# generated using pymatgen
data_Mg17Al12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50376408
_cell_length_b   14.92436130
_cell_length_c   51.72259617
_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   8108.13607784
_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  0.010690  0.958766  0.306924  1
  Mg  Mg2  1  0.829737  0.139953  0.305235  1
  Mg  Mg3  1  0.679226  0.956912  0.394070  1
  Mg  Mg4  1  0.185952  0.954663  0.354135  1
  Mg  Mg5  1  0.828806  0.282389  0.444758  1
  Mg  Mg6  1  0.547902  0.090706  0.300612  1
  Mg  Mg7  1  0.963762  0.955635  0.404165  1
  Mg  Mg8  1  0.465369  0.955469  0.341181  1
  Mg  Mg9  1  0.364267  0.159617  0.344530  1
  Mg  Mg10  1  0.647814  0.113441  0.357506  1
  Mg  Mg11  1  0.144650  0.117210  0.386979  1
  Mg  Mg12  1  0.361300  0.655176  0.399589  1
  Mg  Mg13  1  0.647328  0.799161  0.358431  1
  Mg  Mg14  1  0.144591  0.794734  0.387364  1
  Mg  Mg15  1  0.362018  0.256037  0.398988  1
  Mg  Mg16  1  0.367215  0.757345  0.348470  1
  Mg  Mg17  1  0.546203  0.808952  0.302006  1
  Mg  Mg18  1  0.510690  0.458766  0.306924  1
  Mg  Mg19  1  0.329737  0.639953  0.305235  1
  Mg  Mg20  1  0.179226  0.456912  0.394070  1
  Mg  Mg21  1  0.685952  0.454663  0.354135  1
  Mg  Mg22  1  0.328806  0.782389  0.444758  1
  Mg  Mg23  1  0.047902  0.590706  0.300612  1
  Mg  Mg24  1  0.463762  0.455635  0.404165  1
  Mg  Mg25  1  0.965369  0.455469  0.341181  1
  Mg  Mg26  1  0.864267  0.659617  0.344530  1
  Mg  Mg27  1  0.147814  0.613441  0.357506  1
  Mg  Mg28  1  0.644650  0.617210  0.386979  1
  Mg  Mg29  1  0.861300  0.155176  0.399589  1
  Mg  Mg30  1  0.147328  0.299161  0.358431  1
  Mg  Mg31  1  0.644591  0.294734  0.387364  1
  Mg  Mg32  1  0.862018  0.756037  0.398988  1
  Mg  Mg33  1  0.867215  0.257345  0.348470  1
  Mg  Mg34  1  0.046203  0.308952  0.302006  1
  Mg  Mg35  1  0.003820  0.456824  0.444649  1
  Mg  Mg36  1  0.829201  0.630990  0.444744  1
  Mg  Mg37  1  0.678523  0.456480  0.538665  1
  Mg  Mg38  1  0.178163  0.456231  0.495129  1
  Mg  Mg39  1  0.828825  0.781155  0.588862  1
  Mg  Mg40  1  0.545016  0.598197  0.444768  1
  Mg  Mg41  1  0.962941  0.456368  0.548141  1
  Mg  Mg42  1  0.462869  0.456369  0.485596  1
  Mg  Mg43  1  0.362060  0.656088  0.490459  1
  Mg  Mg44  1  0.645334  0.615048  0.502318  1
  Mg  Mg45  1  0.145308  0.615267  0.531280  1
  Mg  Mg46  1  0.361862  0.155957  0.543083  1
  Mg  Mg47  1  0.645431  0.297868  0.502317  1
  Mg  Mg48  1  0.145208  0.297469  0.531323  1
  Mg  Mg49  1  0.361948  0.756735  0.543118  1
  Mg  Mg50  1  0.361930  0.256772  0.490500  1
  Mg  Mg51  1  0.544494  0.314154  0.444799  1
  Mg  Mg52  1  0.503820  0.956824  0.444649  1
  Mg  Mg53  1  0.329201  0.130990  0.444744  1
  Mg  Mg54  1  0.178523  0.956480  0.538665  1
  Mg  Mg55  1  0.678163  0.956231  0.495129  1
  Mg  Mg56  1  0.328825  0.281155  0.588862  1
  Mg  Mg57  1  0.045016  0.098197  0.444768  1
  Mg  Mg58  1  0.462941  0.956368  0.548141  1
  Mg  Mg59  1  0.962869  0.956369  0.485596  1
  Mg  Mg60  1  0.862060  0.156088  0.490459  1
  Mg  Mg61  1  0.145334  0.115048  0.502318  1
  Mg  Mg62  1  0.645308  0.115267  0.531280  1
  Mg  Mg63  1  0.861862  0.655957  0.543083  1
  Mg  Mg64  1  0.145431  0.797868  0.502317  1
  Mg  Mg65  1  0.645208  0.797469  0.531323  1
  Mg  Mg66  1  0.861948  0.256735  0.543118  1
  Mg  Mg67  1  0.861930  0.756772  0.490500  1
  Mg  Mg68  1  0.044494  0.814154  0.444799  1
  Mg  Mg69  1  0.003237  0.956146  0.589187  1
  Mg  Mg70  1  0.829139  0.131719  0.589100  1
  Mg  Mg71  1  0.667568  0.955961  0.679191  1
  Mg  Mg72  1  0.179791  0.956546  0.640538  1
  Mg  Mg73  1  0.773497  0.286770  0.725397  1
  Mg  Mg74  1  0.544066  0.099782  0.588684  1
  Mg  Mg75  1  0.957440  0.953778  0.690575  1
  Mg  Mg76  1  0.462090  0.957211  0.628570  1
  Mg  Mg77  1  0.364261  0.160409  0.635684  1
  Mg  Mg78  1  0.644847  0.115171  0.645463  1
  Mg  Mg79  1  0.132501  0.118057  0.673786  1
  Mg  Mg80  1  0.349803  0.649323  0.687380  1
  Mg  Mg81  1  0.645197  0.797896  0.645424  1
  Mg  Mg82  1  0.130266  0.795175  0.673388  1
  Mg  Mg83  1  0.346572  0.256542  0.689352  1
  Mg  Mg84  1  0.365609  0.752885  0.636013  1
  Mg  Mg85  1  0.543851  0.813204  0.588797  1
  Mg  Mg86  1  0.503237  0.456146  0.589187  1
  Mg  Mg87  1  0.329139  0.631719  0.589100  1
  Mg  Mg88  1  0.167568  0.455961  0.679191  1
  Mg  Mg89  1  0.679791  0.456546  0.640538  1
  Mg  Mg90  1  0.273497  0.786770  0.725397  1
  Mg  Mg91  1  0.044066  0.599782  0.588684  1
  Mg  Mg92  1  0.457440  0.453778  0.690575  1
  Mg  Mg93  1  0.962090  0.457211  0.628570  1
  Mg  Mg94  1  0.864261  0.660409  0.635684  1
  Mg  Mg95  1  0.144847  0.615171  0.645463  1
  Mg  Mg96  1  0.632501  0.618057  0.673786  1
  Mg  Mg97  1  0.849803  0.149323  0.687380  1
  Mg  Mg98  1  0.145197  0.297896  0.645424  1
  Mg  Mg99  1  0.630266  0.295175  0.673388  1
  Mg  Mg100  1  0.846572  0.756542  0.689352  1
  Mg  Mg101  1  0.865609  0.252885  0.636013  1
  Mg  Mg102  1  0.043851  0.313204  0.588797  1
  Al  Al103  1  0.278567  0.861491  0.304371  1
  Al  Al104  1  0.732355  0.957414  0.326519  1
  Al  Al105  1  0.229618  0.956981  0.418639  1
  Al  Al106  1  0.093172  0.637417  0.418289  1
  Al  Al107  1  0.416910  0.364469  0.353821  1
  Al  Al108  1  0.413452  0.866252  0.392470  1
  Al  Al109  1  0.592844  0.635093  0.328862  1
  Al  Al110  1  0.413906  0.547586  0.354386  1
  Al  Al111  1  0.412898  0.050057  0.391331  1
  Al  Al112  1  0.600455  0.271915  0.327902  1
  Al  Al113  1  0.093088  0.274841  0.418094  1
  Al  Al114  1  0.273325  0.037304  0.304380  1
  Al  Al115  1  0.778567  0.361491  0.304371  1
  Al  Al116  1  0.232355  0.457414  0.326519  1
  Al  Al117  1  0.729618  0.456981  0.418639  1
  Al  Al118  1  0.593172  0.137417  0.418289  1
  Al  Al119  1  0.916910  0.864469  0.353821  1
  Al  Al120  1  0.913452  0.366252  0.392470  1
  Al  Al121  1  0.092844  0.135093  0.328862  1
  Al  Al122  1  0.913906  0.047586  0.354386  1
  Al  Al123  1  0.912898  0.550057  0.391331  1
  Al  Al124  1  0.100455  0.771915  0.327902  1
  Al  Al125  1  0.593088  0.774841  0.418094  1
  Al  Al126  1  0.773325  0.537304  0.304380  1
  Al  Al127  1  0.277641  0.366212  0.444683  1
  Al  Al128  1  0.729626  0.456514  0.470649  1
  Al  Al129  1  0.229253  0.456463  0.562958  1
  Al  Al130  1  0.093832  0.137943  0.562423  1
  Al  Al131  1  0.413663  0.864573  0.497217  1
  Al  Al132  1  0.413485  0.364565  0.536431  1
  Al  Al133  1  0.593701  0.138367  0.471316  1
  Al  Al134  1  0.413580  0.048279  0.497262  1
  Al  Al135  1  0.413538  0.548347  0.536482  1
  Al  Al136  1  0.593639  0.774422  0.471200  1
  Al  Al137  1  0.093940  0.774876  0.562307  1
  Al  Al138  1  0.277644  0.545803  0.444871  1
  Al  Al139  1  0.777641  0.866212  0.444683  1
  Al  Al140  1  0.229626  0.956514  0.470649  1
  Al  Al141  1  0.729253  0.956463  0.562958  1
  Al  Al142  1  0.593832  0.637943  0.562423  1
  Al  Al143  1  0.913663  0.364573  0.497217  1
  Al  Al144  1  0.913485  0.864565  0.536431  1
  Al  Al145  1  0.093701  0.638367  0.471316  1
  Al  Al146  1  0.913580  0.548279  0.497262  1
  Al  Al147  1  0.913538  0.048347  0.536482  1
  Al  Al148  1  0.093639  0.274422  0.471200  1
  Al  Al149  1  0.593940  0.274876  0.562307  1
  Al  Al150  1  0.777644  0.045803  0.444871  1
  Al  Al151  1  0.277910  0.866068  0.589135  1
  Al  Al152  1  0.728055  0.956213  0.614727  1
  Al  Al153  1  0.220931  0.958313  0.701742  1
  Al  Al154  1  0.082799  0.640693  0.701969  1
  Al  Al155  1  0.409371  0.363673  0.641438  1
  Al  Al156  1  0.396386  0.867467  0.677574  1
  Al  Al157  1  0.594171  0.637316  0.615425  1
  Al  Al158  1  0.410950  0.546658  0.641087  1
  Al  Al159  1  0.404533  0.049234  0.678237  1
  Al  Al160  1  0.594023  0.275403  0.615153  1
  Al  Al161  1  0.056921  0.277630  0.700302  1
  Al  Al162  1  0.277849  0.046847  0.589141  1
  Al  Al163  1  0.777910  0.366068  0.589135  1
  Al  Al164  1  0.228055  0.456213  0.614727  1
  Al  Al165  1  0.720931  0.458313  0.701742  1
  Al  Al166  1  0.582799  0.140693  0.701969  1
  Al  Al167  1  0.909371  0.863673  0.641438  1
  Al  Al168  1  0.896386  0.367467  0.677574  1
  Al  Al169  1  0.094171  0.137316  0.615425  1
  Al  Al170  1  0.910950  0.046658  0.641087  1
  Al  Al171  1  0.904533  0.549234  0.678237  1
  Al  Al172  1  0.094023  0.775403  0.615153  1
  Al  Al173  1  0.556921  0.777630  0.700302  1
  Al  Al174  1  0.777849  0.546847  0.589141  1
