# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49053842
_cell_length_b   10.49053842
_cell_length_c   52.54551377
_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   'Mg68 Al48'
_cell_volume   5782.70716112
_cell_formula_units_Z   4
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  1.002328  0.002328  0.310102  1
  Mg  Mg2  1  0.825752  0.178905  0.342005  1
  Mg  Mg3  1  0.676902  0.327755  0.437223  1
  Mg  Mg4  1  0.827109  0.827109  0.468195  1
  Mg  Mg5  1  0.177547  0.177547  0.468195  1
  Mg  Mg6  1  0.859671  0.463344  0.330555  1
  Mg  Mg7  1  0.643341  0.043292  0.431165  1
  Mg  Mg8  1  0.860151  0.543112  0.474545  1
  Mg  Mg9  1  0.637352  0.637352  0.309751  1
  Mg  Mg10  1  0.643475  0.361182  0.494763  1
  Mg  Mg11  1  0.543112  0.860151  0.474545  1
  Mg  Mg12  1  0.963486  0.642815  0.374184  1
  Mg  Mg13  1  0.961365  0.361315  0.431165  1
  Mg  Mg14  1  0.859850  0.859850  0.411533  1
  Mg  Mg15  1  0.361182  0.643475  0.494763  1
  Mg  Mg16  1  0.043292  0.643341  0.431165  1
  Mg  Mg17  1  0.144506  0.461545  0.474545  1
  Mg  Mg18  1  0.502328  0.502328  0.400939  1
  Mg  Mg19  1  0.327755  0.676902  0.437223  1
  Mg  Mg20  1  0.178905  0.825752  0.342005  1
  Mg  Mg21  1  0.323035  0.323035  0.365467  1
  Mg  Mg22  1  0.681622  0.681622  0.365467  1
  Mg  Mg23  1  0.361315  0.961365  0.431165  1
  Mg  Mg24  1  0.144985  0.541313  0.330555  1
  Mg  Mg25  1  0.361841  0.041170  0.374184  1
  Mg  Mg26  1  0.144807  0.144807  0.411533  1
  Mg  Mg27  1  0.144087  0.860570  0.395909  1
  Mg  Mg28  1  0.041170  0.361841  0.374184  1
  Mg  Mg29  1  0.461545  0.144506  0.474545  1
  Mg  Mg30  1  0.463344  0.859671  0.330555  1
  Mg  Mg31  1  0.367304  0.367304  0.309751  1
  Mg  Mg32  1  0.860570  0.144087  0.395909  1
  Mg  Mg33  1  0.541313  0.144985  0.330555  1
  Mg  Mg34  1  0.642815  0.963486  0.374184  1
  Mg  Mg35  1  1.002328  0.002328  0.503167  1
  Mg  Mg36  1  0.827179  0.177478  0.538222  1
  Mg  Mg37  1  0.681439  0.323217  0.640789  1
  Mg  Mg38  1  0.827823  0.827823  0.664613  1
  Mg  Mg39  1  0.176833  0.176833  0.664613  1
  Mg  Mg40  1  0.860120  0.461530  0.531686  1
  Mg  Mg41  1  0.642361  0.041568  0.631797  1
  Mg  Mg42  1  0.859513  0.542520  0.675545  1
  Mg  Mg43  1  0.643556  0.643556  0.511452  1
  Mg  Mg44  1  0.633605  0.371052  0.696400  1
  Mg  Mg45  1  0.542520  0.859513  0.675545  1
  Mg  Mg46  1  0.961463  0.643500  0.575025  1
  Mg  Mg47  1  0.963089  0.362295  0.631797  1
  Mg  Mg48  1  0.860627  0.860627  0.610420  1
  Mg  Mg49  1  0.371052  0.633605  0.696400  1
  Mg  Mg50  1  0.041568  0.642361  0.631797  1
  Mg  Mg51  1  0.145144  0.462137  0.675545  1
  Mg  Mg52  1  0.502328  0.502328  0.605198  1
  Mg  Mg53  1  0.323217  0.681439  0.640789  1
  Mg  Mg54  1  0.177478  0.827179  0.538222  1
  Mg  Mg55  1  0.327714  0.327714  0.568964  1
  Mg  Mg56  1  0.676943  0.676943  0.568964  1
  Mg  Mg57  1  0.362295  0.963089  0.631797  1
  Mg  Mg58  1  0.144536  0.543126  0.531686  1
  Mg  Mg59  1  0.361156  0.043193  0.575025  1
  Mg  Mg60  1  0.144030  0.144030  0.610420  1
  Mg  Mg61  1  0.144465  0.860192  0.595032  1
  Mg  Mg62  1  0.043193  0.361156  0.575025  1
  Mg  Mg63  1  0.462137  0.145144  0.675545  1
  Mg  Mg64  1  0.461530  0.860120  0.531686  1
  Mg  Mg65  1  0.361100  0.361100  0.511452  1
  Mg  Mg66  1  0.860192  0.144465  0.595032  1
  Mg  Mg67  1  0.543126  0.144536  0.531686  1
  Mg  Mg68  1  0.643500  0.961463  0.575025  1
  Al  Al69  1  0.092465  0.727708  0.485113  1
  Al  Al70  1  0.912192  0.276949  0.485113  1
  Al  Al71  1  0.591542  0.775714  0.420067  1
  Al  Al72  1  0.911060  0.911060  0.359421  1
  Al  Al73  1  0.412362  0.592294  0.346484  1
  Al  Al74  1  0.775714  0.591542  0.420067  1
  Al  Al75  1  0.228943  0.413115  0.420067  1
  Al  Al76  1  0.228931  0.592495  0.383634  1
  Al  Al77  1  0.592443  0.592443  0.457231  1
  Al  Al78  1  0.592294  0.412362  0.346484  1
  Al  Al79  1  0.276949  0.912192  0.485113  1
  Al  Al80  1  0.910027  0.731096  0.323220  1
  Al  Al81  1  0.592495  0.228931  0.383634  1
  Al  Al82  1  0.412162  0.775726  0.383634  1
  Al  Al83  1  0.094630  0.273560  0.323220  1
  Al  Al84  1  0.412213  0.412213  0.457231  1
  Al  Al85  1  0.912363  0.092293  0.448486  1
  Al  Al86  1  0.273560  0.094630  0.323220  1
  Al  Al87  1  0.731096  0.910027  0.323220  1
  Al  Al88  1  0.727708  0.092465  0.485113  1
  Al  Al89  1  0.093597  0.093597  0.359421  1
  Al  Al90  1  0.092293  0.912363  0.448486  1
  Al  Al91  1  0.775726  0.412162  0.383634  1
  Al  Al92  1  0.413115  0.228943  0.420067  1
  Al  Al93  1  0.099319  0.726280  0.682469  1
  Al  Al94  1  0.905338  0.278376  0.682469  1
  Al  Al95  1  0.593211  0.776099  0.622550  1
  Al  Al96  1  0.912383  0.912383  0.557842  1
  Al  Al97  1  0.412199  0.592457  0.548981  1
  Al  Al98  1  0.776099  0.593211  0.622550  1
  Al  Al99  1  0.228557  0.411446  0.622550  1
  Al  Al100  1  0.228949  0.591514  0.586158  1
  Al  Al101  1  0.592568  0.592568  0.659499  1
  Al  Al102  1  0.592457  0.412199  0.548981  1
  Al  Al103  1  0.278376  0.905338  0.682469  1
  Al  Al104  1  0.912260  0.727740  0.521170  1
  Al  Al105  1  0.591514  0.228949  0.586158  1
  Al  Al106  1  0.413143  0.775708  0.586158  1
  Al  Al107  1  0.092397  0.276916  0.521170  1
  Al  Al108  1  0.412088  0.412088  0.659499  1
  Al  Al109  1  0.911142  0.093515  0.647419  1
  Al  Al110  1  0.276916  0.092397  0.521170  1
  Al  Al111  1  0.727740  0.912260  0.521170  1
  Al  Al112  1  0.726280  0.099319  0.682469  1
  Al  Al113  1  0.092273  0.092273  0.557842  1
  Al  Al114  1  0.093515  0.911142  0.647419  1
  Al  Al115  1  0.775708  0.413143  0.586158  1
  Al  Al116  1  0.411446  0.228557  0.622550  1
