# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.77431898
_cell_length_b   14.77431898
_cell_length_c   54.85451200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al12
_chemical_formula_sum   'Mg136 Al96'
_cell_volume   10369.5027318
_cell_formula_units_Z   8
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  0.147944  0.149337  0.285668  1
  Mg  Mg2  1  0.366291  0.367684  0.319729  1
  Mg  Mg3  1  0.711250  0.367684  0.319729  1
  Mg  Mg4  1  0.699719  0.045787  0.373754  1
  Mg  Mg5  1  0.814611  0.816004  0.286066  1
  Mg  Mg6  1  0.948006  0.949398  0.298836  1
  Mg  Mg7  1  0.110314  0.825541  0.341833  1
  Mg  Mg8  1  0.824148  0.111706  0.341833  1
  Mg  Mg9  1  0.706944  0.031337  0.308766  1
  Mg  Mg10  1  0.773711  0.183425  0.285314  1
  Mg  Mg11  1  0.509371  0.111706  0.341833  1
  Mg  Mg12  1  0.029944  0.708337  0.308766  1
  Mg  Mg13  1  0.547822  0.949398  0.298836  1
  Mg  Mg14  1  0.948006  0.549214  0.298836  1
  Mg  Mg15  1  0.824148  0.510764  0.341833  1
  Mg  Mg16  1  0.509371  0.825541  0.341833  1
  Mg  Mg17  1  0.706944  0.708337  0.308766  1
  Mg  Mg18  1  0.481278  0.482670  0.337739  1
  Mg  Mg19  1  0.699719  0.701112  0.373754  1
  Mg  Mg20  1  0.044394  0.701112  0.373754  1
  Mg  Mg21  1  0.366291  0.712643  0.319729  1
  Mg  Mg22  1  0.147944  0.149337  0.341313  1
  Mg  Mg23  1  0.279821  0.281213  0.356861  1
  Mg  Mg24  1  0.773711  0.489482  0.285314  1
  Mg  Mg25  1  0.488090  0.775103  0.285314  1
  Mg  Mg26  1  0.042276  0.360673  0.364019  1
  Mg  Mg27  1  0.110314  0.510764  0.341833  1
  Mg  Mg28  1  0.182032  0.775103  0.285314  1
  Mg  Mg29  1  0.359281  0.043669  0.364019  1
  Mg  Mg30  1  0.884192  0.281213  0.356861  1
  Mg  Mg31  1  0.279821  0.885584  0.356861  1
  Mg  Mg32  1  0.488090  0.183425  0.285314  1
  Mg  Mg33  1  0.182032  0.489482  0.285314  1
  Mg  Mg34  1  0.042276  0.043669  0.364019  1
  Mg  Mg35  1  0.814611  0.816004  0.392701  1
  Mg  Mg36  1  0.032923  0.034316  0.429598  1
  Mg  Mg37  1  0.377986  0.034316  0.429598  1
  Mg  Mg38  1  0.366191  0.712844  0.485157  1
  Mg  Mg39  1  0.481278  0.482670  0.395308  1
  Mg  Mg40  1  0.614313  0.615706  0.412366  1
  Mg  Mg41  1  0.778050  0.492196  0.453208  1
  Mg  Mg42  1  0.490803  0.779442  0.453208  1
  Mg  Mg43  1  0.375503  0.694219  0.420450  1
  Mg  Mg44  1  0.444280  0.844627  0.397500  1
  Mg  Mg45  1  0.174980  0.779442  0.453208  1
  Mg  Mg46  1  0.692827  0.376896  0.420450  1
  Mg  Mg47  1  0.215207  0.615706  0.412366  1
  Mg  Mg48  1  0.614313  0.216599  0.412366  1
  Mg  Mg49  1  0.490803  0.176373  0.453208  1
  Mg  Mg50  1  0.174980  0.492196  0.453208  1
  Mg  Mg51  1  0.375503  0.376896  0.420450  1
  Mg  Mg52  1  0.147944  0.149337  0.449048  1
  Mg  Mg53  1  0.366191  0.367584  0.485157  1
  Mg  Mg54  1  0.711451  0.367584  0.485157  1
  Mg  Mg55  1  0.032923  0.379379  0.429598  1
  Mg  Mg56  1  0.814611  0.816004  0.450472  1
  Mg  Mg57  1  0.946959  0.948352  0.467837  1
  Mg  Mg58  1  0.444280  0.157711  0.397500  1
  Mg  Mg59  1  0.156319  0.445672  0.397500  1
  Mg  Mg60  1  0.709246  0.026734  0.476001  1
  Mg  Mg61  1  0.778050  0.176373  0.453208  1
  Mg  Mg62  1  0.843234  0.445672  0.397500  1
  Mg  Mg63  1  0.025341  0.710638  0.476001  1
  Mg  Mg64  1  0.549914  0.948352  0.467837  1
  Mg  Mg65  1  0.946959  0.551307  0.467837  1
  Mg  Mg66  1  0.156319  0.844627  0.397500  1
  Mg  Mg67  1  0.843234  0.157711  0.397500  1
  Mg  Mg68  1  0.709246  0.710638  0.476001  1
  Mg  Mg69  1  0.481278  0.482670  0.504473  1
  Mg  Mg70  1  0.699346  0.700739  0.540970  1
  Mg  Mg71  1  0.045140  0.700739  0.540970  1
  Mg  Mg72  1  0.032862  0.379502  0.596320  1
  Mg  Mg73  1  0.147944  0.149337  0.506347  1
  Mg  Mg74  1  0.280543  0.281936  0.523436  1
  Mg  Mg75  1  0.444476  0.159039  0.564434  1
  Mg  Mg76  1  0.157646  0.445869  0.564434  1
  Mg  Mg77  1  0.042285  0.360655  0.531617  1
  Mg  Mg78  1  0.110862  0.510371  0.508796  1
  Mg  Mg79  1  0.841711  0.445869  0.564434  1
  Mg  Mg80  1  0.359262  0.043678  0.531617  1
  Mg  Mg81  1  0.882747  0.281936  0.523436  1
  Mg  Mg82  1  0.280543  0.884139  0.523436  1
  Mg  Mg83  1  0.157646  0.843103  0.564434  1
  Mg  Mg84  1  0.841711  0.159039  0.564434  1
  Mg  Mg85  1  0.042285  0.043678  0.531617  1
  Mg  Mg86  1  0.814611  0.816004  0.560196  1
  Mg  Mg87  1  0.032862  0.034255  0.596320  1
  Mg  Mg88  1  0.378109  0.034255  0.596320  1
  Mg  Mg89  1  0.699346  0.046533  0.540970  1
  Mg  Mg90  1  0.481278  0.482670  0.561911  1
  Mg  Mg91  1  0.613188  0.614580  0.579245  1
  Mg  Mg92  1  0.110862  0.825385  0.508796  1
  Mg  Mg93  1  0.823993  0.112254  0.508796  1
  Mg  Mg94  1  0.376309  0.692607  0.587450  1
  Mg  Mg95  1  0.444476  0.843103  0.564434  1
  Mg  Mg96  1  0.508979  0.112254  0.508796  1
  Mg  Mg97  1  0.691214  0.377702  0.587450  1
  Mg  Mg98  1  0.217458  0.614580  0.579245  1
  Mg  Mg99  1  0.613188  0.218850  0.579245  1
  Mg  Mg100  1  0.823993  0.510371  0.508796  1
  Mg  Mg101  1  0.508979  0.825385  0.508796  1
  Mg  Mg102  1  0.376309  0.377702  0.587450  1
  Mg  Mg103  1  0.147944  0.149337  0.614475  1
  Mg  Mg104  1  0.365570  0.366962  0.652741  1
  Mg  Mg105  1  0.712694  0.366962  0.652741  1
  Mg  Mg106  1  0.698542  0.048141  0.706752  1
  Mg  Mg107  1  0.814611  0.816004  0.617699  1
  Mg  Mg108  1  0.947834  0.949226  0.634498  1
  Mg  Mg109  1  0.109811  0.828210  0.675518  1
  Mg  Mg110  1  0.826818  0.111204  0.675518  1
  Mg  Mg111  1  0.708355  0.028515  0.642970  1
  Mg  Mg112  1  0.776584  0.178012  0.620113  1
  Mg  Mg113  1  0.507204  0.111204  0.675518  1
  Mg  Mg114  1  0.027122  0.709748  0.642970  1
  Mg  Mg115  1  0.548165  0.949226  0.634498  1
  Mg  Mg116  1  0.947834  0.549558  0.634498  1
  Mg  Mg117  1  0.826818  0.508596  0.675518  1
  Mg  Mg118  1  0.507204  0.828210  0.675518  1
  Mg  Mg119  1  0.708355  0.709748  0.642970  1
  Mg  Mg120  1  0.481278  0.482670  0.673805  1
  Mg  Mg121  1  0.698542  0.699935  0.706752  1
  Mg  Mg122  1  0.046748  0.699935  0.706752  1
  Mg  Mg123  1  0.365570  0.714086  0.652741  1
  Mg  Mg124  1  0.147944  0.149337  0.670930  1
  Mg  Mg125  1  0.279521  0.280913  0.691912  1
  Mg  Mg126  1  0.776584  0.492022  0.620113  1
  Mg  Mg127  1  0.490629  0.777977  0.620113  1
  Mg  Mg128  1  0.045769  0.353687  0.699062  1
  Mg  Mg129  1  0.109811  0.508596  0.675518  1
  Mg  Mg130  1  0.176619  0.777977  0.620113  1
  Mg  Mg131  1  0.352295  0.047162  0.699062  1
  Mg  Mg132  1  0.884792  0.280913  0.691912  1
  Mg  Mg133  1  0.279521  0.886184  0.691912  1
  Mg  Mg134  1  0.490629  0.178012  0.620113  1
  Mg  Mg135  1  0.176619  0.492022  0.620113  1
  Mg  Mg136  1  0.045769  0.047162  0.699062  1
  Al  Al137  1  0.603217  0.604610  0.328435  1
  Al  Al138  1  0.963103  0.148346  0.313156  1
  Al  Al139  1  0.146953  0.964496  0.313156  1
  Al  Al140  1  0.878123  0.688979  0.340928  1
  Al  Al141  1  0.963103  0.335169  0.313156  1
  Al  Al142  1  0.333776  0.964496  0.313156  1
  Al  Al143  1  0.687586  0.879516  0.340928  1
  Al  Al144  1  0.237398  0.604610  0.328435  1
  Al  Al145  1  0.603217  0.238791  0.328435  1
  Al  Al146  1  0.478317  0.669632  0.369078  1
  Al  Al147  1  0.333776  0.148346  0.313156  1
  Al  Al148  1  0.878123  0.879516  0.340928  1
  Al  Al149  1  0.936737  0.938129  0.381651  1
  Al  Al150  1  0.297276  0.479710  0.369078  1
  Al  Al151  1  0.478317  0.298669  0.369078  1
  Al  Al152  1  0.543476  0.358274  0.288301  1
  Al  Al153  1  0.297276  0.669632  0.369078  1
  Al  Al154  1  0.668239  0.298669  0.369078  1
  Al  Al155  1  0.356881  0.544868  0.288301  1
  Al  Al156  1  0.570360  0.938129  0.381651  1
  Al  Al157  1  0.936737  0.571752  0.381651  1
  Al  Al158  1  0.146953  0.335169  0.313156  1
  Al  Al159  1  0.668239  0.479710  0.369078  1
  Al  Al160  1  0.543476  0.544868  0.288301  1
  Al  Al161  1  0.270267  0.271660  0.437665  1
  Al  Al162  1  0.630974  0.813899  0.424025  1
  Al  Al163  1  0.812507  0.632366  0.424025  1
  Al  Al164  1  0.544263  0.356699  0.452953  1
  Al  Al165  1  0.630974  1.001745  0.424025  1
  Al  Al166  1  1.000353  0.632366  0.424025  1
  Al  Al167  1  0.355306  0.545656  0.452953  1
  Al  Al168  1  0.903298  0.271660  0.437665  1
  Al  Al169  1  0.270267  0.904691  0.437665  1
  Al  Al170  1  0.145640  0.335309  0.479780  1
  Al  Al171  1  1.000353  0.813899  0.424025  1
  Al  Al172  1  0.544263  0.545656  0.452953  1
  Al  Al173  1  0.603721  0.605113  0.493247  1
  Al  Al174  1  0.964277  0.147032  0.479780  1
  Al  Al175  1  0.145640  0.965670  0.479780  1
  Al  Al176  1  0.210753  0.023719  0.397364  1
  Al  Al177  1  0.964277  0.335309  0.479780  1
  Al  Al178  1  0.333916  0.965670  0.479780  1
  Al  Al179  1  0.022326  0.212146  0.397364  1
  Al  Al180  1  0.236391  0.605113  0.493247  1
  Al  Al181  1  0.603721  0.237784  0.493247  1
  Al  Al182  1  0.812507  1.001745  0.424025  1
  Al  Al183  1  0.333916  0.147032  0.479780  1
  Al  Al184  1  0.210753  0.212146  0.397364  1
  Al  Al185  1  0.936988  0.938381  0.549046  1
  Al  Al186  1  0.297619  0.480412  0.535342  1
  Al  Al187  1  0.479019  0.299012  0.535342  1
  Al  Al188  1  0.210939  0.023348  0.564094  1
  Al  Al189  1  0.297619  0.668587  0.535342  1
  Al  Al190  1  0.667194  0.299012  0.535342  1
  Al  Al191  1  0.021955  0.212331  0.564094  1
  Al  Al192  1  0.569857  0.938381  0.549046  1
  Al  Al193  1  0.936988  0.571249  0.549046  1
  Al  Al194  1  0.812120  1.002282  0.591119  1
  Al  Al195  1  0.667194  0.480412  0.535342  1
  Al  Al196  1  0.210939  0.212331  0.564094  1
  Al  Al197  1  0.270719  0.272111  0.604257  1
  Al  Al198  1  0.630823  0.813513  0.591119  1
  Al  Al199  1  0.812120  0.632216  0.591119  1
  Al  Al200  1  0.877563  0.690098  0.508745  1
  Al  Al201  1  0.630823  1.002282  0.591119  1
  Al  Al202  1  1.000890  0.632216  0.591119  1
  Al  Al203  1  0.688706  0.878956  0.508745  1
  Al  Al204  1  0.902395  0.272111  0.604257  1
  Al  Al205  1  0.270719  0.903788  0.604257  1
  Al  Al206  1  0.479019  0.668587  0.535342  1
  Al  Al207  1  1.000890  0.813513  0.591119  1
  Al  Al208  1  0.877563  0.878956  0.508745  1
  Al  Al209  1  0.604083  0.605475  0.659966  1
  Al  Al210  1  0.964019  0.147720  0.646167  1
  Al  Al211  1  0.146328  0.965411  0.646167  1
  Al  Al212  1  0.876929  0.691367  0.674033  1
  Al  Al213  1  0.964019  0.334879  0.646167  1
  Al  Al214  1  0.333486  0.965411  0.646167  1
  Al  Al215  1  0.689974  0.878322  0.674033  1
  Al  Al216  1  0.235668  0.605475  0.659966  1
  Al  Al217  1  0.604083  0.237060  0.659966  1
  Al  Al218  1  0.480212  0.671187  0.701211  1
  Al  Al219  1  0.333486  0.147720  0.646167  1
  Al  Al220  1  0.876929  0.878322  0.674033  1
  Al  Al221  1  0.937333  0.938726  0.713790  1
  Al  Al222  1  0.293827  0.481605  0.701211  1
  Al  Al223  1  0.480212  0.295219  0.701211  1
  Al  Al224  1  0.543743  0.357739  0.620489  1
  Al  Al225  1  0.293827  0.671187  0.701211  1
  Al  Al226  1  0.669794  0.295219  0.701211  1
  Al  Al227  1  0.356347  0.545136  0.620489  1
  Al  Al228  1  0.569167  0.938726  0.713790  1
  Al  Al229  1  0.937333  0.570559  0.713790  1
  Al  Al230  1  0.146328  0.334879  0.646167  1
  Al  Al231  1  0.669794  0.481605  0.701211  1
  Al  Al232  1  0.543743  0.545136  0.620489  1
