# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45680725
_cell_length_b   31.22117648
_cell_length_c   45.44262119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.95685842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg324
_cell_volume   16214.1446961
_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  0.093984  0.632531  0.327071  1
  Mg  Mg2  1  0.426959  0.299314  0.327023  1
  Mg  Mg3  1  0.557191  0.635297  0.295307  1
  Mg  Mg4  1  0.949124  0.972611  0.279255  1
  Mg  Mg5  1  0.889860  0.301907  0.295279  1
  Mg  Mg6  1  0.824731  0.633739  0.311062  1
  Mg  Mg7  1  0.217976  0.968400  0.294824  1
  Mg  Mg8  1  0.157488  0.300420  0.311023  1
  Mg  Mg9  1  0.488726  0.967146  0.311121  1
  Mg  Mg10  1  0.390993  0.887721  0.280511  1
  Mg  Mg11  1  0.723981  0.554403  0.280605  1
  Mg  Mg12  1  0.659050  0.886201  0.296733  1
  Mg  Mg13  1  0.056592  0.220907  0.280643  1
  Mg  Mg14  1  0.991072  0.552000  0.297072  1
  Mg  Mg15  1  0.929690  0.885023  0.312636  1
  Mg  Mg16  1  0.324047  0.218815  0.297057  1
  Mg  Mg17  1  0.262624  0.550207  0.313279  1
  Mg  Mg18  1  0.595534  0.216913  0.313267  1
  Mg  Mg19  1  0.255302  0.804427  0.287016  1
  Mg  Mg20  1  0.586791  0.471588  0.287045  1
  Mg  Mg21  1  0.521637  0.802737  0.302953  1
  Mg  Mg22  1  0.920301  0.137501  0.287074  1
  Mg  Mg23  1  0.853519  0.469117  0.302979  1
  Mg  Mg24  1  0.791758  0.800715  0.319495  1
  Mg  Mg25  1  0.186947  0.136023  0.303121  1
  Mg  Mg26  1  0.124377  0.467014  0.319504  1
  Mg  Mg27  1  0.457322  0.133738  0.319519  1
  Mg  Mg28  1  0.386022  0.718435  0.309506  1
  Mg  Mg29  1  0.718000  0.385084  0.309423  1
  Mg  Mg30  1  0.653849  0.716028  0.325809  1
  Mg  Mg31  1  0.050963  0.051432  0.309324  1
  Mg  Mg32  1  0.986260  0.382566  0.325785  1
  Mg  Mg33  1  0.119559  0.721019  0.294428  1
  Mg  Mg34  1  0.318741  0.049172  0.325732  1
  Mg  Mg35  1  0.451556  0.388025  0.294395  1
  Mg  Mg36  1  0.785400  0.053539  0.293943  1
  Mg  Mg37  1  0.902195  0.627228  0.376470  1
  Mg  Mg38  1  0.235296  0.293945  0.376464  1
  Mg  Mg39  1  0.362603  0.631203  0.343322  1
  Mg  Mg40  1  0.759134  0.966075  0.327198  1
  Mg  Mg41  1  0.695621  0.297813  0.343316  1
  Mg  Mg42  1  0.632853  0.629135  0.360064  1
  Mg  Mg43  1  0.028323  0.964632  0.343860  1
  Mg  Mg44  1  0.965784  0.295739  0.360047  1
  Mg  Mg45  1  0.298081  0.962395  0.359969  1
  Mg  Mg46  1  0.198828  0.882709  0.328559  1
  Mg  Mg47  1  0.533178  0.549200  0.328959  1
  Mg  Mg48  1  0.467860  0.880629  0.345089  1
  Mg  Mg49  1  0.866200  0.215705  0.328906  1
  Mg  Mg50  1  0.801137  0.547296  0.345207  1
  Mg  Mg51  1  0.737715  0.878996  0.361533  1
  Mg  Mg52  1  0.134272  0.214091  0.345253  1
  Mg  Mg53  1  0.071059  0.545598  0.361657  1
  Mg  Mg54  1  0.404168  0.212347  0.361652  1
  Mg  Mg55  1  0.061972  0.798641  0.335632  1
  Mg  Mg56  1  0.395095  0.465251  0.335809  1
  Mg  Mg57  1  0.330807  0.796598  0.351721  1
  Mg  Mg58  1  0.728089  0.131740  0.335638  1
  Mg  Mg59  1  0.663800  0.463172  0.351769  1
  Mg  Mg60  1  0.600297  0.794870  0.368227  1
  Mg  Mg61  1  0.997178  0.129969  0.351864  1
  Mg  Mg62  1  0.933334  0.461538  0.368206  1
  Mg  Mg63  1  0.266617  0.128267  0.368275  1
  Mg  Mg64  1  0.193532  0.712901  0.359027  1
  Mg  Mg65  1  0.526448  0.379513  0.359019  1
  Mg  Mg66  1  0.462904  0.710812  0.375020  1
  Mg  Mg67  1  0.859798  0.045955  0.358637  1
  Mg  Mg68  1  0.795845  0.377435  0.374989  1
  Mg  Mg69  1  0.923958  0.714280  0.342256  1
  Mg  Mg70  1  0.129006  0.044238  0.375104  1
  Mg  Mg71  1  0.256740  0.380925  0.342267  1
  Mg  Mg72  1  0.589446  0.047645  0.342226  1
  Mg  Mg73  1  0.710776  0.621918  0.426831  1
  Mg  Mg74  1  0.043981  0.288609  0.426820  1
  Mg  Mg75  1  0.171204  0.625617  0.393139  1
  Mg  Mg76  1  0.567517  0.960552  0.376636  1
  Mg  Mg77  1  0.504368  0.292262  0.393132  1
  Mg  Mg78  1  0.440805  0.623852  0.409846  1
  Mg  Mg79  1  0.836972  0.958907  0.393355  1
  Mg  Mg80  1  0.773931  0.290486  0.409840  1
  Mg  Mg81  1  0.107166  0.957106  0.410249  1
  Mg  Mg82  1  0.006908  0.877345  0.378158  1
  Mg  Mg83  1  0.340555  0.544065  0.378300  1
  Mg  Mg84  1  0.276465  0.875331  0.394715  1
  Mg  Mg85  1  0.673759  0.210636  0.378255  1
  Mg  Mg86  1  0.610010  0.542019  0.394855  1
  Mg  Mg87  1  0.546589  0.873481  0.411599  1
  Mg  Mg88  1  0.943182  0.208703  0.394878  1
  Mg  Mg89  1  0.880044  0.540187  0.411626  1
  Mg  Mg90  1  0.213284  0.206884  0.411654  1
  Mg  Mg91  1  0.869740  0.793129  0.384993  1
  Mg  Mg92  1  0.202885  0.459819  0.384995  1
  Mg  Mg93  1  0.139037  0.791401  0.401756  1
  Mg  Mg94  1  0.536014  0.126518  0.384997  1
  Mg  Mg95  1  0.472280  0.458092  0.401805  1
  Mg  Mg96  1  0.408920  0.789421  0.418466  1
  Mg  Mg97  1  0.805519  0.124656  0.401707  1
  Mg  Mg98  1  0.742207  0.456102  0.418462  1
  Mg  Mg99  1  0.075446  0.122827  0.418549  1
  Mg  Mg100  1  0.001530  0.707210  0.408586  1
  Mg  Mg101  1  0.334665  0.373902  0.408577  1
  Mg  Mg102  1  0.271379  0.705412  0.425557  1
  Mg  Mg103  1  0.667793  0.040571  0.408525  1
  Mg  Mg104  1  0.604553  0.372086  0.425547  1
  Mg  Mg105  1  0.732261  0.709007  0.391774  1
  Mg  Mg106  1  0.937575  0.038756  0.425505  1
  Mg  Mg107  1  0.065250  0.375689  0.391742  1
  Mg  Mg108  1  0.398234  0.042373  0.391748  1
  Mg  Mg109  1  0.519464  0.616575  0.477144  1
  Mg  Mg110  1  0.852739  0.283239  0.477133  1
  Mg  Mg111  1  0.980337  0.620150  0.443580  1
  Mg  Mg112  1  0.376782  0.955241  0.426870  1
  Mg  Mg113  1  0.313578  0.286836  0.443576  1
  Mg  Mg114  1  0.249840  0.618365  0.460348  1
  Mg  Mg115  1  0.646408  0.953462  0.443690  1
  Mg  Mg116  1  0.583129  0.285023  0.460345  1
  Mg  Mg117  1  0.916065  0.951662  0.460522  1
  Mg  Mg118  1  0.816255  0.871758  0.428371  1
  Mg  Mg119  1  0.149797  0.538466  0.428367  1
  Mg  Mg120  1  0.085808  0.870010  0.445143  1
  Mg  Mg121  1  0.483044  0.205140  0.428371  1
  Mg  Mg122  1  0.419377  0.536734  0.445175  1
  Mg  Mg123  1  0.355452  0.868166  0.461856  1
  Mg  Mg124  1  0.752643  0.203346  0.445149  1
  Mg  Mg125  1  0.689045  0.534835  0.461905  1
  Mg  Mg126  1  0.022310  0.201528  0.461927  1
  Mg  Mg127  1  0.678681  0.787628  0.435236  1
  Mg  Mg128  1  0.011963  0.454331  0.435211  1
  Mg  Mg129  1  0.948252  0.785863  0.452072  1
  Mg  Mg130  1  0.345224  0.121014  0.435251  1
  Mg  Mg131  1  0.281577  0.452566  0.452054  1
  Mg  Mg132  1  0.217812  0.784099  0.468868  1
  Mg  Mg133  1  0.614813  0.119221  0.452047  1
  Mg  Mg134  1  0.551214  0.450783  0.468883  1
  Mg  Mg135  1  0.884406  0.117442  0.468867  1
  Mg  Mg136  1  0.810545  0.701800  0.458997  1
  Mg  Mg137  1  0.143779  0.368497  0.458972  1
  Mg  Mg138  1  0.080114  0.700024  0.475828  1
  Mg  Mg139  1  0.476916  0.035144  0.458961  1
  Mg  Mg140  1  0.413414  0.366693  0.475809  1
  Mg  Mg141  1  0.540974  0.703596  0.442171  1
  Mg  Mg142  1  0.746473  0.033355  0.475797  1
  Mg  Mg143  1  0.874166  0.370270  0.442143  1
  Mg  Mg144  1  0.207339  0.036968  0.442220  1
  Mg  Mg145  1  0.328156  0.611152  0.527512  1
  Mg  Mg146  1  0.661579  0.277819  0.527517  1
  Mg  Mg147  1  0.789111  0.614746  0.494000  1
  Mg  Mg148  1  0.185810  0.949873  0.477342  1
  Mg  Mg149  1  0.122439  0.281424  0.493993  1
  Mg  Mg150  1  0.058661  0.612964  0.510782  1
  Mg  Mg151  1  0.455313  0.948060  0.494071  1
  Mg  Mg152  1  0.392026  0.279619  0.510780  1
  Mg  Mg153  1  0.724882  0.946266  0.510856  1
  Mg  Mg154  1  0.625122  0.866359  0.478690  1
  Mg  Mg155  1  0.958699  0.533046  0.478691  1
  Mg  Mg156  1  0.894686  0.864576  0.495498  1
  Mg  Mg157  1  0.292014  0.199717  0.478710  1
  Mg  Mg158  1  0.228192  0.531252  0.495473  1
  Mg  Mg159  1  0.164220  0.862801  0.512223  1
  Mg  Mg160  1  0.561535  0.197915  0.495480  1
  Mg  Mg161  1  0.497815  0.529482  0.512240  1
  Mg  Mg162  1  0.831154  0.196139  0.512237  1
  Mg  Mg163  1  0.487434  0.782292  0.485623  1
  Mg  Mg164  1  0.820855  0.448963  0.485617  1
  Mg  Mg165  1  0.756996  0.780509  0.502430  1
  Mg  Mg166  1  0.154108  0.115640  0.485659  1
  Mg  Mg167  1  0.090374  0.447189  0.502413  1
  Mg  Mg168  1  0.026558  0.778729  0.519238  1
  Mg  Mg169  1  0.423672  0.113843  0.502428  1
  Mg  Mg170  1  0.359987  0.445386  0.519196  1
  Mg  Mg171  1  0.693233  0.112047  0.519199  1
  Mg  Mg172  1  0.619313  0.696446  0.509367  1
  Mg  Mg173  1  0.952647  0.363116  0.509352  1
  Mg  Mg174  1  0.888859  0.694660  0.526172  1
  Mg  Mg175  1  0.285812  0.029774  0.509381  1
  Mg  Mg176  1  0.222228  0.361321  0.526147  1
  Mg  Mg177  1  0.349787  0.698219  0.492636  1
  Mg  Mg178  1  0.555316  0.027967  0.526148  1
  Mg  Mg179  1  0.683121  0.364894  0.492631  1
  Mg  Mg180  1  0.016203  0.031546  0.492619  1
  Mg  Mg181  1  0.137119  0.605782  0.577982  1
  Mg  Mg182  1  0.470626  0.272426  0.577982  1
  Mg  Mg183  1  0.597889  0.609359  0.544340  1
  Mg  Mg184  1  0.994583  0.944452  0.527720  1
  Mg  Mg185  1  0.931289  0.276034  0.544333  1
  Mg  Mg186  1  0.867507  0.607562  0.561167  1
  Mg  Mg187  1  0.264166  0.942666  0.544510  1
  Mg  Mg188  1  0.200963  0.274209  0.561162  1
  Mg  Mg189  1  0.533686  0.940855  0.561276  1
  Mg  Mg190  1  0.433882  0.860997  0.529031  1
  Mg  Mg191  1  0.767496  0.527667  0.529046  1
  Mg  Mg192  1  0.703465  0.859211  0.545866  1
  Mg  Mg193  1  0.100872  0.194332  0.529059  1
  Mg  Mg194  1  0.037011  0.525896  0.545879  1
  Mg  Mg195  1  0.973071  0.857426  0.562694  1
  Mg  Mg196  1  0.370443  0.192533  0.545898  1
  Mg  Mg197  1  0.306591  0.524060  0.562621  1
  Mg  Mg198  1  0.640053  0.190719  0.562640  1
  Mg  Mg199  1  0.296178  0.776918  0.535991  1
  Mg  Mg200  1  0.629665  0.443592  0.536004  1
  Mg  Mg201  1  0.565731  0.775152  0.552790  1
  Mg  Mg202  1  0.962937  0.110241  0.535989  1
  Mg  Mg203  1  0.899180  0.441829  0.552792  1
  Mg  Mg204  1  0.835312  0.773390  0.569626  1
  Mg  Mg205  1  0.232520  0.108461  0.552811  1
  Mg  Mg206  1  0.168746  0.440040  0.569582  1
  Mg  Mg207  1  0.502119  0.106671  0.569608  1
  Mg  Mg208  1  0.428153  0.691004  0.559720  1
  Mg  Mg209  1  0.761575  0.357722  0.559739  1
  Mg  Mg210  1  0.697699  0.689257  0.576495  1
  Mg  Mg211  1  0.094670  0.024333  0.559712  1
  Mg  Mg212  1  0.031143  0.355915  0.576480  1
  Mg  Mg213  1  0.158525  0.692853  0.543004  1
  Mg  Mg214  1  0.364256  0.022544  0.576490  1
  Mg  Mg215  1  0.491945  0.359494  0.542976  1
  Mg  Mg216  1  0.825019  0.026159  0.542930  1
  Mg  Mg217  1  0.946285  0.600457  0.628226  1
  Mg  Mg218  1  0.279922  0.267079  0.628215  1
  Mg  Mg219  1  0.406712  0.603901  0.594606  1
  Mg  Mg220  1  0.803288  0.939081  0.578025  1
  Mg  Mg221  1  0.740289  0.270593  0.594614  1
  Mg  Mg222  1  0.676874  0.602095  0.611512  1
  Mg  Mg223  1  0.073308  0.937185  0.595022  1
  Mg  Mg224  1  0.010412  0.268781  0.611503  1
  Mg  Mg225  1  0.342824  0.935410  0.611723  1
  Mg  Mg226  1  0.242649  0.855605  0.579301  1
  Mg  Mg227  1  0.576323  0.522266  0.579354  1
  Mg  Mg228  1  0.512471  0.853798  0.596276  1
  Mg  Mg229  1  0.909805  0.188925  0.579351  1
  Mg  Mg230  1  0.846044  0.520462  0.596325  1
  Mg  Mg231  1  0.781810  0.852014  0.613093  1
  Mg  Mg232  1  0.179559  0.187103  0.596333  1
  Mg  Mg233  1  0.115557  0.518662  0.613085  1
  Mg  Mg234  1  0.449187  0.185314  0.613115  1
  Mg  Mg235  1  0.105073  0.771589  0.586395  1
  Mg  Mg236  1  0.438526  0.438197  0.586310  1
  Mg  Mg237  1  0.374932  0.769608  0.603104  1
  Mg  Mg238  1  0.771902  0.104850  0.586310  1
  Mg  Mg239  1  0.708386  0.436376  0.603195  1
  Mg  Mg240  1  0.644239  0.767896  0.619869  1
  Mg  Mg241  1  0.041805  0.103018  0.603151  1
  Mg  Mg242  1  0.977816  0.434530  0.619854  1
  Mg  Mg243  1  0.311310  0.101177  0.619861  1
  Mg  Mg244  1  0.237472  0.685665  0.610154  1
  Mg  Mg245  1  0.570997  0.352317  0.610124  1
  Mg  Mg246  1  0.507014  0.683671  0.626702  1
  Mg  Mg247  1  0.904110  0.018961  0.609988  1
  Mg  Mg248  1  0.840524  0.350410  0.626738  1
  Mg  Mg249  1  0.967362  0.687530  0.593264  1
  Mg  Mg250  1  0.173519  0.017039  0.626607  1
  Mg  Mg251  1  0.300815  0.354167  0.593229  1
  Mg  Mg252  1  0.634025  0.020795  0.593204  1
  Mg  Mg253  1  0.754535  0.594965  0.677659  1
  Mg  Mg254  1  0.088356  0.261563  0.677659  1
  Mg  Mg255  1  0.215690  0.598574  0.644886  1
  Mg  Mg256  1  0.611899  0.933734  0.628384  1
  Mg  Mg257  1  0.549467  0.265304  0.644897  1
  Mg  Mg258  1  0.485387  0.596380  0.660980  1
  Mg  Mg259  1  0.881350  0.931897  0.644807  1
  Mg  Mg260  1  0.819129  0.263082  0.661006  1
  Mg  Mg261  1  0.151490  0.929844  0.661547  1
  Mg  Mg262  1  0.051169  0.850207  0.629840  1
  Mg  Mg263  1  0.384749  0.516737  0.629739  1
  Mg  Mg264  1  0.320493  0.848112  0.645835  1
  Mg  Mg265  1  0.718423  0.183448  0.629753  1
  Mg  Mg266  1  0.653918  0.514996  0.646234  1
  Mg  Mg267  1  0.590124  0.846734  0.662616  1
  Mg  Mg268  1  0.987584  0.181726  0.646223  1
  Mg  Mg269  1  0.924219  0.513338  0.662642  1
  Mg  Mg270  1  0.257986  0.180040  0.662644  1
  Mg  Mg271  1  0.913693  0.766147  0.636633  1
  Mg  Mg272  1  0.247119  0.432756  0.636564  1
  Mg  Mg273  1  0.183166  0.764411  0.653140  1
  Mg  Mg274  1  0.580732  0.099422  0.636581  1
  Mg  Mg275  1  0.516511  0.430954  0.653052  1
  Mg  Mg276  1  0.451989  0.762374  0.669226  1
  Mg  Mg277  1  0.850154  0.097706  0.652995  1
  Mg  Mg278  1  0.785734  0.429179  0.669363  1
  Mg  Mg279  1  0.119228  0.095939  0.669217  1
  Mg  Mg280  1  0.046041  0.680381  0.659773  1
  Mg  Mg281  1  0.379615  0.346926  0.659717  1
  Mg  Mg282  1  0.315044  0.678290  0.676306  1
  Mg  Mg283  1  0.712988  0.013589  0.659604  1
  Mg  Mg284  1  0.648740  0.345107  0.676349  1
  Mg  Mg285  1  0.776199  0.682032  0.643325  1
  Mg  Mg286  1  0.981037  0.011954  0.675959  1
  Mg  Mg287  1  0.109785  0.348634  0.643318  1
  Mg  Mg288  1  0.443109  0.015364  0.643195  1
  Mg  Mg289  1  0.564154  0.588442  0.725582  1
  Mg  Mg290  1  0.898367  0.255062  0.725608  1
  Mg  Mg291  1  0.024930  0.593878  0.693730  1
  Mg  Mg292  1  0.420162  0.928432  0.677784  1
  Mg  Mg293  1  0.358887  0.260550  0.693764  1
  Mg  Mg294  1  0.295437  0.592601  0.710010  1
  Mg  Mg295  1  0.689532  0.927279  0.693824  1
  Mg  Mg296  1  0.629542  0.259302  0.710031  1
  Mg  Mg297  1  0.956986  0.925740  0.709557  1
  Mg  Mg298  1  0.860239  0.844991  0.679052  1
  Mg  Mg299  1  0.194555  0.511714  0.679112  1
  Mg  Mg300  1  0.128033  0.842583  0.695354  1
  Mg  Mg301  1  0.528693  0.178513  0.679125  1
  Mg  Mg302  1  0.462027  0.509634  0.695479  1
  Mg  Mg303  1  0.394489  0.839975  0.710440  1
  Mg  Mg304  1  0.796450  0.176254  0.695534  1
  Mg  Mg305  1  0.727849  0.507628  0.710902  1
  Mg  Mg306  1  0.062011  0.174119  0.710922  1
  Mg  Mg307  1  0.722214  0.760308  0.685366  1
  Mg  Mg308  1  0.055968  0.426925  0.685346  1
  Mg  Mg309  1  0.992318  0.758287  0.701905  1
  Mg  Mg310  1  0.389998  0.093952  0.685338  1
  Mg  Mg311  1  0.325667  0.424730  0.701765  1
  Mg  Mg312  1  0.258656  0.756579  0.717845  1
  Mg  Mg313  1  0.660365  0.091667  0.701734  1
  Mg  Mg314  1  0.591927  0.423995  0.717814  1
  Mg  Mg315  1  0.927012  0.090170  0.717784  1
  Mg  Mg316  1  0.854795  0.674828  0.708126  1
  Mg  Mg317  1  0.188552  0.341375  0.708131  1
  Mg  Mg318  1  0.122804  0.673312  0.724358  1
  Mg  Mg319  1  0.523158  0.008886  0.707797  1
  Mg  Mg320  1  0.456933  0.340142  0.724312  1
  Mg  Mg321  1  0.584168  0.676006  0.692218  1
  Mg  Mg322  1  0.790570  0.006788  0.724222  1
  Mg  Mg323  1  0.917974  0.342638  0.692232  1
  Mg  Mg324  1  0.251707  0.010774  0.691587  1
