# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45620539
_cell_length_b   31.22039271
_cell_length_c   45.44820436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.95685483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg324
_cell_volume   16214.8777729
_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  0.088635  0.632437  0.328414  1
  Mg  Mg2  1  0.610416  0.305807  0.280594  1
  Mg  Mg3  1  0.551799  0.635130  0.296645  1
  Mg  Mg4  1  0.944630  0.972426  0.280620  1
  Mg  Mg5  1  0.879248  0.301568  0.296169  1
  Mg  Mg6  1  0.819263  0.633590  0.312375  1
  Mg  Mg7  1  0.213355  0.968269  0.296191  1
  Mg  Mg8  1  0.149909  0.300320  0.312435  1
  Mg  Mg9  1  0.483867  0.966991  0.312469  1
  Mg  Mg10  1  0.385989  0.887557  0.281843  1
  Mg  Mg11  1  0.718222  0.554081  0.281979  1
  Mg  Mg12  1  0.654006  0.886041  0.298073  1
  Mg  Mg13  1  0.051860  0.220727  0.281889  1
  Mg  Mg14  1  0.985642  0.551983  0.298401  1
  Mg  Mg15  1  0.924635  0.884862  0.313979  1
  Mg  Mg16  1  0.320249  0.219494  0.298068  1
  Mg  Mg17  1  0.257098  0.550095  0.314610  1
  Mg  Mg18  1  0.590829  0.218230  0.313966  1
  Mg  Mg19  1  0.250129  0.804291  0.288357  1
  Mg  Mg20  1  0.581771  0.470700  0.288417  1
  Mg  Mg21  1  0.516476  0.802581  0.304295  1
  Mg  Mg22  1  0.916857  0.136874  0.288387  1
  Mg  Mg23  1  0.848428  0.469201  0.304465  1
  Mg  Mg24  1  0.786585  0.800559  0.320832  1
  Mg  Mg25  1  0.183126  0.136138  0.304435  1
  Mg  Mg26  1  0.118800  0.466916  0.320861  1
  Mg  Mg27  1  0.452830  0.133942  0.320852  1
  Mg  Mg28  1  0.380752  0.718286  0.310847  1
  Mg  Mg29  1  0.712335  0.384615  0.310667  1
  Mg  Mg30  1  0.648553  0.715878  0.327147  1
  Mg  Mg31  1  0.046760  0.051235  0.310722  1
  Mg  Mg32  1  0.980098  0.382356  0.327075  1
  Mg  Mg33  1  0.114290  0.720893  0.295762  1
  Mg  Mg34  1  0.314237  0.049155  0.327088  1
  Mg  Mg35  1  0.446765  0.386751  0.295281  1
  Mg  Mg36  1  0.780929  0.053240  0.295300  1
  Mg  Mg37  1  0.896896  0.627135  0.377809  1
  Mg  Mg38  1  0.420438  0.299306  0.328540  1
  Mg  Mg39  1  0.357305  0.631025  0.344651  1
  Mg  Mg40  1  0.754260  0.965903  0.328540  1
  Mg  Mg41  1  0.689664  0.297787  0.345190  1
  Mg  Mg42  1  0.627445  0.628972  0.361387  1
  Mg  Mg43  1  0.023406  0.964489  0.345215  1
  Mg  Mg44  1  0.959328  0.295565  0.361297  1
  Mg  Mg45  1  0.293105  0.962296  0.361309  1
  Mg  Mg46  1  0.193756  0.882579  0.329892  1
  Mg  Mg47  1  0.527763  0.548915  0.330238  1
  Mg  Mg48  1  0.462760  0.880488  0.346421  1
  Mg  Mg49  1  0.860059  0.215763  0.329848  1
  Mg  Mg50  1  0.795812  0.547281  0.346590  1
  Mg  Mg51  1  0.732600  0.878836  0.362868  1
  Mg  Mg52  1  0.129184  0.213944  0.346477  1
  Mg  Mg53  1  0.065691  0.545505  0.362998  1
  Mg  Mg54  1  0.399014  0.212234  0.362875  1
  Mg  Mg55  1  0.056807  0.798495  0.336973  1
  Mg  Mg56  1  0.389565  0.464930  0.336982  1
  Mg  Mg57  1  0.325629  0.796458  0.353055  1
  Mg  Mg58  1  0.723061  0.131690  0.336836  1
  Mg  Mg59  1  0.658639  0.463163  0.353200  1
  Mg  Mg60  1  0.595102  0.794722  0.369561  1
  Mg  Mg61  1  0.992283  0.129915  0.353143  1
  Mg  Mg62  1  0.928063  0.461447  0.369613  1
  Mg  Mg63  1  0.261676  0.128113  0.369630  1
  Mg  Mg64  1  0.188297  0.712756  0.360361  1
  Mg  Mg65  1  0.521205  0.379143  0.359973  1
  Mg  Mg66  1  0.457622  0.710662  0.376355  1
  Mg  Mg67  1  0.854871  0.045873  0.359962  1
  Mg  Mg68  1  0.790366  0.377421  0.376441  1
  Mg  Mg69  1  0.918667  0.714134  0.343583  1
  Mg  Mg70  1  0.124041  0.044131  0.376456  1
  Mg  Mg71  1  0.250803  0.380828  0.343556  1
  Mg  Mg72  1  0.584572  0.047530  0.343558  1
  Mg  Mg73  1  0.705506  0.621788  0.428164  1
  Mg  Mg74  1  0.228871  0.293790  0.377978  1
  Mg  Mg75  1  0.165969  0.625459  0.394470  1
  Mg  Mg76  1  0.562509  0.960412  0.377968  1
  Mg  Mg77  1  0.498381  0.292088  0.394689  1
  Mg  Mg78  1  0.435486  0.623684  0.411169  1
  Mg  Mg79  1  0.831920  0.958774  0.394680  1
  Mg  Mg80  1  0.768505  0.290277  0.411576  1
  Mg  Mg81  1  0.102081  0.956968  0.411584  1
  Mg  Mg82  1  0.001784  0.877198  0.379490  1
  Mg  Mg83  1  0.335278  0.543830  0.379586  1
  Mg  Mg84  1  0.271328  0.875205  0.396037  1
  Mg  Mg85  1  0.668274  0.210459  0.379454  1
  Mg  Mg86  1  0.604690  0.541908  0.396202  1
  Mg  Mg87  1  0.541437  0.873339  0.412925  1
  Mg  Mg88  1  0.937802  0.208552  0.396067  1
  Mg  Mg89  1  0.874774  0.540074  0.412984  1
  Mg  Mg90  1  0.207983  0.206703  0.412960  1
  Mg  Mg91  1  0.864554  0.792973  0.386324  1
  Mg  Mg92  1  0.197483  0.459692  0.386332  1
  Mg  Mg93  1  0.133863  0.791261  0.403088  1
  Mg  Mg94  1  0.530977  0.126340  0.386339  1
  Mg  Mg95  1  0.466989  0.457851  0.403041  1
  Mg  Mg96  1  0.403721  0.789280  0.419794  1
  Mg  Mg97  1  0.800408  0.124493  0.402997  1
  Mg  Mg98  1  0.736893  0.456019  0.419879  1
  Mg  Mg99  1  0.070269  0.122672  0.419879  1
  Mg  Mg100  1  0.996319  0.707071  0.409917  1
  Mg  Mg101  1  0.329229  0.373766  0.409859  1
  Mg  Mg102  1  0.266141  0.705265  0.426889  1
  Mg  Mg103  1  0.662746  0.040407  0.409867  1
  Mg  Mg104  1  0.598984  0.371945  0.426839  1
  Mg  Mg105  1  0.726979  0.708855  0.393101  1
  Mg  Mg106  1  0.932467  0.038603  0.426837  1
  Mg  Mg107  1  0.059601  0.375555  0.393079  1
  Mg  Mg108  1  0.393232  0.042207  0.393108  1
  Mg  Mg109  1  0.514212  0.616417  0.478464  1
  Mg  Mg110  1  0.038167  0.288444  0.428207  1
  Mg  Mg111  1  0.975108  0.620014  0.444911  1
  Mg  Mg112  1  0.371674  0.955087  0.428207  1
  Mg  Mg113  1  0.307830  0.286661  0.445026  1
  Mg  Mg114  1  0.244628  0.618203  0.461676  1
  Mg  Mg115  1  0.641286  0.953308  0.445020  1
  Mg  Mg116  1  0.577505  0.284836  0.461852  1
  Mg  Mg117  1  0.910905  0.951511  0.461846  1
  Mg  Mg118  1  0.811099  0.871613  0.429692  1
  Mg  Mg119  1  0.144542  0.538326  0.429697  1
  Mg  Mg120  1  0.080646  0.869866  0.446466  1
  Mg  Mg121  1  0.477654  0.204955  0.429707  1
  Mg  Mg122  1  0.414129  0.536536  0.446474  1
  Mg  Mg123  1  0.350274  0.868016  0.463180  1
  Mg  Mg124  1  0.747223  0.203148  0.446446  1
  Mg  Mg125  1  0.683780  0.534711  0.463255  1
  Mg  Mg126  1  0.016853  0.201375  0.463208  1
  Mg  Mg127  1  0.673482  0.787479  0.436562  1
  Mg  Mg128  1  0.006674  0.454199  0.436580  1
  Mg  Mg129  1  0.943063  0.785717  0.453397  1
  Mg  Mg130  1  0.340048  0.120830  0.436606  1
  Mg  Mg131  1  0.276274  0.452408  0.453376  1
  Mg  Mg132  1  0.212616  0.783951  0.470194  1
  Mg  Mg133  1  0.609615  0.119040  0.453395  1
  Mg  Mg134  1  0.545857  0.450629  0.470196  1
  Mg  Mg135  1  0.879130  0.117277  0.470181  1
  Mg  Mg136  1  0.805325  0.701659  0.460321  1
  Mg  Mg137  1  0.138346  0.368337  0.460289  1
  Mg  Mg138  1  0.074908  0.699872  0.477155  1
  Mg  Mg139  1  0.471779  0.034973  0.460308  1
  Mg  Mg140  1  0.407917  0.366538  0.477127  1
  Mg  Mg141  1  0.535719  0.703444  0.443495  1
  Mg  Mg142  1  0.741294  0.033202  0.477140  1
  Mg  Mg143  1  0.868736  0.370150  0.443548  1
  Mg  Mg144  1  0.202198  0.036809  0.443568  1
  Mg  Mg145  1  0.322985  0.610996  0.528838  1
  Mg  Mg146  1  0.847214  0.283050  0.478667  1
  Mg  Mg147  1  0.783912  0.614603  0.495327  1
  Mg  Mg148  1  0.180637  0.949718  0.478672  1
  Mg  Mg149  1  0.116768  0.281251  0.495403  1
  Mg  Mg150  1  0.053482  0.612810  0.512110  1
  Mg  Mg151  1  0.450133  0.947906  0.495401  1
  Mg  Mg152  1  0.386355  0.279446  0.512188  1
  Mg  Mg153  1  0.719683  0.946124  0.512181  1
  Mg  Mg154  1  0.619940  0.866210  0.480011  1
  Mg  Mg155  1  0.953483  0.532902  0.480034  1
  Mg  Mg156  1  0.889485  0.864424  0.496814  1
  Mg  Mg157  1  0.286570  0.199548  0.480036  1
  Mg  Mg158  1  0.222987  0.531096  0.496801  1
  Mg  Mg159  1  0.159012  0.862651  0.513544  1
  Mg  Mg160  1  0.556151  0.197754  0.496829  1
  Mg  Mg161  1  0.492596  0.529324  0.513560  1
  Mg  Mg162  1  0.825678  0.195976  0.513549  1
  Mg  Mg163  1  0.482236  0.782141  0.486945  1
  Mg  Mg164  1  0.815561  0.448823  0.486984  1
  Mg  Mg165  1  0.751798  0.780360  0.503752  1
  Mg  Mg166  1  0.148807  0.115484  0.486987  1
  Mg  Mg167  1  0.085123  0.447027  0.503754  1
  Mg  Mg168  1  0.021361  0.778578  0.520557  1
  Mg  Mg169  1  0.418420  0.113680  0.503769  1
  Mg  Mg170  1  0.354686  0.445230  0.520522  1
  Mg  Mg171  1  0.687939  0.111907  0.520563  1
  Mg  Mg172  1  0.614104  0.696294  0.510684  1
  Mg  Mg173  1  0.947255  0.362955  0.510702  1
  Mg  Mg174  1  0.883668  0.694511  0.527492  1
  Mg  Mg175  1  0.280597  0.029618  0.510710  1
  Mg  Mg176  1  0.216777  0.361152  0.527472  1
  Mg  Mg177  1  0.344570  0.698068  0.493961  1
  Mg  Mg178  1  0.550091  0.027823  0.527490  1
  Mg  Mg179  1  0.677635  0.364730  0.493947  1
  Mg  Mg180  1  0.010974  0.031387  0.493944  1
  Mg  Mg181  1  0.132013  0.605629  0.579305  1
  Mg  Mg182  1  0.656055  0.277631  0.529047  1
  Mg  Mg183  1  0.592730  0.609208  0.545656  1
  Mg  Mg184  1  0.989330  0.944295  0.529035  1
  Mg  Mg185  1  0.925665  0.275847  0.545832  1
  Mg  Mg186  1  0.862387  0.607408  0.562487  1
  Mg  Mg187  1  0.258954  0.942505  0.545829  1
  Mg  Mg188  1  0.195217  0.274034  0.562600  1
  Mg  Mg189  1  0.528458  0.940720  0.562596  1
  Mg  Mg190  1  0.428685  0.860846  0.530350  1
  Mg  Mg191  1  0.762326  0.527515  0.530381  1
  Mg  Mg192  1  0.698254  0.859070  0.547180  1
  Mg  Mg193  1  0.095384  0.194177  0.530369  1
  Mg  Mg194  1  0.031884  0.525726  0.547216  1
  Mg  Mg195  1  0.967825  0.857274  0.564004  1
  Mg  Mg196  1  0.365020  0.192373  0.547204  1
  Mg  Mg197  1  0.301461  0.523902  0.563955  1
  Mg  Mg198  1  0.634634  0.190600  0.564032  1
  Mg  Mg199  1  0.290982  0.776771  0.537311  1
  Mg  Mg200  1  0.624388  0.443428  0.537311  1
  Mg  Mg201  1  0.560542  0.775007  0.554105  1
  Mg  Mg202  1  0.957580  0.110087  0.537295  1
  Mg  Mg203  1  0.893982  0.441649  0.554130  1
  Mg  Mg204  1  0.830113  0.773242  0.570940  1
  Mg  Mg205  1  0.227217  0.108304  0.554123  1
  Mg  Mg206  1  0.163571  0.439856  0.570925  1
  Mg  Mg207  1  0.496832  0.106539  0.570965  1
  Mg  Mg208  1  0.422982  0.690859  0.561035  1
  Mg  Mg209  1  0.756147  0.357523  0.561029  1
  Mg  Mg210  1  0.692536  0.689111  0.577805  1
  Mg  Mg211  1  0.089413  0.024136  0.561003  1
  Mg  Mg212  1  0.025746  0.355729  0.577805  1
  Mg  Mg213  1  0.153338  0.692703  0.544324  1
  Mg  Mg214  1  0.358993  0.022404  0.577810  1
  Mg  Mg215  1  0.486479  0.359342  0.544253  1
  Mg  Mg216  1  0.819744  0.026034  0.544275  1
  Mg  Mg217  1  0.941279  0.600319  0.629534  1
  Mg  Mg218  1  0.464813  0.272261  0.579355  1
  Mg  Mg219  1  0.401630  0.603764  0.595925  1
  Mg  Mg220  1  0.798018  0.938951  0.579344  1
  Mg  Mg221  1  0.734863  0.270384  0.596332  1
  Mg  Mg222  1  0.671823  0.601963  0.612816  1
  Mg  Mg223  1  0.067988  0.937018  0.596327  1
  Mg  Mg224  1  0.004428  0.268608  0.613039  1
  Mg  Mg225  1  0.337591  0.935253  0.613032  1
  Mg  Mg226  1  0.237419  0.855458  0.580617  1
  Mg  Mg227  1  0.571224  0.522114  0.580669  1
  Mg  Mg228  1  0.507269  0.853660  0.597585  1
  Mg  Mg229  1  0.904246  0.188784  0.580627  1
  Mg  Mg230  1  0.841007  0.520300  0.597646  1
  Mg  Mg231  1  0.776537  0.851864  0.614396  1
  Mg  Mg232  1  0.174134  0.186968  0.597594  1
  Mg  Mg233  1  0.110567  0.518498  0.614422  1
  Mg  Mg234  1  0.443550  0.185182  0.614428  1
  Mg  Mg235  1  0.099874  0.771449  0.587708  1
  Mg  Mg236  1  0.433349  0.438043  0.587626  1
  Mg  Mg237  1  0.369757  0.769469  0.604416  1
  Mg  Mg238  1  0.766588  0.104768  0.587712  1
  Mg  Mg239  1  0.703275  0.436215  0.604465  1
  Mg  Mg240  1  0.639055  0.767742  0.621178  1
  Mg  Mg241  1  0.036514  0.102778  0.604367  1
  Mg  Mg242  1  0.972782  0.434352  0.621174  1
  Mg  Mg243  1  0.305911  0.101051  0.621176  1
  Mg  Mg244  1  0.232324  0.685538  0.611458  1
  Mg  Mg245  1  0.565607  0.352167  0.611296  1
  Mg  Mg246  1  0.501882  0.683525  0.628014  1
  Mg  Mg247  1  0.898779  0.018851  0.611318  1
  Mg  Mg248  1  0.835032  0.350233  0.627917  1
  Mg  Mg249  1  0.962200  0.687389  0.594576  1
  Mg  Mg250  1  0.168236  0.016805  0.627872  1
  Mg  Mg251  1  0.295506  0.353986  0.594522  1
  Mg  Mg252  1  0.628746  0.020683  0.594550  1
  Mg  Mg253  1  0.749661  0.594796  0.678966  1
  Mg  Mg254  1  0.273499  0.266925  0.629706  1
  Mg  Mg255  1  0.210714  0.598475  0.646200  1
  Mg  Mg256  1  0.606598  0.933643  0.629700  1
  Mg  Mg257  1  0.543010  0.265132  0.646122  1
  Mg  Mg258  1  0.480473  0.596239  0.662308  1
  Mg  Mg259  1  0.875940  0.931735  0.646105  1
  Mg  Mg260  1  0.813173  0.263057  0.662849  1
  Mg  Mg261  1  0.146190  0.929668  0.662843  1
  Mg  Mg262  1  0.045894  0.850058  0.631149  1
  Mg  Mg263  1  0.379794  0.516632  0.631065  1
  Mg  Mg264  1  0.315267  0.847969  0.647141  1
  Mg  Mg265  1  0.712954  0.183435  0.631180  1
  Mg  Mg266  1  0.649002  0.514915  0.647531  1
  Mg  Mg267  1  0.584839  0.846591  0.663908  1
  Mg  Mg268  1  0.982352  0.181358  0.647149  1
  Mg  Mg269  1  0.919353  0.513226  0.663938  1
  Mg  Mg270  1  0.252059  0.179946  0.663897  1
  Mg  Mg271  1  0.908496  0.766000  0.637943  1
  Mg  Mg272  1  0.242177  0.432603  0.637896  1
  Mg  Mg273  1  0.177986  0.764273  0.654447  1
  Mg  Mg274  1  0.575459  0.099332  0.637964  1
  Mg  Mg275  1  0.511616  0.430901  0.654305  1
  Mg  Mg276  1  0.446822  0.762230  0.670533  1
  Mg  Mg277  1  0.844994  0.097698  0.654399  1
  Mg  Mg278  1  0.780706  0.429130  0.670527  1
  Mg  Mg279  1  0.113700  0.095619  0.670356  1
  Mg  Mg280  1  0.040929  0.680241  0.661080  1
  Mg  Mg281  1  0.374517  0.346779  0.660916  1
  Mg  Mg282  1  0.309961  0.678161  0.677607  1
  Mg  Mg283  1  0.707651  0.013574  0.660962  1
  Mg  Mg284  1  0.642590  0.345165  0.677260  1
  Mg  Mg285  1  0.771074  0.681875  0.644639  1
  Mg  Mg286  1  0.975611  0.011670  0.677207  1
  Mg  Mg287  1  0.104621  0.348523  0.644520  1
  Mg  Mg288  1  0.437729  0.015272  0.644514  1
  Mg  Mg289  1  0.559682  0.588259  0.726908  1
  Mg  Mg290  1  0.081833  0.261557  0.679142  1
  Mg  Mg291  1  0.020067  0.593724  0.695044  1
  Mg  Mg292  1  0.414807  0.928340  0.679094  1
  Mg  Mg293  1  0.351306  0.260449  0.695142  1
  Mg  Mg294  1  0.290822  0.592470  0.711339  1
  Mg  Mg295  1  0.684063  0.927130  0.695103  1
  Mg  Mg296  1  0.618944  0.258963  0.710884  1
  Mg  Mg297  1  0.951612  0.925573  0.710856  1
  Mg  Mg298  1  0.854948  0.844843  0.680356  1
  Mg  Mg299  1  0.190057  0.511699  0.680432  1
  Mg  Mg300  1  0.122781  0.842435  0.696657  1
  Mg  Mg301  1  0.522539  0.178304  0.680379  1
  Mg  Mg302  1  0.457841  0.509439  0.696839  1
  Mg  Mg303  1  0.389250  0.839852  0.711734  1
  Mg  Mg304  1  0.790805  0.175786  0.696740  1
  Mg  Mg305  1  0.723413  0.507332  0.712219  1
  Mg  Mg306  1  0.057257  0.172845  0.711767  1
  Mg  Mg307  1  0.717033  0.760157  0.686671  1
  Mg  Mg308  1  0.051469  0.427133  0.686647  1
  Mg  Mg309  1  0.987158  0.758134  0.703211  1
  Mg  Mg310  1  0.384413  0.093857  0.686661  1
  Mg  Mg311  1  0.321849  0.424848  0.703043  1
  Mg  Mg312  1  0.253503  0.756443  0.719146  1
  Mg  Mg313  1  0.655277  0.091754  0.703185  1
  Mg  Mg314  1  0.588505  0.423369  0.719088  1
  Mg  Mg315  1  0.922015  0.089282  0.719117  1
  Mg  Mg316  1  0.849738  0.674670  0.709432  1
  Mg  Mg317  1  0.184741  0.342056  0.709109  1
  Mg  Mg318  1  0.117802  0.673149  0.725653  1
  Mg  Mg319  1  0.517716  0.008871  0.709094  1
  Mg  Mg320  1  0.452205  0.339963  0.725520  1
  Mg  Mg321  1  0.579096  0.675849  0.693530  1
  Mg  Mg322  1  0.784815  0.006467  0.725558  1
  Mg  Mg323  1  0.913250  0.343956  0.692900  1
  Mg  Mg324  1  0.246159  0.010663  0.692888  1
