# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47716065
_cell_length_b   14.73208736
_cell_length_c   52.18105372
_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   'Mg102 Al72'
_cell_volume   8054.16891253
_cell_formula_units_Z   6
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  0.995826  0.953778  0.301357  1
  Mg  Mg2  1  0.673370  0.630284  0.299293  1
  Mg  Mg3  1  0.665163  0.275538  0.298268  1
  Mg  Mg4  1  0.826800  0.952194  0.349591  1
  Mg  Mg5  1  0.329300  0.952287  0.392365  1
  Mg  Mg6  1  0.145569  0.754533  0.396199  1
  Mg  Mg7  1  0.141561  0.652929  0.344586  1
  Mg  Mg8  1  0.859665  0.792413  0.383933  1
  Mg  Mg9  1  0.042227  0.952315  0.400136  1
  Mg  Mg10  1  0.960595  0.305551  0.297302  1
  Mg  Mg11  1  0.859733  0.111837  0.384257  1
  Mg  Mg12  1  0.356128  0.797843  0.354717  1
  Mg  Mg13  1  0.146003  0.150825  0.396292  1
  Mg  Mg14  1  0.542200  0.952630  0.338461  1
  Mg  Mg15  1  0.459991  0.098100  0.297171  1
  Mg  Mg16  1  0.142659  0.253276  0.344128  1
  Mg  Mg17  1  0.357173  0.107308  0.355021  1
  Mg  Mg18  1  0.492991  0.454928  0.301342  1
  Mg  Mg19  1  0.166472  0.131973  0.298409  1
  Mg  Mg20  1  0.169280  0.776312  0.298694  1
  Mg  Mg21  1  0.324840  0.452843  0.349553  1
  Mg  Mg22  1  0.828987  0.452585  0.392407  1
  Mg  Mg23  1  0.646088  0.254341  0.396330  1
  Mg  Mg24  1  0.642516  0.153030  0.344142  1
  Mg  Mg25  1  0.359748  0.292983  0.384288  1
  Mg  Mg26  1  0.542085  0.452370  0.400346  1
  Mg  Mg27  1  0.462854  0.806324  0.297145  1
  Mg  Mg28  1  0.359227  0.612298  0.384194  1
  Mg  Mg29  1  0.857437  0.298059  0.355201  1
  Mg  Mg30  1  0.645694  0.650604  0.396278  1
  Mg  Mg31  1  0.040199  0.453258  0.338364  1
  Mg  Mg32  1  0.960691  0.095814  0.441403  1
  Mg  Mg33  1  0.641911  0.753159  0.344451  1
  Mg  Mg34  1  0.855480  0.606239  0.355103  1
  Mg  Mg35  1  1.000925  0.452499  0.441767  1
  Mg  Mg36  1  0.674065  0.125154  0.441319  1
  Mg  Mg37  1  0.673881  0.779535  0.441309  1
  Mg  Mg38  1  0.828234  0.452481  0.490910  1
  Mg  Mg39  1  0.328796  0.452557  0.535508  1
  Mg  Mg40  1  0.145346  0.253645  0.539489  1
  Mg  Mg41  1  0.145233  0.151447  0.486631  1
  Mg  Mg42  1  0.858607  0.294397  0.527751  1
  Mg  Mg43  1  0.041854  0.452507  0.543629  1
  Mg  Mg44  1  0.960472  0.809083  0.441297  1
  Mg  Mg45  1  0.858578  0.610576  0.527762  1
  Mg  Mg46  1  0.358412  0.294726  0.498355  1
  Mg  Mg47  1  0.145337  0.651085  0.539440  1
  Mg  Mg48  1  0.541680  0.452462  0.482431  1
  Mg  Mg49  1  0.460497  0.595919  0.441411  1
  Mg  Mg50  1  0.145119  0.753485  0.486671  1
  Mg  Mg51  1  0.358324  0.610184  0.498338  1
  Mg  Mg52  1  0.501022  0.952473  0.441795  1
  Mg  Mg53  1  0.173903  0.625484  0.441321  1
  Mg  Mg54  1  0.174040  0.279768  0.441309  1
  Mg  Mg55  1  0.328110  0.952449  0.490908  1
  Mg  Mg56  1  0.828592  0.952348  0.535530  1
  Mg  Mg57  1  0.645343  0.753659  0.539549  1
  Mg  Mg58  1  0.645064  0.651523  0.486705  1
  Mg  Mg59  1  0.358678  0.794345  0.527782  1
  Mg  Mg60  1  0.541897  0.952463  0.543732  1
  Mg  Mg61  1  0.460746  0.308865  0.441468  1
  Mg  Mg62  1  0.358695  0.110531  0.527777  1
  Mg  Mg63  1  0.858291  0.794850  0.498328  1
  Mg  Mg64  1  0.645271  0.151315  0.539556  1
  Mg  Mg65  1  0.041549  0.952408  0.482366  1
  Mg  Mg66  1  0.960353  0.596471  0.584466  1
  Mg  Mg67  1  0.645208  0.253363  0.486680  1
  Mg  Mg68  1  0.858320  0.110051  0.498333  1
  Mg  Mg69  1  1.000459  0.952236  0.585345  1
  Mg  Mg70  1  0.674081  0.624761  0.584725  1
  Mg  Mg71  1  0.674061  0.280251  0.584690  1
  Mg  Mg72  1  0.828312  0.951976  0.634360  1
  Mg  Mg73  1  0.327527  0.952744  0.678275  1
  Mg  Mg74  1  0.143758  0.750962  0.684398  1
  Mg  Mg75  1  0.146687  0.654056  0.629573  1
  Mg  Mg76  1  0.859996  0.795739  0.670178  1
  Mg  Mg77  1  0.042275  0.950796  0.687321  1
  Mg  Mg78  1  0.960305  0.308415  0.584397  1
  Mg  Mg79  1  0.859487  0.109969  0.669080  1
  Mg  Mg80  1  0.360150  0.794815  0.641764  1
  Mg  Mg81  1  0.142841  0.154001  0.683722  1
  Mg  Mg82  1  0.541920  0.952831  0.624974  1
  Mg  Mg83  1  0.460214  0.096725  0.584555  1
  Mg  Mg84  1  0.146463  0.250694  0.629355  1
  Mg  Mg85  1  0.359558  0.110048  0.641636  1
  Mg  Mg86  1  0.500758  0.452469  0.585395  1
  Mg  Mg87  1  0.173993  0.124473  0.584552  1
  Mg  Mg88  1  0.174102  0.779980  0.584530  1
  Mg  Mg89  1  0.328084  0.452599  0.634216  1
  Mg  Mg90  1  0.828430  0.452722  0.677796  1
  Mg  Mg91  1  0.643653  0.249940  0.685179  1
  Mg  Mg92  1  0.645395  0.154131  0.629728  1
  Mg  Mg93  1  0.360798  0.295311  0.669700  1
  Mg  Mg94  1  0.541913  0.452453  0.688278  1
  Mg  Mg95  1  0.460473  0.808411  0.584602  1
  Mg  Mg96  1  0.360367  0.609458  0.669884  1
  Mg  Mg97  1  0.859854  0.294359  0.641721  1
  Mg  Mg98  1  0.643764  0.653312  0.684590  1
  Mg  Mg99  1  0.041840  0.452087  0.624605  1
  Mg  Mg100  1  0.949333  0.096295  0.724910  1
  Mg  Mg101  1  0.646361  0.750833  0.629812  1
  Mg  Mg102  1  0.859989  0.610307  0.641682  1
  Al  Al103  1  0.410303  0.266592  0.326289  1
  Al  Al104  1  0.911894  0.636384  0.414539  1
  Al  Al105  1  0.092637  0.545850  0.388626  1
  Al  Al106  1  0.278161  0.953072  0.320980  1
  Al  Al107  1  0.728788  0.046794  0.300526  1
  Al  Al108  1  0.092726  0.358955  0.388085  1
  Al  Al109  1  0.093002  0.046151  0.351340  1
  Al  Al110  1  0.410079  0.638075  0.325880  1
  Al  Al111  1  0.781201  0.952187  0.415450  1
  Al  Al112  1  0.229458  0.361135  0.300750  1
  Al  Al113  1  0.912675  0.268813  0.414508  1
  Al  Al114  1  0.090987  0.858911  0.351128  1
  Al  Al115  1  0.911272  0.761591  0.325473  1
  Al  Al116  1  0.412635  0.136042  0.414509  1
  Al  Al117  1  0.592986  0.046284  0.388099  1
  Al  Al118  1  0.775994  0.451552  0.321565  1
  Al  Al119  1  0.216823  0.548153  0.300816  1
  Al  Al120  1  0.592374  0.858839  0.388375  1
  Al  Al121  1  0.590145  0.545801  0.351582  1
  Al  Al122  1  0.910443  0.139229  0.326487  1
  Al  Al123  1  0.281155  0.452474  0.415538  1
  Al  Al124  1  0.729462  0.861897  0.301378  1
  Al  Al125  1  0.411970  0.768670  0.414551  1
  Al  Al126  1  0.592925  0.358999  0.351388  1
  Al  Al127  1  0.411660  0.768306  0.468438  1
  Al  Al128  1  0.911602  0.135897  0.557582  1
  Al  Al129  1  0.092626  0.046576  0.531443  1
  Al  Al130  1  0.279564  0.452456  0.467016  1
  Al  Al131  1  0.722337  0.543403  0.441595  1
  Al  Al132  1  0.092504  0.858206  0.531482  1
  Al  Al133  1  0.092142  0.546735  0.494476  1
  Al  Al134  1  0.411715  0.136540  0.468438  1
  Al  Al135  1  0.779931  0.452509  0.559109  1
  Al  Al136  1  0.222346  0.861537  0.441562  1
  Al  Al137  1  0.911706  0.768819  0.557695  1
  Al  Al138  1  0.092266  0.358125  0.494558  1
  Al  Al139  1  0.911724  0.268156  0.468429  1
  Al  Al140  1  0.411757  0.636197  0.557758  1
  Al  Al141  1  0.592444  0.546714  0.531546  1
  Al  Al142  1  0.779357  0.952441  0.466954  1
  Al  Al143  1  0.222558  0.043259  0.441502  1
  Al  Al144  1  0.592530  0.358241  0.531519  1
  Al  Al145  1  0.592269  0.046720  0.494614  1
  Al  Al146  1  0.911557  0.636832  0.468428  1
  Al  Al147  1  0.280058  0.952379  0.559088  1
  Al  Al148  1  0.722655  0.361641  0.441578  1
  Al  Al149  1  0.411714  0.268866  0.557722  1
  Al  Al150  1  0.592208  0.858184  0.494588  1
  Al  Al151  1  0.413180  0.269254  0.611704  1
  Al  Al152  1  0.913684  0.634354  0.698836  1
  Al  Al153  1  0.094424  0.545844  0.672170  1
  Al  Al154  1  0.279386  0.952363  0.610619  1
  Al  Al155  1  0.721928  0.043542  0.584910  1
  Al  Al156  1  0.094142  0.357145  0.672359  1
  Al  Al157  1  0.092616  0.046808  0.638324  1
  Al  Al158  1  0.413272  0.636070  0.611744  1
  Al  Al159  1  0.774160  0.954611  0.700933  1
  Al  Al160  1  0.222457  0.361562  0.584745  1
  Al  Al161  1  0.912125  0.270986  0.698870  1
  Al  Al162  1  0.093951  0.856693  0.638102  1
  Al  Al163  1  0.912442  0.768446  0.611656  1
  Al  Al164  1  0.408006  0.134799  0.699211  1
  Al  Al165  1  0.593818  0.047579  0.673053  1
  Al  Al166  1  0.778995  0.452432  0.610676  1
  Al  Al167  1  0.222340  0.543801  0.584810  1
  Al  Al168  1  0.594831  0.859131  0.672618  1
  Al  Al169  1  0.593623  0.546982  0.638604  1
  Al  Al170  1  0.912569  0.136204  0.611337  1
  Al  Al171  1  0.271889  0.451920  0.700268  1
  Al  Al172  1  0.722271  0.861213  0.584902  1
  Al  Al173  1  0.413301  0.770055  0.698915  1
  Al  Al174  1  0.594116  0.357385  0.638837  1
