
  Mg  Mg65  1  0.867425  0.908634  0.266373  1
  Mg  Mg66  1  0.859441  0.312229  0.348687  1
  Mg  Mg67  1  0.040958  0.715652  0.388231  1
  Mg  Mg68  1  0.042311  0.315355  0.304075  1
  Mg  Mg69  1  0.001162  0.900838  0.501671  1
  Mg  Mg70  1  0.001183  0.500258  0.418228  1
  Mg  Mg71  1  0.826179  0.406397  0.570401  1
  Mg  Mg72  1  0.826548  0.005687  0.486990  1
  Mg  Mg73  1  0.675814  0.566196  0.499607  1
  Mg  Mg74  1  0.676084  0.965993  0.583712  1
  Mg  Mg75  1  0.175833  0.535686  0.461866  1
  Mg  Mg76  1  0.175962  0.935535  0.545592  1
  Mg  Mg77  1  0.826603  0.795993  0.516329  1
  Mg  Mg78  1  0.826682  0.395361  0.432608  1
  Mg  Mg79  1  0.541579  0.386262  0.573201  1
  Mg  Mg80  1  0.541852  0.985413  0.489839  1
  Mg  Mg81  1  0.960191  0.572705  0.507800  1
  Mg  Mg82  1  0.960351  0.172090  0.423975  1
  Mg  Mg83  1  0.460159  0.529193  0.453583  1
  Mg  Mg84  1  0.460262  0.929227  0.537494  1
  Mg  Mg85  1  0.359162  0.652545  0.441049  1
  Mg  Mg86  1  0.359312  0.052133  0.524847  1
  Mg  Mg87  1  0.642434  0.636091  0.454761  1
  Mg  Mg88  1  0.642553  0.035736  0.538618  1
  Mg  Mg89  1  0.142656  0.656344  0.480102  1
  Mg  Mg90  1  0.142535  0.055945  0.563829  1
  Mg  Mg91  1  0.359210  0.389016  0.528584  1
  Mg  Mg92  1  0.359223  0.988676  0.444935  1
  Mg  Mg93  1  0.642565  0.445529  0.481328  1
  Mg  Mg94  1  0.642950  0.845732  0.565251  1
  Mg  Mg95  1  0.142631  0.465871  0.506585  1
  Mg  Mg96  1  0.142804  0.065616  0.422705  1
  Mg  Mg97  1  0.359173  0.749542  0.478428  1
  Mg  Mg98  1  0.359121  0.149195  0.562083  1
  Mg  Mg99  1  0.359451  0.813048  0.558400  1
  Mg  Mg100  1  0.359392  0.412755  0.474503  1
  Mg  Mg101  1  0.541889  0.816300  0.513498  1
  Mg  Mg102  1  0.542095  0.415574  0.429857  1
  Mg  Mg103  1  0.501123  0.601302  0.543391  1
  Mg  Mg104  1  0.501222  0.200501  0.459772  1
  Mg  Mg105  1  0.326605  0.706235  0.528801  1
  Mg  Mg106  1  0.326564  0.305492  0.445171  1
  Mg  Mg107  1  0.175711  0.866065  0.457762  1
  Mg  Mg108  1  0.175527  0.266012  0.541228  1
  Mg  Mg109  1  0.675091  0.835677  0.419795  1
  Mg  Mg110  1  0.675754  0.235562  0.503559  1
  Mg  Mg111  1  0.326338  0.496290  0.557910  1
  Mg  Mg112  1  0.326555  0.095578  0.474441  1
  Mg  Mg113  1  0.041955  0.685932  0.531706  1
  Mg  Mg114  1  0.041932  0.285264  0.447906  1
  Mg  Mg115  1  0.460074  0.872429  0.465881  1
  Mg  Mg116  1  0.459909  0.272572  0.549526  1
  Mg  Mg117  1  0.960202  0.629729  0.579215  1
  Mg  Mg118  1  0.960203  0.229022  0.495348  1
  Mg  Mg119  1  0.859584  0.752721  0.566747  1
  Mg  Mg120  1  0.859316  0.352225  0.482880  1
  Mg  Mg121  1  0.143047  0.736119  0.580612  1
  Mg  Mg122  1  0.142637  0.335905  0.496505  1
  Mg  Mg123  1  0.642647  0.956081  0.438142  1
  Mg  Mg124  1  0.642430  0.356258  0.521764  1
  Mg  Mg125  1  0.859318  0.689076  0.486841  1
  Mg  Mg126  1  0.858530  0.088635  0.570747  1
  Mg  Mg127  1  0.142114  0.745674  0.439507  1
  Mg  Mg128  1  0.142645  0.145304  0.523114  1
  Mg  Mg129  1  0.642334  0.765844  0.464733  1
  Mg  Mg130  1  0.642367  0.165532  0.548421  1
  Mg  Mg131  1  0.859213  0.449559  0.520199  1
  Mg  Mg132  1  0.859438  0.049074  0.436539  1
  Mg  Mg133  1  0.858267  0.712999  0.432550  1
  Mg  Mg134  1  0.859323  0.112620  0.516405  1
  Mg  Mg135  1  0.041702  0.516558  0.555188  1
  Mg  Mg136  1  0.041901  0.115768  0.471537  1
  Mg  Mg137  1  0.999090  0.699721  0.669075  1
  Mg  Mg138  1  1.000700  0.301404  0.584843  1
  Mg  Mg139  1  0.804084  0.217279  0.732492  1
  Mg  Mg140  1  0.830311  0.806796  0.655130  1
  Mg  Mg141  1  0.677788  0.367032  0.666248  1
  Mg  Mg142  1  0.718107  0.766494  0.742356  1
  Mg  Mg143  1  0.175680  0.336539  0.628533  1
  Mg  Mg144  1  0.173288  0.730047  0.711473  1
  Mg  Mg145  1  0.823253  0.594652  0.684695  1
  Mg  Mg146  1  0.825607  0.196485  0.599657  1
  Mg  Mg147  1  0.528095  0.189072  0.739652  1
  Mg  Mg148  1  0.542737  0.784385  0.657816  1
  Mg  Mg149  1  0.960318  0.373864  0.675782  1
  Mg  Mg150  1  0.960262  0.972379  0.591797  1
  Mg  Mg151  1  0.459609  0.330080  0.620455  1
  Mg  Mg152  1  0.467415  0.735766  0.708959  1
  Mg  Mg153  1  0.358600  0.453033  0.608165  1
  Mg  Mg154  1  0.367170  0.855605  0.693878  1
  Mg  Mg155  1  0.641686  0.437050  0.621854  1
  Mg  Mg156  1  0.660428  0.835461  0.701250  1
  Mg  Mg157  1  0.141727  0.456686  0.647159  1
  Mg  Mg158  1  0.141933  0.853853  0.729999  1
  Mg  Mg159  1  0.356871  0.189645  0.694405  1
  Mg  Mg160  1  0.360079  0.789122  0.612845  1
  Mg  Mg161  1  0.641474  0.246736  0.647914  1
  Mg  Mg162  1  0.649567  0.644380  0.731453  1
  Mg  Mg163  1  0.142691  0.267433  0.673343  1
  Mg  Mg164  1  0.142901  0.865583  0.590628  1
  Mg  Mg165  1  0.359254  0.550233  0.645483  1
  Mg  Mg166  1  0.336791  0.956293  0.731024  1
  Mg  Mg167  1  0.360303  0.613102  0.726628  1
  Mg  Mg168  1  0.358233  0.213626  0.641104  1
  Mg  Mg169  1  0.539310  0.621271  0.681438  1
  Mg  Mg170  1  0.541358  0.216119  0.596852  1
  Mg  Mg171  1  0.500414  0.400967  0.708727  1
  Mg  Mg172  1  0.500679  1.001260  0.627664  1
  Mg  Mg173  1  0.320289  0.508918  0.695457  1
  Mg  Mg174  1  0.325327  0.105817  0.612399  1
  Mg  Mg175  1  0.176905  0.666019  0.625657  1
  Mg  Mg176  1  0.164819  0.065849  0.706901  1
  Mg  Mg177  1  0.675997  0.636273  0.587221  1
  Mg  Mg178  1  0.676084  0.036942  0.673256  1
  Mg  Mg179  1  0.330826  0.292290  0.724031  1
  Mg  Mg180  1  0.327316  0.895623  0.642761  1
  Mg  Mg181  1  0.040054  0.485457  0.699111  1
  Mg  Mg182  1  0.041032  0.086062  0.615130  1
  Mg  Mg183  1  0.460233  0.672682  0.633175  1
  Mg  Mg184  1  0.451967  0.074449  0.716561  1
  Mg  Mg185  1  0.949677  0.427712  0.743947  1
  Mg  Mg186  1  0.959664  0.029879  0.662513  1
  Mg  Mg187  1  0.864013  0.553618  0.734751  1
  Mg  Mg188  1  0.857490  0.153038  0.649842  1
  Mg  Mg189  1  0.149570  0.530286  0.746616  1
  Mg  Mg190  1  0.140172  0.137480  0.663360  1
  Mg  Mg191  1  0.643313  0.756494  0.605879  1
  Mg  Mg192  1  0.637000  0.159142  0.688677  1
  Mg  Mg193  1  0.857969  0.489355  0.654297  1
  Mg  Mg194  1  0.841359  0.888935  0.738844  1
  Mg  Mg195  1  0.142369  0.546133  0.606749  1
  Mg  Mg196  1  0.146601  0.944553  0.689683  1
  Mg  Mg197  1  0.642268  0.566838  0.632172  1
  Mg  Mg198  1  0.622710  0.960339  0.716304  1
  Mg  Mg199  1  0.859768  0.251805  0.685321  1
  Mg  Mg200  1  0.859838  0.849405  0.604408  1
  Mg  Mg201  1  0.858891  0.513410  0.599932  1
  Mg  Mg202  1  0.867937  0.913829  0.685636  1
  Mg  Mg203  1  0.042500  0.315149  0.722115  1
  Mg  Mg204  1  0.042406  0.915477  0.639348  1
  Al  Al205  1  0.278113  0.047264  0.340946  1
  Al  Al206  1  0.261871  0.649715  0.262844  1
  Al  Al207  1  0.722398  0.715438  0.275737  1
  Al  Al208  1  0.728072  0.118781  0.356626  1
  Al  Al209  1  0.224746  0.782944  0.353187  1
  Al  Al210  1  0.227635  0.384907  0.272092  1
  Al  Al211  1  0.090362  0.590780  0.380031  1
  Al  Al212  1  0.093353  0.193770  0.295903  1
  Al  Al213  1  0.451907  0.964828  0.265567  1
  Al  Al214  1  0.412236  0.381032  0.345965  1
  Al  Al215  1  0.408481  0.709714  0.337960  1
  Al  Al216  1  0.410605  0.312080  0.258856  1
  Al  Al217  1  0.590664  0.928515  0.383737  1
  Al  Al218  1  0.593872  0.528891  0.301308  1
  Al  Al219  1  0.410891  0.892429  0.413866  1
  Al  Al220  1  0.413228  0.492144  0.330769  1
  Al  Al221  1  0.406516  0.819427  0.321966  1
  Al  Al222  1  0.411376  0.219327  0.406432  1
  Al  Al223  1  0.590380  0.709903  0.414245  1
  Al  Al224  1  0.590864  0.308421  0.330856  1
  Al  Al225  1  0.095205  0.973467  0.326054  1
  Al  Al226  1  0.091309  0.372618  0.410208  1
  Al  Al227  1  0.275194  0.554547  0.410656  1
  Al  Al228  1  0.277174  0.155645  0.325935  1
  Al  Al229  1  0.773188  0.746864  0.383367  1
  Al  Al230  1  0.775167  0.344727  0.300247  1
  Al  Al231  1  0.226541  0.818846  0.398500  1
  Al  Al232  1  0.229412  0.418754  0.315225  1
  Al  Al233  1  0.730662  0.082403  0.311482  1
  Al  Al234  1  0.727490  0.482028  0.395617  1
  Al  Al235  1  0.589219  0.890212  0.337952  1
  Al  Al236  1  0.596607  0.493116  0.257648  1
  Al  Al237  1  0.905278  0.680444  0.305868  1
  Al  Al238  1  0.911672  0.081774  0.387453  1
  Al  Al239  1  0.918327  0.007609  0.296557  1
  Al  Al240  1  0.911697  0.408199  0.379813  1
  Al  Al241  1  0.077185  0.824044  0.263077  1
  Al  Al242  1  0.091634  0.228197  0.341795  1
  Al  Al243  1  0.898195  0.790482  0.290950  1
  Al  Al244  1  0.911558  0.192435  0.371907  1
  Al  Al245  1  0.913346  0.119076  0.281553  1
  Al  Al246  1  0.912051  0.518288  0.365016  1
  Al  Al247  1  0.092618  0.010118  0.372164  1
  Al  Al248  1  0.086405  0.609703  0.290848  1
  Al  Al249  1  0.589073  0.673433  0.367977  1
  Al  Al250  1  0.591819  0.271241  0.286125  1
  Al  Al251  1  0.774101  0.854467  0.368366  1
  Al  Al252  1  0.776922  0.455648  0.286319  1
  Al  Al253  1  0.275370  0.846830  0.509248  1
  Al  Al254  1  0.275418  0.446326  0.425640  1
  Al  Al255  1  0.726957  0.518534  0.440650  1
  Al  Al256  1  0.727340  0.918763  0.524299  1
  Al  Al257  1  0.227165  0.583233  0.520854  1
  Al  Al258  1  0.227283  0.182513  0.437157  1
  Al  Al259  1  0.090858  0.392112  0.546747  1
  Al  Al260  1  0.091357  0.991738  0.463268  1
  Al  Al261  1  0.410474  0.782032  0.429320  1
  Al  Al262  1  0.410980  0.181798  0.513126  1
  Al  Al263  1  0.411031  0.509424  0.505416  1
  Al  Al264  1  0.411453  0.108783  0.421784  1
  Al  Al265  1  0.591416  0.728919  0.551322  1
  Al  Al266  1  0.591263  0.328262  0.467591  1
  Al  Al267  1  0.411448  0.693078  0.581451  1
  Al  Al268  1  0.411050  0.292354  0.497687  1
  Al  Al269  1  0.411060  0.619987  0.490029  1
  Al  Al270  1  0.410951  0.019504  0.573986  1
  Al  Al271  1  0.591068  0.510549  0.581625  1
  Al  Al272  1  0.591338  0.109587  0.498112  1
  Al  Al273  1  0.091084  0.773374  0.493844  1
  Al  Al274  1  0.090460  0.173275  0.577222  1
  Al  Al275  1  0.274864  0.355419  0.577421  1
  Al  Al276  1  0.275327  0.954823  0.494085  1
  Al  Al277  1  0.775275  0.547214  0.550925  1
  Al  Al278  1  0.775401  0.146457  0.467323  1
  Al  Al279  1  0.227204  0.619298  0.566003  1
  Al  Al280  1  0.227127  0.218532  0.482299  1
  Al  Al281  1  0.727158  0.882930  0.479068  1
  Al  Al282  1  0.726675  0.283107  0.562423  1
  Al  Al283  1  0.591320  0.692119  0.505149  1
  Al  Al284  1  0.591467  0.291304  0.421479  1
  Al  Al285  1  0.911064  0.481839  0.471385  1
  Al  Al286  1  0.911196  0.881991  0.555221  1
  Al  Al287  1  0.911047  0.809264  0.463635  1
  Al  Al288  1  0.910625  0.209220  0.547159  1
  Al  Al289  1  0.090768  0.628349  0.425982  1
  Al  Al290  1  0.091114  0.028293  0.509472  1
  Al  Al291  1  0.910797  0.592453  0.456028  1
  Al  Al292  1  0.911326  0.992407  0.539711  1
  Al  Al293  1  0.910876  0.919712  0.448139  1
  Al  Al294  1  0.910805  0.319842  0.531702  1
  Al  Al295  1  0.091518  0.809937  0.540061  1
  Al  Al296  1  0.091207  0.409628  0.456309  1
  Al  Al297  1  0.591133  0.473518  0.535510  1
  Al  Al298  1  0.591268  0.072896  0.451945  1
  Al  Al299  1  0.775454  0.655338  0.535894  1
  Al  Al300  1  0.775451  0.254554  0.452208  1
  Al  Al301  1  0.275478  0.645209  0.677162  1
  Al  Al302  1  0.274514  0.247206  0.592407  1
  Al  Al303  1  0.726556  0.319808  0.607365  1
  Al  Al304  1  0.730455  0.718236  0.691667  1
  Al  Al305  1  0.227642  0.383103  0.687783  1
  Al  Al306  1  0.227352  0.982567  0.604848  1
  Al  Al307  1  0.083613  0.193547  0.712146  1
  Al  Al308  1  0.094036  0.791344  0.631227  1
  Al  Al309  1  0.411122  0.582456  0.596693  1
  Al  Al310  1  0.408613  0.982992  0.681195  1
  Al  Al311  1  0.411081  0.309810  0.672230  1
  Al  Al312  1  0.411908  0.909113  0.589659  1
  Al  Al313  1  0.589361  0.530595  0.716802  1
  Al  Al314  1  0.589286  0.128592  0.635139  1
  Al  Al315  1  0.408772  0.489780  0.744145  1
  Al  Al316  1  0.408679  0.092584  0.665075  1
  Al  Al317  1  0.410682  0.420917  0.657080  1
  Al  Al318  1  0.497309  0.852627  0.738160  1
  Al  Al319  1  0.592790  0.309852  0.745417  1
  Al  Al320  1  0.591735  0.911927  0.665594  1
  Al  Al321  1  0.090338  0.572943  0.661273  1
  Al  Al322  1  0.060596  0.969242  0.737088  1
  Al  Al323  1  0.265622  0.159535  0.739746  1
  Al  Al324  1  0.280008  0.753960  0.662658  1
  Al  Al325  1  0.774518  0.346980  0.716698  1
  Al  Al326  1  0.776223  0.947266  0.635468  1
  Al  Al327  1  0.225779  0.416926  0.731018  1
  Al  Al328  1  0.225925  0.019286  0.649791  1
  Al  Al329  1  0.727962  0.683020  0.646463  1
  Al  Al330  1  0.714687  0.087832  0.727061  1
  Al  Al331  1  0.588833  0.493963  0.672188  1
  Al  Al332  1  0.590804  0.091741  0.589005  1
  Al  Al333  1  0.911102  0.283558  0.637880  1
  Al  Al334  1  0.912051  0.680865  0.721591  1
  Al  Al335  1  0.910818  0.609195  0.631177  1
  Al  Al336  1  0.889119  0.012651  0.712515  1
  Al  Al337  1  0.090709  0.429151  0.592820  1
  Al  Al338  1  0.097904  0.827639  0.677142  1
  Al  Al339  1  0.910727  0.393635  0.623098  1
  Al  Al340  1  0.919119  0.792570  0.706918  1
  Al  Al341  1  0.912146  0.720120  0.615794  1
  Al  Al342  1  0.902669  0.122281  0.698193  1
  Al  Al343  1  0.091842  0.606419  0.707099  1
  Al  Al344  1  0.089806  0.210754  0.623200  1
  Al  Al345  1  0.591234  0.273771  0.701685  1
  Al  Al346  1  0.592031  0.873378  0.619861  1
  Al  Al347  1  0.773060  0.457371  0.702759  1
  Al  Al348  1  0.773714  0.054886  0.620047  1
