# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.51571086
_cell_length_b   22.85601943
_cell_length_c   46.73705710
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.23712462
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   16444.3514137
_cell_formula_units_Z   312
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  0.584248  0.349412  0.302629  1
  Mg  Mg2  1  0.250915  0.349412  0.302629  1
  Mg  Mg3  1  0.172149  0.858865  0.287463  1
  Mg  Mg4  1  0.917581  0.349412  0.302629  1
  Mg  Mg5  1  0.838815  0.858865  0.287463  1
  Mg  Mg6  1  0.505482  0.858865  0.287463  1
  Mg  Mg7  1  0.051030  0.722214  0.305860  1
  Mg  Mg8  1  0.717697  0.722214  0.305860  1
  Mg  Mg9  1  0.636356  0.231524  0.291665  1
  Mg  Mg10  1  0.384363  0.722214  0.305860  1
  Mg  Mg11  1  0.303022  0.231524  0.291665  1
  Mg  Mg12  1  0.969689  0.231524  0.291665  1
  Mg  Mg13  1  0.878234  0.604852  0.295663  1
  Mg  Mg14  1  0.544900  0.604852  0.295663  1
  Mg  Mg15  1  0.289481  0.095146  0.309892  1
  Mg  Mg16  1  0.211567  0.604852  0.295663  1
  Mg  Mg17  1  0.956148  0.095146  0.309892  1
  Mg  Mg18  1  0.622814  0.095146  0.309892  1
  Mg  Mg19  1  0.862944  0.468178  0.313894  1
  Mg  Mg20  1  0.529610  0.468178  0.313894  1
  Mg  Mg21  1  0.451291  0.975808  0.298433  1
  Mg  Mg22  1  0.196277  0.468178  0.313894  1
  Mg  Mg23  1  0.117958  0.975808  0.298433  1
  Mg  Mg24  1  0.784625  0.975808  0.298433  1
  Mg  Mg25  1  0.409874  0.333164  0.335140  1
  Mg  Mg26  1  0.076541  0.333164  0.335140  1
  Mg  Mg27  1  0.995886  0.840203  0.318100  1
  Mg  Mg28  1  0.743208  0.333164  0.335140  1
  Mg  Mg29  1  0.662553  0.840203  0.318100  1
  Mg  Mg30  1  0.329220  0.840203  0.318100  1
  Mg  Mg31  1  0.875009  0.706288  0.339208  1
  Mg  Mg32  1  0.541675  0.706288  0.339208  1
  Mg  Mg33  1  0.461792  0.213413  0.322241  1
  Mg  Mg34  1  0.208342  0.706288  0.339208  1
  Mg  Mg35  1  0.128459  0.213413  0.322241  1
  Mg  Mg36  1  0.795126  0.213413  0.322241  1
  Mg  Mg37  1  0.702530  0.586143  0.326317  1
  Mg  Mg38  1  0.369197  0.586143  0.326317  1
  Mg  Mg39  1  0.115856  0.079108  0.342959  1
  Mg  Mg40  1  0.035863  0.586143  0.326317  1
  Mg  Mg41  1  0.782523  0.079108  0.342959  1
  Mg  Mg42  1  0.449189  0.079108  0.342959  1
  Mg  Mg43  1  0.689189  0.451968  0.347101  1
  Mg  Mg44  1  0.355856  0.451968  0.347101  1
  Mg  Mg45  1  0.277110  0.960362  0.331028  1
  Mg  Mg46  1  0.022522  0.451968  0.347101  1
  Mg  Mg47  1  0.943777  0.960362  0.331028  1
  Mg  Mg48  1  0.610443  0.960362  0.331028  1
  Mg  Mg49  1  0.234484  0.315890  0.368385  1
  Mg  Mg50  1  0.901150  0.315890  0.368385  1
  Mg  Mg51  1  0.821193  0.824513  0.352257  1
  Mg  Mg52  1  0.567817  0.315890  0.368385  1
  Mg  Mg53  1  0.487860  0.824513  0.352257  1
  Mg  Mg54  1  0.154527  0.824513  0.352257  1
  Mg  Mg55  1  0.699410  0.688735  0.372425  1
  Mg  Mg56  1  0.366077  0.688735  0.372425  1
  Mg  Mg57  1  0.287524  0.197365  0.356386  1
  Mg  Mg58  1  0.032744  0.688735  0.372425  1
  Mg  Mg59  1  0.954190  0.197365  0.356386  1
  Mg  Mg60  1  0.620857  0.197365  0.356386  1
  Mg  Mg61  1  0.528096  0.570212  0.360464  1
  Mg  Mg62  1  0.194763  0.570212  0.360464  1
  Mg  Mg63  1  0.940440  0.062026  0.376692  1
  Mg  Mg64  1  0.861430  0.570212  0.360464  1
  Mg  Mg65  1  0.607107  0.062026  0.376692  1
  Mg  Mg66  1  0.273774  0.062026  0.376692  1
  Mg  Mg67  1  0.514808  0.434959  0.380756  1
  Mg  Mg68  1  0.181475  0.434959  0.380756  1
  Mg  Mg69  1  0.101866  0.943072  0.364222  1
  Mg  Mg70  1  0.848141  0.434959  0.380756  1
  Mg  Mg71  1  0.768533  0.943072  0.364222  1
  Mg  Mg72  1  0.435200  0.943072  0.364222  1
  Mg  Mg73  1  0.059707  0.299551  0.402008  1
  Mg  Mg74  1  0.726373  0.299551  0.402008  1
  Mg  Mg75  1  0.646547  0.807774  0.385312  1
  Mg  Mg76  1  0.393040  0.299551  0.402008  1
  Mg  Mg77  1  0.313214  0.807774  0.385312  1
  Mg  Mg78  1  0.979880  0.807774  0.385312  1
  Mg  Mg79  1  0.524528  0.672401  0.406175  1
  Mg  Mg80  1  0.191195  0.672401  0.406175  1
  Mg  Mg81  1  0.112244  0.180621  0.389382  1
  Mg  Mg82  1  0.857862  0.672401  0.406175  1
  Mg  Mg83  1  0.778911  0.180621  0.389382  1
  Mg  Mg84  1  0.445578  0.180621  0.389382  1
  Mg  Mg85  1  0.353081  0.553585  0.393534  1
  Mg  Mg86  1  0.019747  0.553585  0.393534  1
  Mg  Mg87  1  0.765541  0.045319  0.410176  1
  Mg  Mg88  1  0.686414  0.553585  0.393534  1
  Mg  Mg89  1  0.432208  0.045319  0.410176  1
  Mg  Mg90  1  0.098874  0.045319  0.410176  1
  Mg  Mg91  1  0.339906  0.418230  0.414281  1
  Mg  Mg92  1  0.006572  0.418230  0.414281  1
  Mg  Mg93  1  0.927190  0.926627  0.397852  1
  Mg  Mg94  1  0.673239  0.418230  0.414281  1
  Mg  Mg95  1  0.593857  0.926627  0.397852  1
  Mg  Mg96  1  0.260523  0.926627  0.397852  1
  Mg  Mg97  1  0.884545  0.282752  0.435447  1
  Mg  Mg98  1  0.551212  0.282752  0.435447  1
  Mg  Mg99  1  0.471496  0.790916  0.418857  1
  Mg  Mg100  1  0.217878  0.282752  0.435447  1
  Mg  Mg101  1  0.138163  0.790916  0.418857  1
  Mg  Mg102  1  0.804830  0.790916  0.418857  1
  Mg  Mg103  1  0.349488  0.655581  0.439654  1
  Mg  Mg104  1  0.016155  0.655581  0.439654  1
  Mg  Mg105  1  0.937194  0.163950  0.423032  1
  Mg  Mg106  1  0.682821  0.655581  0.439654  1
  Mg  Mg107  1  0.603861  0.163950  0.423032  1
  Mg  Mg108  1  0.270528  0.163950  0.423032  1
  Mg  Mg109  1  0.178054  0.536836  0.427169  1
  Mg  Mg110  1  0.844720  0.536836  0.427169  1
  Mg  Mg111  1  0.590527  0.028622  0.443827  1
  Mg  Mg112  1  0.511387  0.536836  0.427169  1
  Mg  Mg113  1  0.257194  0.028622  0.443827  1
  Mg  Mg114  1  0.923860  0.028622  0.443827  1
  Mg  Mg115  1  0.165036  0.401566  0.447939  1
  Mg  Mg116  1  0.831703  0.401566  0.447939  1
  Mg  Mg117  1  0.752248  0.909856  0.431295  1
  Mg  Mg118  1  0.498370  0.401566  0.447939  1
  Mg  Mg119  1  0.418915  0.909856  0.431295  1
  Mg  Mg120  1  0.085582  0.909856  0.431295  1
  Mg  Mg121  1  0.709499  0.266095  0.469008  1
  Mg  Mg122  1  0.376166  0.266095  0.469008  1
  Mg  Mg123  1  0.296690  0.774368  0.452341  1
  Mg  Mg124  1  0.042833  0.266095  0.469008  1
  Mg  Mg125  1  0.963357  0.774368  0.452341  1
  Mg  Mg126  1  0.630023  0.774368  0.452341  1
  Mg  Mg127  1  0.174616  0.638953  0.473251  1
  Mg  Mg128  1  0.841283  0.638953  0.473251  1
  Mg  Mg129  1  0.762155  0.147288  0.456454  1
  Mg  Mg130  1  0.507949  0.638953  0.473251  1
  Mg  Mg131  1  0.428822  0.147288  0.456454  1
  Mg  Mg132  1  0.095488  0.147288  0.456454  1
  Mg  Mg133  1  1.003169  0.520199  0.460606  1
  Mg  Mg134  1  0.669836  0.520199  0.460606  1
  Mg  Mg135  1  0.415515  0.011919  0.477347  1
  Mg  Mg136  1  0.336503  0.520199  0.460606  1
  Mg  Mg137  1  0.082182  0.011919  0.477347  1
  Mg  Mg138  1  0.748849  0.011919  0.477347  1
  Mg  Mg139  1  0.990050  0.384860  0.481461  1
  Mg  Mg140  1  0.656717  0.384860  0.481461  1
  Mg  Mg141  1  0.577263  0.893132  0.464834  1
  Mg  Mg142  1  0.323383  0.384860  0.481461  1
  Mg  Mg143  1  0.243930  0.893132  0.464834  1
  Mg  Mg144  1  0.910596  0.893132  0.464834  1
  Mg  Mg145  1  0.534400  0.249395  0.502507  1
  Mg  Mg146  1  0.201067  0.249395  0.502507  1
  Mg  Mg147  1  0.121728  0.757640  0.485850  1
  Mg  Mg148  1  0.867734  0.249395  0.502507  1
  Mg  Mg149  1  0.788395  0.757640  0.485850  1
  Mg  Mg150  1  0.455061  0.757640  0.485850  1
  Mg  Mg151  1  0.999723  0.622246  0.506753  1
  Mg  Mg152  1  0.666389  0.622246  0.506753  1
  Mg  Mg153  1  0.587100  0.130619  0.490015  1
  Mg  Mg154  1  0.333056  0.622246  0.506753  1
  Mg  Mg155  1  0.253767  0.130619  0.490015  1
  Mg  Mg156  1  0.920433  0.130619  0.490015  1
  Mg  Mg157  1  0.828234  0.503552  0.494186  1
  Mg  Mg158  1  0.494900  0.503552  0.494186  1
  Mg  Mg159  1  0.240502  0.995221  0.510880  1
  Mg  Mg160  1  0.161567  0.503552  0.494186  1
  Mg  Mg161  1  0.907168  0.995221  0.510880  1
  Mg  Mg162  1  0.573835  0.995221  0.510880  1
  Mg  Mg163  1  0.815071  0.368210  0.515023  1
  Mg  Mg164  1  0.481738  0.368210  0.515023  1
  Mg  Mg165  1  0.402310  0.876461  0.498358  1
  Mg  Mg166  1  0.148404  0.368210  0.515023  1
  Mg  Mg167  1  0.068977  0.876461  0.498358  1
  Mg  Mg168  1  0.735643  0.876461  0.498358  1
  Mg  Mg169  1  0.359341  0.232726  0.536027  1
  Mg  Mg170  1  0.026007  0.232726  0.536027  1
  Mg  Mg171  1  0.946831  0.740974  0.519406  1
  Mg  Mg172  1  0.692674  0.232726  0.536027  1
  Mg  Mg173  1  0.613498  0.740974  0.519406  1
  Mg  Mg174  1  0.280165  0.740974  0.519406  1
  Mg  Mg175  1  0.824879  0.605604  0.540342  1
  Mg  Mg176  1  0.491545  0.605604  0.540342  1
  Mg  Mg177  1  0.412048  0.113926  0.523548  1
  Mg  Mg178  1  0.158212  0.605604  0.540342  1
  Mg  Mg179  1  0.078715  0.113926  0.523548  1
  Mg  Mg180  1  0.745381  0.113926  0.523548  1
  Mg  Mg181  1  0.653317  0.486852  0.527689  1
  Mg  Mg182  1  0.319984  0.486852  0.527689  1
  Mg  Mg183  1  0.065477  0.978540  0.544431  1
  Mg  Mg184  1  0.986651  0.486852  0.527689  1
  Mg  Mg185  1  0.732144  0.978540  0.544431  1
  Mg  Mg186  1  0.398811  0.978540  0.544431  1
  Mg  Mg187  1  0.640058  0.351490  0.548542  1
  Mg  Mg188  1  0.306724  0.351490  0.548542  1
  Mg  Mg189  1  0.227325  0.859747  0.531861  1
  Mg  Mg190  1  0.973391  0.351490  0.548542  1
  Mg  Mg191  1  0.893992  0.859747  0.531861  1
  Mg  Mg192  1  0.560659  0.859747  0.531861  1
  Mg  Mg193  1  0.184245  0.216054  0.569564  1
  Mg  Mg194  1  0.850912  0.216054  0.569564  1
  Mg  Mg195  1  0.771878  0.724268  0.552919  1
  Mg  Mg196  1  0.517578  0.216054  0.569564  1
  Mg  Mg197  1  0.438545  0.724268  0.552919  1
  Mg  Mg198  1  0.105211  0.724268  0.552919  1
  Mg  Mg199  1  0.650036  0.588919  0.573781  1
  Mg  Mg200  1  0.316703  0.588919  0.573781  1
  Mg  Mg201  1  0.237007  0.097221  0.557073  1
  Mg  Mg202  1  0.983369  0.588919  0.573781  1
  Mg  Mg203  1  0.903673  0.097221  0.557073  1
  Mg  Mg204  1  0.570340  0.097221  0.557073  1
  Mg  Mg205  1  0.478415  0.470240  0.561287  1
  Mg  Mg206  1  0.145081  0.470240  0.561287  1
  Mg  Mg207  1  0.890499  0.961896  0.577862  1
  Mg  Mg208  1  0.811748  0.470240  0.561287  1
  Mg  Mg209  1  0.557165  0.961896  0.577862  1
  Mg  Mg210  1  0.223832  0.961896  0.577862  1
  Mg  Mg211  1  0.465083  0.334955  0.582023  1
  Mg  Mg212  1  0.131750  0.334955  0.582023  1
  Mg  Mg213  1  0.052339  0.843064  0.565420  1
  Mg  Mg214  1  0.798417  0.334955  0.582023  1
  Mg  Mg215  1  0.719006  0.843064  0.565420  1
  Mg  Mg216  1  0.385672  0.843064  0.565420  1
  Mg  Mg217  1  0.009089  0.199215  0.602990  1
  Mg  Mg218  1  0.675755  0.199215  0.602990  1
  Mg  Mg219  1  0.596977  0.707589  0.586575  1
  Mg  Mg220  1  0.342422  0.199215  0.602990  1
  Mg  Mg221  1  0.263643  0.707589  0.586575  1
  Mg  Mg222  1  0.930310  0.707589  0.586575  1
  Mg  Mg223  1  0.475250  0.572274  0.607452  1
  Mg  Mg224  1  0.141917  0.572274  0.607452  1
  Mg  Mg225  1  0.062084  0.080523  0.590713  1
  Mg  Mg226  1  0.808583  0.572274  0.607452  1
  Mg  Mg227  1  0.728751  0.080523  0.590713  1
  Mg  Mg228  1  0.395417  0.080523  0.590713  1
  Mg  Mg229  1  0.303497  0.453389  0.594787  1
  Mg  Mg230  1  0.970164  0.453389  0.594787  1
  Mg  Mg231  1  0.715393  0.945119  0.611481  1
  Mg  Mg232  1  0.636830  0.453389  0.594787  1
  Mg  Mg233  1  0.382059  0.945119  0.611481  1
  Mg  Mg234  1  0.048726  0.945119  0.611481  1
  Mg  Mg235  1  0.290126  0.318151  0.615603  1
  Mg  Mg236  1  0.956793  0.318151  0.615603  1
  Mg  Mg237  1  0.877279  0.826291  0.598864  1
  Mg  Mg238  1  0.623459  0.318151  0.615603  1
  Mg  Mg239  1  0.543946  0.826291  0.598864  1
  Mg  Mg240  1  0.210612  0.826291  0.598864  1
  Mg  Mg241  1  0.834274  0.182855  0.636599  1
  Mg  Mg242  1  0.500941  0.182855  0.636599  1
  Mg  Mg243  1  0.421933  0.690868  0.620060  1
  Mg  Mg244  1  0.167607  0.182855  0.636599  1
  Mg  Mg245  1  0.088600  0.690868  0.620060  1
  Mg  Mg246  1  0.755267  0.690868  0.620060  1
  Mg  Mg247  1  0.300663  0.555509  0.640502  1
  Mg  Mg248  1  0.967330  0.555509  0.640502  1
  Mg  Mg249  1  0.887133  0.063779  0.624232  1
  Mg  Mg250  1  0.633997  0.555509  0.640502  1
  Mg  Mg251  1  0.553800  0.063779  0.624232  1
  Mg  Mg252  1  0.220466  0.063779  0.624232  1
  Mg  Mg253  1  0.128743  0.437161  0.628515  1
  Mg  Mg254  1  0.795410  0.437161  0.628515  1
  Mg  Mg255  1  0.540286  0.928482  0.644535  1
  Mg  Mg256  1  0.462077  0.437161  0.628515  1
  Mg  Mg257  1  0.206953  0.928482  0.644535  1
  Mg  Mg258  1  0.873620  0.928482  0.644535  1
  Mg  Mg259  1  0.114755  0.301428  0.648593  1
  Mg  Mg260  1  0.781422  0.301428  0.648593  1
  Mg  Mg261  1  0.702313  0.809861  0.632494  1
  Mg  Mg262  1  0.448089  0.301428  0.648593  1
  Mg  Mg263  1  0.368979  0.809861  0.632494  1
  Mg  Mg264  1  0.035646  0.809861  0.632494  1
  Mg  Mg265  1  0.658872  0.165577  0.669832  1
  Mg  Mg266  1  0.325538  0.165577  0.669832  1
  Mg  Mg267  1  0.247070  0.673816  0.653787  1
  Mg  Mg268  1  0.992205  0.165577  0.669832  1
  Mg  Mg269  1  0.913736  0.673816  0.653787  1
  Mg  Mg270  1  0.580403  0.673816  0.653787  1
  Mg  Mg271  1  0.125778  0.539565  0.674681  1
  Mg  Mg272  1  0.792444  0.539565  0.674681  1
  Mg  Mg273  1  0.712711  0.046752  0.657877  1
  Mg  Mg274  1  0.459111  0.539565  0.674681  1
  Mg  Mg275  1  0.379377  0.046752  0.657877  1
  Mg  Mg276  1  0.046044  0.046752  0.657877  1
  Mg  Mg277  1  0.953532  0.419582  0.661893  1
  Mg  Mg278  1  0.620199  0.419582  0.661893  1
  Mg  Mg279  1  0.365935  0.912588  0.678663  1
  Mg  Mg280  1  0.286866  0.419582  0.661893  1
  Mg  Mg281  1  0.032602  0.912588  0.678663  1
  Mg  Mg282  1  0.699269  0.912588  0.678663  1
  Mg  Mg283  1  0.940275  0.285241  0.682748  1
  Mg  Mg284  1  0.606941  0.285241  0.682748  1
  Mg  Mg285  1  0.526969  0.792601  0.665678  1
  Mg  Mg286  1  0.273608  0.285241  0.682748  1
  Mg  Mg287  1  0.193636  0.792601  0.665678  1
  Mg  Mg288  1  0.860303  0.792601  0.665678  1
  Mg  Mg289  1  0.484446  0.149268  0.702353  1
  Mg  Mg290  1  0.151113  0.149268  0.702353  1
  Mg  Mg291  1  0.071521  0.657927  0.686888  1
  Mg  Mg292  1  0.817779  0.149268  0.702353  1
  Mg  Mg293  1  0.738188  0.657927  0.686888  1
  Mg  Mg294  1  0.404855  0.657927  0.686888  1
  Mg  Mg295  1  0.949310  0.521771  0.705329  1
  Mg  Mg296  1  0.615977  0.521771  0.705329  1
  Mg  Mg297  1  0.538968  0.030573  0.691082  1
  Mg  Mg298  1  0.282643  0.521771  0.705329  1
  Mg  Mg299  1  0.205635  0.030573  0.691082  1
  Mg  Mg300  1  0.872301  0.030573  0.691082  1
  Mg  Mg301  1  0.779238  0.403330  0.695006  1
  Mg  Mg302  1  0.445905  0.403330  0.695006  1
  Mg  Mg303  1  0.190227  0.893970  0.709311  1
  Mg  Mg304  1  0.112572  0.403330  0.695006  1
  Mg  Mg305  1  0.856894  0.893970  0.709311  1
  Mg  Mg306  1  0.523561  0.893970  0.709311  1
  Mg  Mg307  1  0.765699  0.267100  0.713330  1
  Mg  Mg308  1  0.432366  0.267100  0.713330  1
  Mg  Mg309  1  0.352283  0.777035  0.698305  1
  Mg  Mg310  1  0.099032  0.267100  0.713330  1
  Mg  Mg311  1  0.018949  0.777035  0.698305  1
  Mg  Mg312  1  0.685616  0.777035  0.698305  1
