# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.82283863
_cell_length_b   23.47257918
_cell_length_c   49.07433594
_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   16198.2418711
_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  0.883049  0.781927  0.296590  1
  Mg  Mg2  1  0.103475  0.222910  0.361219  1
  Mg  Mg3  1  0.735757  0.862267  0.306707  1
  Mg  Mg4  1  0.963827  0.300280  0.372080  1
  Mg  Mg5  1  0.432075  0.880105  0.362276  1
  Mg  Mg6  1  0.203982  0.423813  0.297746  1
  Mg  Mg7  1  0.081041  0.178114  0.301059  1
  Mg  Mg8  1  0.304598  0.625072  0.368326  1
  Mg  Mg9  1  0.110677  0.862269  0.306707  1
  Mg  Mg10  1  0.320581  0.300310  0.372080  1
  Mg  Mg11  1  0.846100  0.986249  0.322511  1
  Mg  Mg12  1  0.064095  0.425820  0.393560  1
  Mg  Mg13  1  0.372930  0.761684  0.330334  1
  Mg  Mg14  1  0.596209  0.208382  0.404034  1
  Mg  Mg15  1  0.460881  0.937792  0.430345  1
  Mg  Mg16  1  0.238561  0.492922  0.357188  1
  Mg  Mg17  1  0.850319  0.099056  0.288994  1
  Mg  Mg18  1  0.056611  0.540069  0.358917  1
  Mg  Mg19  1  0.268297  0.869696  0.400630  1
  Mg  Mg20  1  0.043652  0.418381  0.332017  1
  Mg  Mg21  1  0.391009  0.114452  0.407831  1
  Mg  Mg22  1  0.166731  0.668440  0.335973  1
  Mg  Mg23  1  0.806090  0.027228  0.380727  1
  Mg  Mg24  1  0.596377  0.593825  0.307265  1
  Mg  Mg25  1  0.585498  0.869719  0.400626  1
  Mg  Mg26  1  0.358900  0.418393  0.332013  1
  Mg  Mg27  1  0.707440  0.114455  0.407848  1
  Mg  Mg28  1  0.485942  0.668450  0.335999  1
  Mg  Mg29  1  0.205190  0.027276  0.380711  1
  Mg  Mg30  1  0.981664  0.593840  0.307255  1
  Mg  Mg31  1  0.232760  0.099034  0.289004  1
  Mg  Mg32  1  0.467663  0.540070  0.358931  1
  Mg  Mg33  1  0.124297  0.986217  0.322512  1
  Mg  Mg34  1  0.345907  0.425823  0.393558  1
  Mg  Mg35  1  0.490615  0.997059  0.326952  1
  Mg  Mg36  1  0.714646  0.445083  0.396287  1
  Mg  Mg37  1  0.350413  0.078730  0.337409  1
  Mg  Mg38  1  0.577277  0.521742  0.408553  1
  Mg  Mg39  1  0.044857  0.105805  0.398608  1
  Mg  Mg40  1  0.821178  0.658189  0.327826  1
  Mg  Mg41  1  0.917188  0.850355  0.404981  1
  Mg  Mg42  1  0.697438  0.410731  0.334436  1
  Mg  Mg43  1  0.712546  0.078815  0.337437  1
  Mg  Mg44  1  0.928782  0.521778  0.408557  1
  Mg  Mg45  1  0.455146  0.203960  0.357209  1
  Mg  Mg46  1  0.673821  0.648166  0.429308  1
  Mg  Mg47  1  0.985672  0.987259  0.368932  1
  Mg  Mg48  1  0.759577  0.534930  0.297899  1
  Mg  Mg49  1  0.850213  0.716213  0.394976  1
  Mg  Mg50  1  0.628195  0.272286  0.322519  1
  Mg  Mg51  1  0.673554  0.764524  0.396673  1
  Mg  Mg52  1  0.453820  0.319184  0.322988  1
  Mg  Mg53  1  0.435297  0.192335  0.294377  1
  Mg  Mg54  1  0.657625  0.649079  0.364601  1
  Mg  Mg55  1  0.779485  0.893335  0.371379  1
  Mg  Mg56  1  0.545265  0.460156  0.306391  1
  Mg  Mg57  1  0.197455  0.803147  0.345435  1
  Mg  Mg58  1  0.417797  0.249751  0.416199  1
  Mg  Mg59  1  0.741137  0.192348  0.294374  1
  Mg  Mg60  1  0.975717  0.649121  0.364590  1
  Mg  Mg61  1  0.097980  0.893350  0.371391  1
  Mg  Mg62  1  0.899110  0.460176  0.306398  1
  Mg  Mg63  1  0.589823  0.803180  0.345437  1
  Mg  Mg64  1  0.816005  0.249774  0.416206  1
  Mg  Mg65  1  0.075099  0.764559  0.396684  1
  Mg  Mg66  1  0.849490  0.319193  0.322993  1
  Mg  Mg67  1  0.732869  0.203988  0.357216  1
  Mg  Mg68  1  0.958625  0.648194  0.429319  1
  Mg  Mg69  1  0.324768  0.665398  0.431848  1
  Mg  Mg70  1  0.547146  0.110554  0.504268  1
  Mg  Mg71  1  0.188866  0.743176  0.444329  1
  Mg  Mg72  1  0.411059  0.188225  0.516794  1
  Mg  Mg73  1  0.878116  0.771768  0.505679  1
  Mg  Mg74  1  0.655813  0.327489  0.433500  1
  Mg  Mg75  1  0.527585  0.071339  0.441783  1
  Mg  Mg76  1  0.750560  0.516442  0.513355  1
  Mg  Mg77  1  0.538406  0.743224  0.444338  1
  Mg  Mg78  1  0.761042  0.188264  0.516800  1
  Mg  Mg79  1  0.285837  0.869818  0.465256  1
  Mg  Mg80  1  0.508839  0.314734  0.537255  1
  Mg  Mg81  1  0.818691  0.652996  0.475870  1
  Mg  Mg82  1  0.040571  0.097457  0.548159  1
  Mg  Mg83  1  0.905491  0.826835  0.574530  1
  Mg  Mg84  1  0.683579  0.382872  0.502161  1
  Mg  Mg85  1  0.285972  0.986634  0.432982  1
  Mg  Mg86  1  0.508450  0.431355  0.504663  1
  Mg  Mg87  1  0.712794  0.759247  0.544129  1
  Mg  Mg88  1  0.491189  0.314530  0.472538  1
  Mg  Mg89  1  0.835076  0.003388  0.551511  1
  Mg  Mg90  1  0.612912  0.559075  0.479418  1
  Mg  Mg91  1  0.249740  0.915857  0.524189  1
  Mg  Mg92  1  0.028188  0.471780  0.452211  1
  Mg  Mg93  1  0.030831  0.759267  0.544366  1
  Mg  Mg94  1  0.807504  0.314568  0.472549  1
  Mg  Mg95  1  0.151757  0.003329  0.551563  1
  Mg  Mg96  1  0.930620  0.559122  0.479432  1
  Mg  Mg97  1  0.649661  0.915856  0.524153  1
  Mg  Mg98  1  0.427834  0.471787  0.452190  1
  Mg  Mg99  1  0.684602  0.986650  0.433004  1
  Mg  Mg100  1  0.907237  0.431427  0.504704  1
  Mg  Mg101  1  0.567872  0.869827  0.465252  1
  Mg  Mg102  1  0.790107  0.314804  0.537281  1
  Mg  Mg103  1  0.936265  0.888525  0.468206  1
  Mg  Mg104  1  0.158823  0.333436  0.540042  1
  Mg  Mg105  1  0.799872  0.966179  0.480892  1
  Mg  Mg106  1  0.022472  0.411148  0.552617  1
  Mg  Mg107  1  0.488575  0.993888  0.541820  1
  Mg  Mg108  1  0.266779  0.549426  0.469430  1
  Mg  Mg109  1  0.360776  0.738506  0.549059  1
  Mg  Mg110  1  0.139236  0.294415  0.477522  1
  Mg  Mg111  1  0.150243  0.966243  0.480888  1
  Mg  Mg112  1  0.373053  0.411066  0.552583  1
  Mg  Mg113  1  0.897045  0.092714  0.501459  1
  Mg  Mg114  1  0.119939  0.537513  0.573347  1
  Mg  Mg115  1  0.429193  0.874836  0.511969  1
  Mg  Mg116  1  0.207324  0.430451  0.440410  1
  Mg  Mg117  1  0.294706  0.605036  0.538021  1
  Mg  Mg118  1  0.072361  0.160777  0.466447  1
  Mg  Mg119  1  0.119721  0.653658  0.540669  1
  Mg  Mg120  1  0.896666  0.209185  0.468880  1
  Mg  Mg121  1  0.879052  0.092387  0.436932  1
  Mg  Mg122  1  0.101994  0.536980  0.508406  1
  Mg  Mg123  1  0.223924  0.780940  0.515242  1
  Mg  Mg124  1  1.001334  0.336893  0.443725  1
  Mg  Mg125  1  0.639025  0.693861  0.487953  1
  Mg  Mg126  1  0.861400  0.138500  0.560163  1
  Mg  Mg127  1  0.197289  0.092400  0.436920  1
  Mg  Mg128  1  0.419294  0.536932  0.508347  1
  Mg  Mg129  1  0.540773  0.780905  0.515207  1
  Mg  Mg130  1  0.319694  0.336891  0.443725  1
  Mg  Mg131  1  0.039111  0.693929  0.488022  1
  Mg  Mg132  1  0.260832  0.138445  0.560176  1
  Mg  Mg133  1  0.518551  0.653540  0.540561  1
  Mg  Mg134  1  0.296486  0.209179  0.468874  1
  Mg  Mg135  1  0.179453  0.092710  0.501469  1
  Mg  Mg136  1  0.402139  0.537438  0.573234  1
  Mg  Mg137  1  0.769870  0.554682  0.576296  1
  Mg  Mg138  1  0.991270  0.999806  0.647643  1
  Mg  Mg139  1  0.633727  0.632562  0.588617  1
  Mg  Mg140  1  0.851747  0.078647  0.660168  1
  Mg  Mg141  1  0.324635  0.659368  0.651428  1
  Mg  Mg142  1  0.100479  0.217023  0.577663  1
  Mg  Mg143  1  0.971514  0.959969  0.585371  1
  Mg  Mg144  1  0.197260  0.408656  0.656650  1
  Mg  Mg145  1  0.984327  0.632613  0.588763  1
  Mg  Mg146  1  0.209711  0.078422  0.660198  1
  Mg  Mg147  1  0.727582  0.759919  0.608428  1
  Mg  Mg148  1  0.958406  0.204660  0.680984  1
  Mg  Mg149  1  0.263573  0.542309  0.620336  1
  Mg  Mg150  1  0.487478  0.992210  0.691615  1
  Mg  Mg151  1  0.355208  0.723247  0.714944  1
  Mg  Mg152  1  0.128874  0.273527  0.645622  1
  Mg  Mg153  1  0.731100  0.876152  0.576530  1
  Mg  Mg154  1  0.954318  0.320604  0.647115  1
  Mg  Mg155  1  0.157171  0.654956  0.688079  1
  Mg  Mg156  1  0.936032  0.203149  0.616468  1
  Mg  Mg157  1  0.283627  0.890213  0.693695  1
  Mg  Mg158  1  0.056840  0.449096  0.623822  1
  Mg  Mg159  1  0.688792  0.802849  0.667938  1
  Mg  Mg160  1  0.473652  0.360888  0.595915  1
  Mg  Mg161  1  0.493727  0.660079  0.688193  1
  Mg  Mg162  1  0.250874  0.203047  0.616471  1
  Mg  Mg163  1  0.589071  0.890127  0.693715  1
  Mg  Mg164  1  0.377394  0.449106  0.623693  1
  Mg  Mg165  1  0.094014  0.803720  0.668837  1
  Mg  Mg166  1  0.871802  0.360954  0.595981  1
  Mg  Mg167  1  0.128596  0.875997  0.576737  1
  Mg  Mg168  1  0.350745  0.320503  0.647019  1
  Mg  Mg169  1  0.015661  0.759556  0.609126  1
  Mg  Mg170  1  0.230040  0.204573  0.680959  1
  Mg  Mg171  1  0.380498  0.777908  0.612135  1
  Mg  Mg172  1  0.601610  0.219229  0.680585  1
  Mg  Mg173  1  0.242262  0.855577  0.624751  1
  Mg  Mg174  1  0.455040  0.299260  0.693698  1
  Mg  Mg175  1  0.930652  0.879507  0.685366  1
  Mg  Mg176  1  0.711744  0.438099  0.614330  1
  Mg  Mg177  1  0.802329  0.623986  0.683991  1
  Mg  Mg178  1  0.582985  0.181994  0.620524  1
  Mg  Mg179  1  0.595940  0.856301  0.624250  1
  Mg  Mg180  1  0.828344  0.299004  0.693725  1
  Mg  Mg181  1  0.339904  0.981455  0.645699  1
  Mg  Mg182  1  0.570819  0.424452  0.715828  1
  Mg  Mg183  1  0.871910  0.764097  0.652598  1
  Mg  Mg184  1  0.651750  0.319181  0.584312  1
  Mg  Mg185  1  0.737686  0.489752  0.679566  1
  Mg  Mg186  1  0.515916  0.048617  0.610908  1
  Mg  Mg187  1  0.562407  0.541569  0.684876  1
  Mg  Mg188  1  0.341936  0.097954  0.612566  1
  Mg  Mg189  1  0.323167  0.981362  0.580521  1
  Mg  Mg190  1  0.546963  0.423849  0.652706  1
  Mg  Mg191  1  0.668265  0.669267  0.655196  1
  Mg  Mg192  1  0.445729  0.225733  0.587528  1
  Mg  Mg193  1  0.084128  0.583499  0.632675  1
  Mg  Mg194  1  0.299612  0.024363  0.704075  1
  Mg  Mg195  1  0.641331  0.981323  0.580484  1
  Mg  Mg196  1  0.862054  0.423900  0.652816  1
  Mg  Mg197  1  0.986259  0.670650  0.657614  1
  Mg  Mg198  1  0.763976  0.225758  0.587504  1
  Mg  Mg199  1  0.484210  0.583875  0.632191  1
  Mg  Mg200  1  0.707522  0.024389  0.704072  1
  Mg  Mg201  1  0.964796  0.541483  0.685399  1
  Mg  Mg202  1  0.739390  0.097945  0.612500  1
  Mg  Mg203  1  0.624243  0.981556  0.645689  1
  Mg  Mg204  1  0.838706  0.424190  0.715923  1
  Al  Al205  1  0.134248  0.101674  0.342455  1
  Al  Al206  1  0.354726  0.543716  0.411796  1
  Al  Al207  1  0.395639  0.807219  0.425864  1
  Al  Al208  1  0.172672  0.361206  0.354885  1
  Al  Al209  1  0.542066  0.100066  0.370765  1
  Al  Al210  1  0.311429  0.638587  0.306386  1
  Al  Al211  1  0.889251  0.162054  0.380700  1
  Al  Al212  1  0.676766  0.724309  0.312687  1
  Al  Al213  1  0.068823  0.969255  0.422654  1
  Al  Al214  1  0.847730  0.528138  0.350880  1
  Al  Al215  1  0.583930  0.998476  0.383263  1
  Al  Al216  1  0.364512  0.543531  0.311524  1
  Al  Al217  1  0.296372  0.980893  0.295150  1
  Al  Al218  1  0.523174  0.423746  0.364166  1
  Al  Al219  1  0.884399  0.969243  0.422654  1
  Al  Al220  1  0.664622  0.528133  0.350877  1
  Al  Al221  1  0.398566  0.998462  0.383261  1
  Al  Al222  1  0.163210  0.543508  0.311518  1
  Al  Al223  1  0.668684  0.980920  0.295165  1
  Al  Al224  1  0.884739  0.423773  0.364168  1
  Al  Al225  1  0.256773  0.162078  0.380700  1
  Al  Al226  1  0.031709  0.724305  0.312666  1
  Al  Al227  1  0.951352  0.101698  0.342466  1
  Al  Al228  1  0.173129  0.543719  0.411795  1
  Al  Al229  1  0.523820  0.878123  0.307063  1
  Al  Al230  1  0.743329  0.322189  0.375847  1
  Al  Al231  1  0.560823  0.137551  0.321496  1
  Al  Al232  1  0.785667  0.587059  0.390436  1
  Al  Al233  1  0.933264  0.882386  0.334379  1
  Al  Al234  1  0.153819  0.323524  0.406374  1
  Al  Al235  1  0.277910  0.939049  0.344960  1
  Al  Al236  1  0.502072  0.383382  0.416248  1
  Al  Al237  1  0.455391  0.745493  0.385887  1
  Al  Al238  1  0.233215  0.300064  0.315490  1
  Al  Al239  1  0.973123  0.780141  0.349544  1
  Al  Al240  1  0.195664  0.221766  0.419385  1
  Al  Al241  1  0.907238  0.200998  0.328337  1
  Al  Al242  1  0.133020  0.645544  0.398421  1
  Al  Al243  1  0.274216  0.745498  0.385876  1
  Al  Al244  1  0.050948  0.300062  0.315489  1
  Al  Al245  1  0.791181  0.780143  0.349555  1
  Al  Al246  1  0.010101  0.221758  0.419389  1
  Al  Al247  1  0.277778  0.201011  0.328333  1
  Al  Al248  1  0.496691  0.645573  0.398426  1
  Al  Al249  1  0.645270  0.939075  0.344971  1
  Al  Al250  1  0.865483  0.383399  0.416249  1
  Al  Al251  1  0.338422  0.878114  0.307057  1
  Al  Al252  1  0.562945  0.322181  0.375845  1
  Al  Al253  1  0.576330  0.988421  0.484632  1
  Al  Al254  1  0.798975  0.433241  0.556455  1
  Al  Al255  1  0.841011  0.697195  0.569797  1
  Al  Al256  1  0.618170  0.252305  0.497999  1
  Al  Al257  1  0.987030  0.990265  0.513878  1
  Al  Al258  1  0.765216  0.546082  0.441834  1
  Al  Al259  1  0.334581  0.050058  0.524241  1
  Al  Al260  1  0.113038  0.605426  0.451674  1
  Al  Al261  1  0.512733  0.858184  0.565996  1
  Al  Al262  1  0.291270  0.413616  0.494322  1
  Al  Al263  1  0.027966  0.887783  0.526999  1
  Al  Al264  1  0.806265  0.443706  0.455038  1
  Al  Al265  1  0.744113  0.869000  0.435289  1
  Al  Al266  1  0.966087  0.313485  0.507331  1
  Al  Al267  1  0.328016  0.857925  0.566114  1
  Al  Al268  1  0.106588  0.413650  0.494334  1
  Al  Al269  1  0.843789  0.887784  0.526960  1
  Al  Al270  1  0.621720  0.443687  0.455030  1
  Al  Al271  1  0.108894  0.869042  0.435292  1
  Al  Al272  1  0.331504  0.313447  0.507316  1
  Al  Al273  1  0.699055  0.050082  0.524240  1
  Al  Al274  1  0.476594  0.605436  0.451679  1
  Al  Al275  1  0.395729  0.988428  0.484636  1
  Al  Al276  1  0.618980  0.433151  0.556396  1
  Al  Al277  1  0.965764  0.766823  0.448372  1
  Al  Al278  1  0.187914  0.211289  0.520533  1
  Al  Al279  1  0.007155  0.030400  0.462326  1
  Al  Al280  1  0.229687  0.475007  0.533883  1
  Al  Al281  1  0.375768  0.767608  0.477534  1
  Al  Al282  1  0.598161  0.212429  0.549755  1
  Al  Al283  1  0.723796  0.827962  0.488003  1
  Al  Al284  1  0.946231  0.272879  0.560190  1
  Al  Al285  1  0.902445  0.635761  0.530192  1
  Al  Al286  1  0.679669  0.191117  0.458350  1
  Al  Al287  1  0.417050  0.665364  0.490711  1
  Al  Al288  1  0.638770  0.109984  0.563092  1
  Al  Al289  1  0.355197  0.090917  0.471491  1
  Al  Al290  1  0.577744  0.535494  0.543130  1
  Al  Al291  1  0.718087  0.635747  0.530110  1
  Al  Al292  1  0.495393  0.191102  0.458343  1
  Al  Al293  1  0.232382  0.665353  0.490726  1
  Al  Al294  1  0.454797  0.109993  0.563110  1
  Al  Al295  1  0.719539  0.090935  0.471497  1
  Al  Al296  1  0.942510  0.535606  0.543241  1
  Al  Al297  1  0.088156  0.828002  0.488039  1
  Al  Al298  1  0.310738  0.272811  0.560177  1
  Al  Al299  1  0.785204  0.766832  0.448364  1
  Al  Al300  1  0.007332  0.211308  0.520535  1
  Al  Al301  1  0.020804  0.877460  0.628926  1
  Al  Al302  1  0.246856  0.325119  0.696612  1
  Al  Al303  1  0.295211  0.596639  0.707205  1
  Al  Al304  1  0.062636  0.141786  0.641622  1
  Al  Al305  1  0.432279  0.882207  0.656139  1
  Al  Al306  1  0.210362  0.436108  0.585721  1
  Al  Al307  1  0.777002  0.938583  0.667496  1
  Al  Al308  1  0.557355  0.494469  0.595875  1
  Al  Al309  1  0.938913  0.745506  0.704276  1
  Al  Al310  1  0.735456  0.301451  0.638291  1
  Al  Al311  1  0.472680  0.778268  0.668749  1
  Al  Al312  1  0.250972  0.333664  0.598602  1
  Al  Al313  1  0.189021  0.757749  0.579120  1
  Al  Al314  1  0.408105  0.201953  0.650344  1
  Al  Al315  1  0.763509  0.736272  0.703616  1
  Al  Al316  1  0.550457  0.301446  0.638284  1
  Al  Al317  1  0.288126  0.777471  0.669119  1
  Al  Al318  1  0.067093  0.333700  0.598621  1
  Al  Al319  1  0.552249  0.758199  0.578656  1
  Al  Al320  1  0.777803  0.201855  0.650342  1
  Al  Al321  1  0.143699  0.938539  0.667603  1
  Al  Al322  1  0.922062  0.494599  0.596022  1
  Al  Al323  1  0.839085  0.877474  0.628917  1
  Al  Al324  1  0.063206  0.325217  0.696600  1
  Al  Al325  1  0.409599  0.655640  0.592328  1
  Al  Al326  1  0.633508  0.099579  0.663924  1
  Al  Al327  1  0.451028  0.919574  0.605386  1
  Al  Al328  1  0.671553  0.358359  0.678882  1
  Al  Al329  1  0.821236  0.655598  0.620874  1
  Al  Al330  1  0.042241  0.101249  0.691594  1
  Al  Al331  1  0.169513  0.717010  0.632005  1
  Al  Al332  1  0.381944  0.159487  0.699847  1
  Al  Al333  1  0.351917  0.528843  0.673339  1
  Al  Al334  1  0.123952  0.079849  0.602222  1
  Al  Al335  1  0.863288  0.553892  0.635201  1
  Al  Al336  1  0.082190  1.000184  0.703660  1
  Al  Al337  1  0.799061  0.979833  0.615386  1
  Al  Al338  1  0.019393  0.424292  0.685711  1
  Al  Al339  1  0.164616  0.528234  0.673708  1
  Al  Al340  1  0.939322  0.079894  0.602215  1
  Al  Al341  1  0.676172  0.553297  0.634865  1
  Al  Al342  1  0.900458  1.000515  0.703576  1
  Al  Al343  1  0.163677  0.979733  0.615447  1
  Al  Al344  1  0.390275  0.423861  0.685692  1
  Al  Al345  1  0.531726  0.717773  0.631372  1
  Al  Al346  1  0.761224  0.159467  0.699875  1
  Al  Al347  1  0.230151  0.655555  0.592665  1
  Al  Al348  1  0.449610  0.099535  0.663925  1
