# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.86529610
_cell_length_b   14.86529610
_cell_length_c   54.58378887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg17Al12
_chemical_formula_sum   'Mg136 Al96'
_cell_volume   10445.7935603
_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  0.364069  0.182368  0.281616  1
  Mg  Mg2  1  0.245659  0.300778  0.297870  1
  Mg  Mg3  1  0.912794  0.279817  0.348331  1
  Mg  Mg4  1  0.697403  0.849035  0.328854  1
  Mg  Mg5  1  0.600890  0.300778  0.297870  1
  Mg  Mg6  1  0.376339  0.492681  0.325183  1
  Mg  Mg7  1  0.830147  0.114523  0.308418  1
  Mg  Mg8  1  0.591929  0.638088  0.304161  1
  Mg  Mg9  1  0.431914  0.716290  0.308418  1
  Mg  Mg10  1  0.725438  0.220722  0.380479  1
  Mg  Mg11  1  0.591929  0.954508  0.304161  1
  Mg  Mg12  1  0.325715  0.505383  0.380479  1
  Mg  Mg13  1  0.041055  0.220722  0.380479  1
  Mg  Mg14  1  0.908349  0.954508  0.304161  1
  Mg  Mg15  1  0.725438  0.505383  0.380479  1
  Mg  Mg16  1  0.830147  0.716290  0.308418  1
  Mg  Mg17  1  0.662113  0.492681  0.325183  1
  Mg  Mg18  1  0.030736  0.515701  0.328985  1
  Mg  Mg19  1  0.912794  0.633644  0.348331  1
  Mg  Mg20  1  0.245659  0.945547  0.297870  1
  Mg  Mg21  1  0.364069  0.182368  0.381191  1
  Mg  Mg22  1  0.266620  0.633644  0.348331  1
  Mg  Mg23  1  0.041055  0.820999  0.380479  1
  Mg  Mg24  1  0.499139  0.452507  0.364574  1
  Mg  Mg25  1  0.256243  0.966715  0.358234  1
  Mg  Mg26  1  0.093931  0.047299  0.364574  1
  Mg  Mg27  1  0.053756  0.884325  0.325183  1
  Mg  Mg28  1  0.256243  0.290195  0.358234  1
  Mg  Mg29  1  0.662113  0.170098  0.325183  1
  Mg  Mg30  1  0.376339  0.884325  0.325183  1
  Mg  Mg31  1  0.579723  0.290195  0.358234  1
  Mg  Mg32  1  0.053756  0.170098  0.325183  1
  Mg  Mg33  1  0.499139  0.047299  0.364574  1
  Mg  Mg34  1  0.325715  0.820999  0.380479  1
  Mg  Mg35  1  0.697403  0.849035  0.385636  1
  Mg  Mg36  1  0.580886  0.965552  0.404417  1
  Mg  Mg37  1  0.247536  0.949300  0.460123  1
  Mg  Mg38  1  0.030736  0.515701  0.438233  1
  Mg  Mg39  1  0.930437  0.965552  0.404417  1
  Mg  Mg40  1  0.708807  0.155164  0.436310  1
  Mg  Mg41  1  0.163675  0.781578  0.421143  1
  Mg  Mg42  1  0.925167  0.304564  0.413781  1
  Mg  Mg43  1  0.764859  0.382763  0.421143  1
  Mg  Mg44  1  0.058293  0.888105  0.492139  1
  Mg  Mg45  1  0.925167  0.621270  0.413781  1
  Mg  Mg46  1  0.658333  0.170855  0.492139  1
  Mg  Mg47  1  0.375582  0.888105  0.492139  1
  Mg  Mg48  1  0.241874  0.621270  0.413781  1
  Mg  Mg49  1  0.058293  0.170855  0.492139  1
  Mg  Mg50  1  0.163675  0.382763  0.421143  1
  Mg  Mg51  1  0.992128  0.155164  0.436310  1
  Mg  Mg52  1  0.364069  0.182368  0.440601  1
  Mg  Mg53  1  0.247536  0.298902  0.460123  1
  Mg  Mg54  1  0.580886  0.616000  0.404417  1
  Mg  Mg55  1  0.697403  0.849035  0.494145  1
  Mg  Mg56  1  0.597137  0.298902  0.460123  1
  Mg  Mg57  1  0.375582  0.488145  0.492139  1
  Mg  Mg58  1  0.830491  0.115211  0.477146  1
  Mg  Mg59  1  0.591497  0.637222  0.469649  1
  Mg  Mg60  1  0.431226  0.715946  0.477146  1
  Mg  Mg61  1  0.391273  0.554309  0.436310  1
  Mg  Mg62  1  0.591497  0.954941  0.469649  1
  Mg  Mg63  1  0.992128  0.837631  0.436310  1
  Mg  Mg64  1  0.708807  0.554309  0.436310  1
  Mg  Mg65  1  0.909215  0.954941  0.469649  1
  Mg  Mg66  1  0.391273  0.837631  0.436310  1
  Mg  Mg67  1  0.830491  0.715946  0.477146  1
  Mg  Mg68  1  0.658333  0.488145  0.492139  1
  Mg  Mg69  1  0.030736  0.515701  0.496688  1
  Mg  Mg70  1  0.914189  0.632249  0.516196  1
  Mg  Mg71  1  0.580991  0.616212  0.572060  1
  Mg  Mg72  1  0.364069  0.182368  0.550093  1
  Mg  Mg73  1  0.263831  0.632249  0.516196  1
  Mg  Mg74  1  0.042054  0.822010  0.548007  1
  Mg  Mg75  1  0.496987  0.448203  0.533035  1
  Mg  Mg76  1  0.258423  0.971075  0.525480  1
  Mg  Mg77  1  0.098235  0.049451  0.533035  1
  Mg  Mg78  1  0.392086  0.555400  0.603965  1
  Mg  Mg79  1  0.258423  0.288015  0.525480  1
  Mg  Mg80  1  0.991037  0.837353  0.603965  1
  Mg  Mg81  1  0.709084  0.555400  0.603965  1
  Mg  Mg82  1  0.575362  0.288015  0.525480  1
  Mg  Mg83  1  0.392086  0.837353  0.603965  1
  Mg  Mg84  1  0.496987  0.049451  0.533035  1
  Mg  Mg85  1  0.325727  0.822010  0.548007  1
  Mg  Mg86  1  0.697403  0.849035  0.552660  1
  Mg  Mg87  1  0.580991  0.965446  0.572060  1
  Mg  Mg88  1  0.914189  0.282607  0.516196  1
  Mg  Mg89  1  0.030736  0.515701  0.605248  1
  Mg  Mg90  1  0.930225  0.965446  0.572060  1
  Mg  Mg91  1  0.709084  0.154351  0.603965  1
  Mg  Mg92  1  0.164183  0.782596  0.588645  1
  Mg  Mg93  1  0.924817  0.303864  0.581077  1
  Mg  Mg94  1  0.763842  0.382254  0.588645  1
  Mg  Mg95  1  0.724428  0.220711  0.548007  1
  Mg  Mg96  1  0.924817  0.621620  0.581077  1
  Mg  Mg97  1  0.325727  0.504384  0.548007  1
  Mg  Mg98  1  0.042054  0.220711  0.548007  1
  Mg  Mg99  1  0.242573  0.621620  0.581077  1
  Mg  Mg100  1  0.724428  0.504384  0.548007  1
  Mg  Mg101  1  0.164183  0.382254  0.588645  1
  Mg  Mg102  1  0.991037  0.154351  0.603965  1
  Mg  Mg103  1  0.364069  0.182368  0.608885  1
  Mg  Mg104  1  0.247459  0.298979  0.628403  1
  Mg  Mg105  1  0.914341  0.282911  0.682449  1
  Mg  Mg106  1  0.697403  0.849035  0.662538  1
  Mg  Mg107  1  0.597291  0.298979  0.628403  1
  Mg  Mg108  1  0.375956  0.488933  0.660032  1
  Mg  Mg109  1  0.829694  0.113617  0.645041  1
  Mg  Mg110  1  0.591847  0.637923  0.638009  1
  Mg  Mg111  1  0.432821  0.716744  0.645041  1
  Mg  Mg112  1  0.727600  0.234018  0.714677  1
  Mg  Mg113  1  0.591847  0.954591  0.638009  1
  Mg  Mg114  1  0.312420  0.494249  0.714677  1
  Mg  Mg115  1  0.052189  0.234018  0.714677  1
  Mg  Mg116  1  0.908514  0.954591  0.638009  1
  Mg  Mg117  1  0.727600  0.494249  0.714677  1
  Mg  Mg118  1  0.829694  0.716744  0.645041  1
  Mg  Mg119  1  0.658748  0.488933  0.660032  1
  Mg  Mg120  1  0.030736  0.515701  0.663499  1
  Mg  Mg121  1  0.914341  0.632097  0.682449  1
  Mg  Mg122  1  0.247459  0.949147  0.628403  1
  Mg  Mg123  1  0.364069  0.182368  0.706908  1
  Mg  Mg124  1  0.263527  0.632097  0.682449  1
  Mg  Mg125  1  0.052189  0.818838  0.714677  1
  Mg  Mg126  1  0.498815  0.451860  0.701116  1
  Mg  Mg127  1  0.256934  0.968098  0.690318  1
  Mg  Mg128  1  0.094578  0.047622  0.701116  1
  Mg  Mg129  1  0.057504  0.887689  0.660032  1
  Mg  Mg130  1  0.256934  0.289503  0.690318  1
  Mg  Mg131  1  0.658748  0.170482  0.660032  1
  Mg  Mg132  1  0.375956  0.887689  0.660032  1
  Mg  Mg133  1  0.578340  0.289503  0.690318  1
  Mg  Mg134  1  0.057504  0.170482  0.660032  1
  Mg  Mg135  1  0.498815  0.047622  0.701116  1
  Mg  Mg136  1  0.312420  0.818838  0.714677  1
  Al  Al137  1  0.697325  0.667316  0.354450  1
  Al  Al138  1  0.481814  0.417857  0.290112  1
  Al  Al139  1  0.092115  0.638459  0.379453  1
  Al  Al140  1  0.128580  0.064623  0.290112  1
  Al  Al141  1  0.214894  0.699078  0.299980  1
  Al  Al142  1  0.092115  0.454323  0.379453  1
  Al  Al143  1  0.847359  0.516483  0.299980  1
  Al  Al144  1  0.029954  0.699078  0.299980  1
  Al  Al145  1  0.907979  0.454323  0.379453  1
  Al  Al146  1  0.214894  0.516483  0.299980  1
  Al  Al147  1  0.481814  0.064623  0.290112  1
  Al  Al148  1  0.515762  0.667316  0.354450  1
  Al  Al149  1  0.029954  0.331543  0.299980  1
  Al  Al150  1  0.152100  0.758430  0.339518  1
  Al  Al151  1  0.424772  0.303774  0.327209  1
  Al  Al152  1  0.788007  0.394337  0.339518  1
  Al  Al153  1  0.879122  0.030676  0.354450  1
  Al  Al154  1  0.424772  0.121665  0.327209  1
  Al  Al155  1  0.515762  0.849112  0.354450  1
  Al  Al156  1  0.697325  0.030676  0.354450  1
  Al  Al157  1  0.242663  0.121665  0.327209  1
  Al  Al158  1  0.879122  0.849112  0.354450  1
  Al  Al159  1  0.152100  0.394337  0.339518  1
  Al  Al160  1  0.847359  0.331543  0.299980  1
  Al  Al161  1  0.029487  0.332888  0.466107  1
  Al  Al162  1  0.818669  0.091567  0.395732  1
  Al  Al163  1  0.425463  0.305156  0.491407  1
  Al  Al164  1  0.454870  0.727769  0.395732  1
  Al  Al165  1  0.546662  0.364035  0.409963  1
  Al  Al166  1  0.425463  0.120974  0.491407  1
  Al  Al167  1  0.182402  0.183293  0.409963  1
  Al  Al168  1  0.363145  0.364035  0.409963  1
  Al  Al169  1  0.241282  0.120974  0.491407  1
  Al  Al170  1  0.546662  0.183293  0.409963  1
  Al  Al171  1  0.818669  0.727769  0.395732  1
  Al  Al172  1  0.849172  0.332888  0.466107  1
  Al  Al173  1  0.363145  0.999776  0.409963  1
  Al  Al174  1  0.485320  0.424870  0.451139  1
  Al  Al175  1  0.758828  0.971886  0.435924  1
  Al  Al176  1  0.121568  0.061117  0.451139  1
  Al  Al177  1  0.213550  0.697266  0.466107  1
  Al  Al178  1  0.758828  0.787609  0.435924  1
  Al  Al179  1  0.849172  0.516951  0.466107  1
  Al  Al180  1  0.029487  0.697266  0.466107  1
  Al  Al181  1  0.574552  0.787609  0.435924  1
  Al  Al182  1  0.213550  0.516951  0.466107  1
  Al  Al183  1  0.485320  0.061117  0.451139  1
  Al  Al184  1  0.182402  0.999776  0.409963  1
  Al  Al185  1  0.362808  0.999612  0.577968  1
  Al  Al186  1  0.152201  0.758631  0.507169  1
  Al  Al187  1  0.758668  0.971565  0.603580  1
  Al  Al188  1  0.787806  0.394237  0.507169  1
  Al  Al189  1  0.880210  0.030536  0.521976  1
  Al  Al190  1  0.758668  0.787770  0.603580  1
  Al  Al191  1  0.515902  0.850341  0.521976  1
  Al  Al192  1  0.696096  0.030536  0.521976  1
  Al  Al193  1  0.574873  0.787770  0.603580  1
  Al  Al194  1  0.880210  0.850341  0.521976  1
  Al  Al195  1  0.152201  0.394237  0.507169  1
  Al  Al196  1  0.182575  0.999612  0.577968  1
  Al  Al197  1  0.696096  0.666227  0.521976  1
  Al  Al198  1  0.818482  0.091193  0.563125  1
  Al  Al199  1  0.092201  0.638632  0.547338  1
  Al  Al200  1  0.455244  0.727956  0.563125  1
  Al  Al201  1  0.546825  0.363863  0.577968  1
  Al  Al202  1  0.092201  0.454236  0.547338  1
  Al  Al203  1  0.182575  0.183629  0.577968  1
  Al  Al204  1  0.362808  0.363863  0.577968  1
  Al  Al205  1  0.907805  0.454236  0.547338  1
  Al  Al206  1  0.546825  0.183629  0.577968  1
  Al  Al207  1  0.818482  0.727956  0.563125  1
  Al  Al208  1  0.515902  0.666227  0.521976  1
  Al  Al209  1  0.696971  0.664056  0.689121  1
  Al  Al210  1  0.486075  0.426379  0.618894  1
  Al  Al211  1  0.091250  0.636730  0.712674  1
  Al  Al212  1  0.120058  0.060363  0.618894  1
  Al  Al213  1  0.214204  0.697496  0.633154  1
  Al  Al214  1  0.091250  0.455187  0.712674  1
  Al  Al215  1  0.848941  0.517375  0.633154  1
  Al  Al216  1  0.029063  0.697496  0.633154  1
  Al  Al217  1  0.909707  0.455187  0.712674  1
  Al  Al218  1  0.214204  0.517375  0.633154  1
  Al  Al219  1  0.486075  0.060363  0.618894  1
  Al  Al220  1  0.512856  0.664056  0.689121  1
  Al  Al221  1  0.029063  0.332234  0.633154  1
  Al  Al222  1  0.151454  0.757137  0.673692  1
  Al  Al223  1  0.426383  0.306995  0.658923  1
  Al  Al224  1  0.789301  0.394984  0.673692  1
  Al  Al225  1  0.882381  0.033582  0.689121  1
  Al  Al226  1  0.426383  0.120055  0.658923  1
  Al  Al227  1  0.512856  0.849466  0.689121  1
  Al  Al228  1  0.696971  0.033582  0.689121  1
  Al  Al229  1  0.239442  0.120055  0.658923  1
  Al  Al230  1  0.882381  0.849466  0.689121  1
  Al  Al231  1  0.151454  0.394984  0.673692  1
  Al  Al232  1  0.848941  0.332234  0.633154  1
