# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47681637
_cell_length_b   31.33525170
_cell_length_c   45.94949124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.95248302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg324
_cell_volume   16483.5512146
_cell_formula_units_Z   324
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  0.273636  0.638761  0.279643  1
  Mg  Mg2  1  0.606969  0.305428  0.279643  1
  Mg  Mg3  1  0.542467  0.635663  0.294120  1
  Mg  Mg4  1  0.940303  0.972094  0.279643  1
  Mg  Mg5  1  0.875800  0.302330  0.294120  1
  Mg  Mg6  1  0.815115  0.634947  0.309784  1
  Mg  Mg7  1  0.209134  0.968997  0.294120  1
  Mg  Mg8  1  0.148448  0.301614  0.309784  1
  Mg  Mg9  1  0.481781  0.968280  0.309784  1
  Mg  Mg10  1  0.379558  0.887831  0.280298  1
  Mg  Mg11  1  0.712892  0.554498  0.280298  1
  Mg  Mg12  1  0.651549  0.886689  0.295379  1
  Mg  Mg13  1  0.046225  0.221165  0.280298  1
  Mg  Mg14  1  0.984882  0.553356  0.295379  1
  Mg  Mg15  1  0.923908  0.884139  0.310884  1
  Mg  Mg16  1  0.318215  0.220022  0.295379  1
  Mg  Mg17  1  0.257241  0.550805  0.310884  1
  Mg  Mg18  1  0.590575  0.217472  0.310884  1
  Mg  Mg19  1  0.241335  0.804485  0.286863  1
  Mg  Mg20  1  0.574668  0.471152  0.286863  1
  Mg  Mg21  1  0.512707  0.802599  0.301906  1
  Mg  Mg22  1  0.908001  0.137818  0.286863  1
  Mg  Mg23  1  0.846040  0.469266  0.301906  1
  Mg  Mg24  1  0.784246  0.800168  0.317970  1
  Mg  Mg25  1  0.179373  0.135933  0.301906  1
  Mg  Mg26  1  0.117579  0.466835  0.317970  1
  Mg  Mg27  1  0.450912  0.133501  0.317970  1
  Mg  Mg28  1  0.374500  0.718434  0.308874  1
  Mg  Mg29  1  0.707833  0.385101  0.308874  1
  Mg  Mg30  1  0.644168  0.716222  0.325185  1
  Mg  Mg31  1  0.041167  0.051767  0.308874  1
  Mg  Mg32  1  0.977501  0.382889  0.325185  1
  Mg  Mg33  1  0.105458  0.719966  0.293605  1
  Mg  Mg34  1  0.310834  0.049556  0.325185  1
  Mg  Mg35  1  0.438792  0.386632  0.293605  1
  Mg  Mg36  1  0.772125  0.053299  0.293605  1
  Mg  Mg37  1  0.083916  0.632642  0.327259  1
  Mg  Mg38  1  0.417249  0.299309  0.327259  1
  Mg  Mg39  1  0.353465  0.631250  0.344282  1
  Mg  Mg40  1  0.750583  0.965975  0.327259  1
  Mg  Mg41  1  0.686798  0.297917  0.344282  1
  Mg  Mg42  1  0.624187  0.629371  0.360159  1
  Mg  Mg43  1  0.020132  0.964583  0.344282  1
  Mg  Mg44  1  0.957520  0.296038  0.360159  1
  Mg  Mg45  1  0.290854  0.962705  0.360159  1
  Mg  Mg46  1  0.190045  0.883011  0.328610  1
  Mg  Mg47  1  0.523378  0.549678  0.328610  1
  Mg  Mg48  1  0.461029  0.881065  0.345094  1
  Mg  Mg49  1  0.856712  0.216345  0.328610  1
  Mg  Mg50  1  0.794363  0.547732  0.345094  1
  Mg  Mg51  1  0.731310  0.878826  0.361275  1
  Mg  Mg52  1  0.127696  0.214398  0.345094  1
  Mg  Mg53  1  0.064644  0.545492  0.361275  1
  Mg  Mg54  1  0.397977  0.212159  0.361275  1
  Mg  Mg55  1  0.052072  0.798548  0.335622  1
  Mg  Mg56  1  0.385405  0.465214  0.335622  1
  Mg  Mg57  1  0.322474  0.796980  0.352112  1
  Mg  Mg58  1  0.718738  0.131881  0.335622  1
  Mg  Mg59  1  0.655807  0.463647  0.352112  1
  Mg  Mg60  1  0.592559  0.794985  0.368342  1
  Mg  Mg61  1  0.989141  0.130314  0.352112  1
  Mg  Mg62  1  0.925893  0.461652  0.368342  1
  Mg  Mg63  1  0.259226  0.128319  0.368342  1
  Mg  Mg64  1  0.183853  0.712758  0.359182  1
  Mg  Mg65  1  0.517186  0.379425  0.359182  1
  Mg  Mg66  1  0.453753  0.711042  0.375701  1
  Mg  Mg67  1  0.850520  0.046092  0.359182  1
  Mg  Mg68  1  0.787086  0.377709  0.375701  1
  Mg  Mg69  1  0.913011  0.714417  0.342442  1
  Mg  Mg70  1  0.120420  0.044376  0.375701  1
  Mg  Mg71  1  0.246344  0.381084  0.342442  1
  Mg  Mg72  1  0.579677  0.047751  0.342442  1
  Mg  Mg73  1  0.893222  0.627336  0.376984  1
  Mg  Mg74  1  0.226555  0.294003  0.376984  1
  Mg  Mg75  1  0.162392  0.625602  0.393965  1
  Mg  Mg76  1  0.559889  0.960670  0.376984  1
  Mg  Mg77  1  0.495725  0.292269  0.393965  1
  Mg  Mg78  1  0.432734  0.623902  0.410614  1
  Mg  Mg79  1  0.829058  0.958936  0.393965  1
  Mg  Mg80  1  0.766067  0.290569  0.410614  1
  Mg  Mg81  1  0.099400  0.957236  0.410614  1
  Mg  Mg82  1  0.999361  0.877348  0.378338  1
  Mg  Mg83  1  0.332695  0.544015  0.378338  1
  Mg  Mg84  1  0.269377  0.875625  0.395104  1
  Mg  Mg85  1  0.666028  0.210682  0.378338  1
  Mg  Mg86  1  0.602710  0.542292  0.395104  1
  Mg  Mg87  1  0.539475  0.873637  0.411670  1
  Mg  Mg88  1  0.936044  0.208958  0.395104  1
  Mg  Mg89  1  0.872808  0.540303  0.411670  1
  Mg  Mg90  1  0.206141  0.206970  0.411670  1
  Mg  Mg91  1  0.861120  0.793156  0.385358  1
  Mg  Mg92  1  0.194454  0.459823  0.385358  1
  Mg  Mg93  1  0.130999  0.791470  0.402236  1
  Mg  Mg94  1  0.527787  0.126489  0.385358  1
  Mg  Mg95  1  0.464332  0.458137  0.402236  1
  Mg  Mg96  1  0.400930  0.789631  0.418835  1
  Mg  Mg97  1  0.797666  0.124803  0.402236  1
  Mg  Mg98  1  0.734264  0.456297  0.418835  1
  Mg  Mg99  1  0.067597  0.122964  0.418835  1
  Mg  Mg100  1  0.992365  0.707318  0.409270  1
  Mg  Mg101  1  0.325699  0.373984  0.409270  1
  Mg  Mg102  1  0.262287  0.705527  0.426018  1
  Mg  Mg103  1  0.659032  0.040651  0.409270  1
  Mg  Mg104  1  0.595620  0.372194  0.426018  1
  Mg  Mg105  1  0.722667  0.709079  0.392477  1
  Mg  Mg106  1  0.928953  0.038860  0.426018  1
  Mg  Mg107  1  0.056000  0.375746  0.392477  1
  Mg  Mg108  1  0.389333  0.042413  0.392477  1
  Mg  Mg109  1  0.702222  0.622045  0.427233  1
  Mg  Mg110  1  0.035556  0.288712  0.427233  1
  Mg  Mg111  1  0.971460  0.620236  0.444036  1
  Mg  Mg112  1  0.368889  0.955378  0.427233  1
  Mg  Mg113  1  0.304794  0.286903  0.444036  1
  Mg  Mg114  1  0.241152  0.618457  0.460782  1
  Mg  Mg115  1  0.638127  0.953570  0.444036  1
  Mg  Mg116  1  0.574486  0.285124  0.460782  1
  Mg  Mg117  1  0.907819  0.951791  0.460782  1
  Mg  Mg118  1  0.808509  0.871866  0.428468  1
  Mg  Mg119  1  0.141842  0.538533  0.428468  1
  Mg  Mg120  1  0.078058  0.870153  0.445246  1
  Mg  Mg121  1  0.475175  0.205200  0.428468  1
  Mg  Mg122  1  0.411391  0.536820  0.445246  1
  Mg  Mg123  1  0.347811  0.868320  0.461928  1
  Mg  Mg124  1  0.744725  0.203487  0.445246  1
  Mg  Mg125  1  0.681145  0.534987  0.461928  1
  Mg  Mg126  1  0.014478  0.201654  0.461928  1
  Mg  Mg127  1  0.670178  0.787757  0.435554  1
  Mg  Mg128  1  0.003511  0.454424  0.435554  1
  Mg  Mg129  1  0.939686  0.786021  0.452359  1
  Mg  Mg130  1  0.336845  0.121090  0.435554  1
  Mg  Mg131  1  0.273020  0.452688  0.452359  1
  Mg  Mg132  1  0.209356  0.784230  0.469100  1
  Mg  Mg133  1  0.606353  0.119355  0.452359  1
  Mg  Mg134  1  0.542689  0.450897  0.469100  1
  Mg  Mg135  1  0.876022  0.117564  0.469100  1
  Mg  Mg136  1  0.801275  0.701909  0.459514  1
  Mg  Mg137  1  0.134608  0.368576  0.459514  1
  Mg  Mg138  1  0.070823  0.700141  0.476248  1
  Mg  Mg139  1  0.467941  0.035243  0.459514  1
  Mg  Mg140  1  0.404156  0.366808  0.476248  1
  Mg  Mg141  1  0.531780  0.703708  0.442783  1
  Mg  Mg142  1  0.737489  0.033474  0.476248  1
  Mg  Mg143  1  0.865113  0.370374  0.442783  1
  Mg  Mg144  1  0.198447  0.037041  0.442783  1
  Mg  Mg145  1  0.510815  0.616648  0.477518  1
  Mg  Mg146  1  0.844148  0.283315  0.477518  1
  Mg  Mg147  1  0.780281  0.614840  0.494241  1
  Mg  Mg148  1  0.177481  0.949982  0.477518  1
  Mg  Mg149  1  0.113614  0.281506  0.494241  1
  Mg  Mg150  1  0.049752  0.613067  0.510969  1
  Mg  Mg151  1  0.446948  0.948173  0.494241  1
  Mg  Mg152  1  0.383086  0.279733  0.510969  1
  Mg  Mg153  1  0.716419  0.946400  0.510969  1
  Mg  Mg154  1  0.617267  0.866490  0.478663  1
  Mg  Mg155  1  0.950601  0.533157  0.478663  1
  Mg  Mg156  1  0.886760  0.864735  0.495430  1
  Mg  Mg157  1  0.283934  0.199824  0.478663  1
  Mg  Mg158  1  0.220094  0.531402  0.495430  1
  Mg  Mg159  1  0.156323  0.862939  0.512158  1
  Mg  Mg160  1  0.553427  0.198069  0.495430  1
  Mg  Mg161  1  0.489656  0.529606  0.512158  1
  Mg  Mg162  1  0.822989  0.196273  0.512158  1
  Mg  Mg163  1  0.478886  0.782397  0.485818  1
  Mg  Mg164  1  0.812219  0.449064  0.485818  1
  Mg  Mg165  1  0.748411  0.780619  0.502559  1
  Mg  Mg166  1  0.145553  0.115730  0.485818  1
  Mg  Mg167  1  0.081745  0.447285  0.502559  1
  Mg  Mg168  1  0.017851  0.778871  0.519334  1
  Mg  Mg169  1  0.415078  0.113952  0.502559  1
  Mg  Mg170  1  0.351184  0.445537  0.519334  1
  Mg  Mg171  1  0.684517  0.112204  0.519334  1
  Mg  Mg172  1  0.610065  0.696494  0.509735  1
  Mg  Mg173  1  0.943399  0.363160  0.509735  1
  Mg  Mg174  1  0.879481  0.694746  0.526495  1
  Mg  Mg175  1  0.276732  0.029827  0.509735  1
  Mg  Mg176  1  0.212814  0.361412  0.526495  1
  Mg  Mg177  1  0.340408  0.698304  0.492985  1
  Mg  Mg178  1  0.546147  0.028079  0.526495  1
  Mg  Mg179  1  0.673742  0.364971  0.492985  1
  Mg  Mg180  1  0.007075  0.031637  0.492985  1
  Mg  Mg181  1  0.319239  0.611250  0.527749  1
  Mg  Mg182  1  0.652572  0.277916  0.527749  1
  Mg  Mg183  1  0.588985  0.609421  0.544493  1
  Mg  Mg184  1  0.985906  0.944583  0.527749  1
  Mg  Mg185  1  0.922318  0.276088  0.544493  1
  Mg  Mg186  1  0.858506  0.607651  0.561213  1
  Mg  Mg187  1  0.255652  0.942755  0.544493  1
  Mg  Mg188  1  0.191839  0.274318  0.561213  1
  Mg  Mg189  1  0.525172  0.940984  0.561213  1
  Mg  Mg190  1  0.425941  0.861100  0.528884  1
  Mg  Mg191  1  0.759275  0.527766  0.528884  1
  Mg  Mg192  1  0.695588  0.859339  0.545622  1
  Mg  Mg193  1  0.092608  0.194433  0.528884  1
  Mg  Mg194  1  0.028921  0.526005  0.545622  1
  Mg  Mg195  1  0.964979  0.857607  0.562441  1
  Mg  Mg196  1  0.362254  0.192672  0.545622  1
  Mg  Mg197  1  0.298313  0.524273  0.562441  1
  Mg  Mg198  1  0.631646  0.190940  0.562441  1
  Mg  Mg199  1  0.287376  0.777003  0.536028  1
  Mg  Mg200  1  0.620709  0.443670  0.536028  1
  Mg  Mg201  1  0.557208  0.775187  0.552742  1
  Mg  Mg202  1  0.954042  0.110337  0.536028  1
  Mg  Mg203  1  0.890541  0.441853  0.552742  1
  Mg  Mg204  1  0.826583  0.773511  0.569583  1
  Mg  Mg205  1  0.223874  0.108520  0.552742  1
  Mg  Mg206  1  0.159916  0.440177  0.569583  1
  Mg  Mg207  1  0.493250  0.106844  0.569583  1
  Mg  Mg208  1  0.418789  0.691042  0.559850  1
  Mg  Mg209  1  0.752122  0.357708  0.559850  1
  Mg  Mg210  1  0.688282  0.689313  0.576715  1
  Mg  Mg211  1  0.085456  0.024375  0.559850  1
  Mg  Mg212  1  0.021615  0.355980  0.576715  1
  Mg  Mg213  1  0.148840  0.692971  0.543200  1
  Mg  Mg214  1  0.354948  0.022647  0.576715  1
  Mg  Mg215  1  0.482173  0.359638  0.543200  1
  Mg  Mg216  1  0.815507  0.026304  0.543200  1
  Mg  Mg217  1  0.127588  0.605915  0.577973  1
  Mg  Mg218  1  0.460921  0.272582  0.577973  1
  Mg  Mg219  1  0.397581  0.604003  0.594746  1
  Mg  Mg220  1  0.794254  0.939249  0.577973  1
  Mg  Mg221  1  0.730914  0.270669  0.594746  1
  Mg  Mg222  1  0.667669  0.602206  0.611488  1
  Mg  Mg223  1  0.064247  0.937336  0.594746  1
  Mg  Mg224  1  1.001002  0.268872  0.611488  1
  Mg  Mg225  1  0.334335  0.935539  0.611488  1
  Mg  Mg226  1  0.234472  0.855722  0.579083  1
  Mg  Mg227  1  0.567805  0.522389  0.579083  1
  Mg  Mg228  1  0.504693  0.853900  0.595788  1
  Mg  Mg229  1  0.901138  0.189056  0.579083  1
  Mg  Mg230  1  0.838026  0.520567  0.595788  1
  Mg  Mg231  1  0.774112  0.852246  0.612698  1
  Mg  Mg232  1  0.171359  0.187234  0.595788  1
  Mg  Mg233  1  0.107445  0.518912  0.612698  1
  Mg  Mg234  1  0.440778  0.185579  0.612698  1
  Mg  Mg235  1  0.095698  0.771736  0.586344  1
  Mg  Mg236  1  0.429032  0.438403  0.586344  1
  Mg  Mg237  1  0.365994  0.769681  0.602786  1
  Mg  Mg238  1  0.762365  0.105069  0.586344  1
  Mg  Mg239  1  0.699327  0.436347  0.602786  1
  Mg  Mg240  1  0.635857  0.768046  0.619738  1
  Mg  Mg241  1  0.032661  0.103014  0.602786  1
  Mg  Mg242  1  0.969190  0.434712  0.619738  1
  Mg  Mg243  1  0.302523  0.101379  0.619738  1
  Mg  Mg244  1  0.227372  0.685801  0.609887  1
  Mg  Mg245  1  0.560705  0.352467  0.609887  1
  Mg  Mg246  1  0.497555  0.683727  0.626722  1
  Mg  Mg247  1  0.894039  0.019134  0.609887  1
  Mg  Mg248  1  0.830888  0.350394  0.626722  1
  Mg  Mg249  1  0.957122  0.687631  0.593486  1
  Mg  Mg250  1  0.164221  0.017061  0.626722  1
  Mg  Mg251  1  0.290456  0.354297  0.593486  1
  Mg  Mg252  1  0.623789  0.020964  0.593486  1
  Mg  Mg253  1  0.935917  0.600616  0.628413  1
  Mg  Mg254  1  0.269250  0.267282  0.628413  1
  Mg  Mg255  1  0.205739  0.598722  0.644811  1
  Mg  Mg256  1  0.602584  0.933949  0.628413  1
  Mg  Mg257  1  0.539072  0.265388  0.644811  1
  Mg  Mg258  1  0.477340  0.596704  0.661583  1
  Mg  Mg259  1  0.872406  0.932055  0.644811  1
  Mg  Mg260  1  0.810673  0.263371  0.661583  1
  Mg  Mg261  1  0.144006  0.930037  0.661583  1
  Mg  Mg262  1  0.043177  0.850434  0.629610  1
  Mg  Mg263  1  0.376510  0.517101  0.629610  1
  Mg  Mg264  1  0.313477  0.848296  0.645593  1
  Mg  Mg265  1  0.709843  0.183767  0.629610  1
  Mg  Mg266  1  0.646810  0.514963  0.645593  1
  Mg  Mg267  1  0.583819  0.846918  0.662641  1
  Mg  Mg268  1  0.980144  0.181630  0.645593  1
  Mg  Mg269  1  0.917152  0.513584  0.662641  1
  Mg  Mg270  1  0.250486  0.180251  0.662641  1
  Mg  Mg271  1  0.904071  0.766348  0.636814  1
  Mg  Mg272  1  0.237404  0.433014  0.636814  1
  Mg  Mg273  1  0.174402  0.764710  0.653012  1
  Mg  Mg274  1  0.570737  0.099681  0.636814  1
  Mg  Mg275  1  0.507735  0.431376  0.653012  1
  Mg  Mg276  1  0.445394  0.762336  0.669271  1
  Mg  Mg277  1  0.841069  0.098043  0.653012  1
  Mg  Mg278  1  0.778728  0.429003  0.669271  1
  Mg  Mg279  1  0.112061  0.095669  0.669271  1
  Mg  Mg280  1  0.036153  0.680453  0.659867  1
  Mg  Mg281  1  0.369486  0.347120  0.659867  1
  Mg  Mg282  1  0.306320  0.678619  0.676159  1
  Mg  Mg283  1  0.702820  0.013786  0.659867  1
  Mg  Mg284  1  0.639654  0.345286  0.676159  1
  Mg  Mg285  1  0.765294  0.682265  0.643928  1
  Mg  Mg286  1  0.972987  0.011953  0.676159  1
  Mg  Mg287  1  0.098627  0.348931  0.643928  1
  Mg  Mg288  1  0.431961  0.015598  0.643928  1
  Mg  Mg289  1  0.743985  0.594995  0.678918  1
  Mg  Mg290  1  0.077319  0.261661  0.678918  1
  Mg  Mg291  1  0.014696  0.593182  0.695223  1
  Mg  Mg292  1  0.410652  0.928328  0.678918  1
  Mg  Mg293  1  0.348030  0.259849  0.695223  1
  Mg  Mg294  1  0.286190  0.592579  0.710188  1
  Mg  Mg295  1  0.681363  0.926515  0.695223  1
  Mg  Mg296  1  0.619523  0.259246  0.710188  1
  Mg  Mg297  1  0.952857  0.925913  0.710188  1
  Mg  Mg298  1  0.852981  0.845216  0.679973  1
  Mg  Mg299  1  0.186315  0.511883  0.679973  1
  Mg  Mg300  1  0.123822  0.843719  0.696408  1
  Mg  Mg301  1  0.519648  0.178549  0.679973  1
  Mg  Mg302  1  0.457155  0.510385  0.696408  1
  Mg  Mg303  1  0.391762  0.840111  0.710573  1
  Mg  Mg304  1  0.790488  0.177052  0.696408  1
  Mg  Mg305  1  0.725095  0.506778  0.710573  1
  Mg  Mg306  1  0.058428  0.173445  0.710573  1
  Mg  Mg307  1  0.712283  0.761227  0.687156  1
  Mg  Mg308  1  0.045616  0.427894  0.687156  1
  Mg  Mg309  1  0.984983  0.759278  0.703137  1
  Mg  Mg310  1  0.378949  0.094560  0.687156  1
  Mg  Mg311  1  0.318316  0.425945  0.703137  1
  Mg  Mg312  1  0.255724  0.756867  0.718089  1
  Mg  Mg313  1  0.651649  0.092612  0.703137  1
  Mg  Mg314  1  0.589058  0.423533  0.718089  1
  Mg  Mg315  1  0.922391  0.090200  0.718089  1
  Mg  Mg316  1  0.846650  0.675377  0.709355  1
  Mg  Mg317  1  0.179983  0.342043  0.709355  1
  Mg  Mg318  1  0.117603  0.673586  0.724626  1
  Mg  Mg319  1  0.513316  0.008710  0.709355  1
  Mg  Mg320  1  0.450937  0.340252  0.724626  1
  Mg  Mg321  1  0.573292  0.676843  0.693890  1
  Mg  Mg322  1  0.784270  0.006919  0.724626  1
  Mg  Mg323  1  0.906625  0.343510  0.693890  1
  Mg  Mg324  1  0.239958  0.010176  0.693890  1
