# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.46311837
_cell_length_b   22.81553560
_cell_length_c   46.64340924
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.24514061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   16329.2770174
_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  0.583953  0.349148  0.301912  1
  Mg  Mg2  1  0.250619  0.349148  0.301912  1
  Mg  Mg3  1  0.177071  0.860831  0.287380  1
  Mg  Mg4  1  0.917286  0.349148  0.301912  1
  Mg  Mg5  1  0.843738  0.860831  0.287380  1
  Mg  Mg6  1  0.510405  0.860831  0.287380  1
  Mg  Mg7  1  0.053896  0.721346  0.305640  1
  Mg  Mg8  1  0.720563  0.721346  0.305640  1
  Mg  Mg9  1  0.639563  0.230817  0.291641  1
  Mg  Mg10  1  0.387229  0.721346  0.305640  1
  Mg  Mg11  1  0.306229  0.230817  0.291641  1
  Mg  Mg12  1  0.972896  0.230817  0.291641  1
  Mg  Mg13  1  0.874700  0.605694  0.295395  1
  Mg  Mg14  1  0.541367  0.605694  0.295395  1
  Mg  Mg15  1  0.290698  0.092497  0.309650  1
  Mg  Mg16  1  0.208034  0.605694  0.295395  1
  Mg  Mg17  1  0.957365  0.092497  0.309650  1
  Mg  Mg18  1  0.624032  0.092497  0.309650  1
  Mg  Mg19  1  0.858392  0.466588  0.313571  1
  Mg  Mg20  1  0.525059  0.466588  0.313571  1
  Mg  Mg21  1  0.446600  0.975726  0.297945  1
  Mg  Mg22  1  0.191726  0.466588  0.313571  1
  Mg  Mg23  1  0.113266  0.975726  0.297945  1
  Mg  Mg24  1  0.779933  0.975726  0.297945  1
  Mg  Mg25  1  0.409503  0.331720  0.335795  1
  Mg  Mg26  1  0.076170  0.331720  0.335795  1
  Mg  Mg27  1  0.996895  0.838307  0.318663  1
  Mg  Mg28  1  0.742836  0.331720  0.335795  1
  Mg  Mg29  1  0.663562  0.838307  0.318663  1
  Mg  Mg30  1  0.330228  0.838307  0.318663  1
  Mg  Mg31  1  0.876065  0.706091  0.339684  1
  Mg  Mg32  1  0.542732  0.706091  0.339684  1
  Mg  Mg33  1  0.464124  0.211807  0.322966  1
  Mg  Mg34  1  0.209399  0.706091  0.339684  1
  Mg  Mg35  1  0.130791  0.211807  0.322966  1
  Mg  Mg36  1  0.797458  0.211807  0.322966  1
  Mg  Mg37  1  0.699552  0.584331  0.326823  1
  Mg  Mg38  1  0.366219  0.584331  0.326823  1
  Mg  Mg39  1  0.117560  0.078901  0.343536  1
  Mg  Mg40  1  0.032885  0.584331  0.326823  1
  Mg  Mg41  1  0.784226  0.078901  0.343536  1
  Mg  Mg42  1  0.450893  0.078901  0.343536  1
  Mg  Mg43  1  0.686914  0.451276  0.347297  1
  Mg  Mg44  1  0.353581  0.451276  0.347297  1
  Mg  Mg45  1  0.275126  0.959324  0.332241  1
  Mg  Mg46  1  0.020248  0.451276  0.347297  1
  Mg  Mg47  1  0.941793  0.959324  0.332241  1
  Mg  Mg48  1  0.608459  0.959324  0.332241  1
  Mg  Mg49  1  0.234200  0.315198  0.367999  1
  Mg  Mg50  1  0.900867  0.315198  0.367999  1
  Mg  Mg51  1  0.821628  0.824401  0.352466  1
  Mg  Mg52  1  0.567534  0.315198  0.367999  1
  Mg  Mg53  1  0.488295  0.824401  0.352466  1
  Mg  Mg54  1  0.154962  0.824401  0.352466  1
  Mg  Mg55  1  0.700286  0.688432  0.371988  1
  Mg  Mg56  1  0.366953  0.688432  0.371988  1
  Mg  Mg57  1  0.289662  0.196755  0.356614  1
  Mg  Mg58  1  0.033620  0.688432  0.371988  1
  Mg  Mg59  1  0.956328  0.196755  0.356614  1
  Mg  Mg60  1  0.622995  0.196755  0.356614  1
  Mg  Mg61  1  0.527404  0.570016  0.360468  1
  Mg  Mg62  1  0.194071  0.570016  0.360468  1
  Mg  Mg63  1  0.941225  0.061681  0.376613  1
  Mg  Mg64  1  0.860737  0.570016  0.360468  1
  Mg  Mg65  1  0.607892  0.061681  0.376613  1
  Mg  Mg66  1  0.274559  0.061681  0.376613  1
  Mg  Mg67  1  0.513544  0.434666  0.380368  1
  Mg  Mg68  1  0.180210  0.434666  0.380368  1
  Mg  Mg69  1  0.100738  0.942612  0.364028  1
  Mg  Mg70  1  0.846877  0.434666  0.380368  1
  Mg  Mg71  1  0.767404  0.942612  0.364028  1
  Mg  Mg72  1  0.434071  0.942612  0.364028  1
  Mg  Mg73  1  0.059554  0.298940  0.401770  1
  Mg  Mg74  1  0.726220  0.298940  0.401770  1
  Mg  Mg75  1  0.646845  0.807391  0.385065  1
  Mg  Mg76  1  0.392887  0.298940  0.401770  1
  Mg  Mg77  1  0.313511  0.807391  0.385065  1
  Mg  Mg78  1  0.980178  0.807391  0.385065  1
  Mg  Mg79  1  0.524581  0.671742  0.405796  1
  Mg  Mg80  1  0.191247  0.671742  0.405796  1
  Mg  Mg81  1  0.113288  0.180144  0.389224  1
  Mg  Mg82  1  0.857914  0.671742  0.405796  1
  Mg  Mg83  1  0.779955  0.180144  0.389224  1
  Mg  Mg84  1  0.446621  0.180144  0.389224  1
  Mg  Mg85  1  0.352486  0.553138  0.393166  1
  Mg  Mg86  1  0.019153  0.553138  0.393166  1
  Mg  Mg87  1  0.765866  0.044626  0.410085  1
  Mg  Mg88  1  0.685820  0.553138  0.393166  1
  Mg  Mg89  1  0.432532  0.044626  0.410085  1
  Mg  Mg90  1  0.099199  0.044626  0.410085  1
  Mg  Mg91  1  0.339011  0.417489  0.413912  1
  Mg  Mg92  1  0.005678  0.417489  0.413912  1
  Mg  Mg93  1  0.926848  0.925914  0.397826  1
  Mg  Mg94  1  0.672344  0.417489  0.413912  1
  Mg  Mg95  1  0.593515  0.925914  0.397826  1
  Mg  Mg96  1  0.260182  0.925914  0.397826  1
  Mg  Mg97  1  0.884326  0.282104  0.435058  1
  Mg  Mg98  1  0.550993  0.282104  0.435058  1
  Mg  Mg99  1  0.471462  0.790186  0.418572  1
  Mg  Mg100  1  0.217659  0.282104  0.435058  1
  Mg  Mg101  1  0.138129  0.790186  0.418572  1
  Mg  Mg102  1  0.804796  0.790186  0.418572  1
  Mg  Mg103  1  0.349166  0.654878  0.439130  1
  Mg  Mg104  1  0.015832  0.654878  0.439130  1
  Mg  Mg105  1  0.937479  0.163316  0.422863  1
  Mg  Mg106  1  0.682499  0.654878  0.439130  1
  Mg  Mg107  1  0.604145  0.163316  0.422863  1
  Mg  Mg108  1  0.270812  0.163316  0.422863  1
  Mg  Mg109  1  0.177443  0.536084  0.426787  1
  Mg  Mg110  1  0.844110  0.536084  0.426787  1
  Mg  Mg111  1  0.590666  0.027928  0.443551  1
  Mg  Mg112  1  0.510776  0.536084  0.426787  1
  Mg  Mg113  1  0.257333  0.027928  0.443551  1
  Mg  Mg114  1  0.924000  0.027928  0.443551  1
  Mg  Mg115  1  0.164586  0.400859  0.447465  1
  Mg  Mg116  1  0.831253  0.400859  0.447465  1
  Mg  Mg117  1  0.752307  0.909182  0.430993  1
  Mg  Mg118  1  0.497920  0.400859  0.447465  1
  Mg  Mg119  1  0.418974  0.909182  0.430993  1
  Mg  Mg120  1  0.085640  0.909182  0.430993  1
  Mg  Mg121  1  0.709218  0.265292  0.468649  1
  Mg  Mg122  1  0.375885  0.265292  0.468649  1
  Mg  Mg123  1  0.296600  0.773600  0.451921  1
  Mg  Mg124  1  0.042551  0.265292  0.468649  1
  Mg  Mg125  1  0.963267  0.773600  0.451921  1
  Mg  Mg126  1  0.629933  0.773600  0.451921  1
  Mg  Mg127  1  0.174059  0.638108  0.472742  1
  Mg  Mg128  1  0.840726  0.638108  0.472742  1
  Mg  Mg129  1  0.762042  0.146535  0.456157  1
  Mg  Mg130  1  0.507392  0.638108  0.472742  1
  Mg  Mg131  1  0.428709  0.146535  0.456157  1
  Mg  Mg132  1  0.095375  0.146535  0.456157  1
  Mg  Mg133  1  1.002618  0.519392  0.460124  1
  Mg  Mg134  1  0.669284  0.519392  0.460124  1
  Mg  Mg135  1  0.415496  0.011049  0.477055  1
  Mg  Mg136  1  0.335951  0.519392  0.460124  1
  Mg  Mg137  1  0.082163  0.011049  0.477055  1
  Mg  Mg138  1  0.748830  0.011049  0.477055  1
  Mg  Mg139  1  0.989679  0.383991  0.481008  1
  Mg  Mg140  1  0.656345  0.383991  0.481008  1
  Mg  Mg141  1  0.577379  0.892275  0.464533  1
  Mg  Mg142  1  0.323012  0.383991  0.481008  1
  Mg  Mg143  1  0.244046  0.892275  0.464533  1
  Mg  Mg144  1  0.910713  0.892275  0.464533  1
  Mg  Mg145  1  0.534035  0.248477  0.502094  1
  Mg  Mg146  1  0.200702  0.248477  0.502094  1
  Mg  Mg147  1  0.121498  0.756714  0.485413  1
  Mg  Mg148  1  0.867368  0.248477  0.502094  1
  Mg  Mg149  1  0.788165  0.756714  0.485413  1
  Mg  Mg150  1  0.454832  0.756714  0.485413  1
  Mg  Mg151  1  0.999059  0.621314  0.506148  1
  Mg  Mg152  1  0.665725  0.621314  0.506148  1
  Mg  Mg153  1  0.586759  0.129722  0.489713  1
  Mg  Mg154  1  0.332392  0.621314  0.506148  1
  Mg  Mg155  1  0.253426  0.129722  0.489713  1
  Mg  Mg156  1  0.920092  0.129722  0.489713  1
  Mg  Mg157  1  0.827631  0.502611  0.493704  1
  Mg  Mg158  1  0.494298  0.502611  0.493704  1
  Mg  Mg159  1  0.240438  0.994294  0.510478  1
  Mg  Mg160  1  0.160964  0.502611  0.493704  1
  Mg  Mg161  1  0.907105  0.994294  0.510478  1
  Mg  Mg162  1  0.573772  0.994294  0.510478  1
  Mg  Mg163  1  0.814669  0.367263  0.514501  1
  Mg  Mg164  1  0.481336  0.367263  0.514501  1
  Mg  Mg165  1  0.402432  0.875530  0.497954  1
  Mg  Mg166  1  0.148003  0.367263  0.514501  1
  Mg  Mg167  1  0.069099  0.875530  0.497954  1
  Mg  Mg168  1  0.735765  0.875530  0.497954  1
  Mg  Mg169  1  0.358909  0.231706  0.535568  1
  Mg  Mg170  1  0.025576  0.231706  0.535568  1
  Mg  Mg171  1  0.946568  0.740001  0.518855  1
  Mg  Mg172  1  0.692243  0.231706  0.535568  1
  Mg  Mg173  1  0.613235  0.740001  0.518855  1
  Mg  Mg174  1  0.279902  0.740001  0.518855  1
  Mg  Mg175  1  0.824214  0.604555  0.539714  1
  Mg  Mg176  1  0.490880  0.604555  0.539714  1
  Mg  Mg177  1  0.411691  0.112937  0.523159  1
  Mg  Mg178  1  0.157547  0.604555  0.539714  1
  Mg  Mg179  1  0.078358  0.112937  0.523159  1
  Mg  Mg180  1  0.745025  0.112937  0.523159  1
  Mg  Mg181  1  0.652652  0.485829  0.527125  1
  Mg  Mg182  1  0.319319  0.485829  0.527125  1
  Mg  Mg183  1  0.065370  0.977451  0.544012  1
  Mg  Mg184  1  0.985985  0.485829  0.527125  1
  Mg  Mg185  1  0.732037  0.977451  0.544012  1
  Mg  Mg186  1  0.398703  0.977451  0.544012  1
  Mg  Mg187  1  0.639395  0.350383  0.548020  1
  Mg  Mg188  1  0.306062  0.350383  0.548020  1
  Mg  Mg189  1  0.227324  0.858730  0.531357  1
  Mg  Mg190  1  0.972729  0.350383  0.548020  1
  Mg  Mg191  1  0.893991  0.858730  0.531357  1
  Mg  Mg192  1  0.560658  0.858730  0.531357  1
  Mg  Mg193  1  0.183710  0.214885  0.569127  1
  Mg  Mg194  1  0.850377  0.214885  0.569127  1
  Mg  Mg195  1  0.771530  0.723133  0.552360  1
  Mg  Mg196  1  0.517044  0.214885  0.569127  1
  Mg  Mg197  1  0.438197  0.723133  0.552360  1
  Mg  Mg198  1  0.104864  0.723133  0.552360  1
  Mg  Mg199  1  0.649493  0.587726  0.573030  1
  Mg  Mg200  1  0.316160  0.587726  0.573030  1
  Mg  Mg201  1  0.236718  0.096071  0.556694  1
  Mg  Mg202  1  0.982827  0.587726  0.573030  1
  Mg  Mg203  1  0.903385  0.096071  0.556694  1
  Mg  Mg204  1  0.570052  0.096071  0.556694  1
  Mg  Mg205  1  0.477524  0.469039  0.560726  1
  Mg  Mg206  1  0.144190  0.469039  0.560726  1
  Mg  Mg207  1  0.890451  0.960781  0.577321  1
  Mg  Mg208  1  0.810857  0.469039  0.560726  1
  Mg  Mg209  1  0.557118  0.960781  0.577321  1
  Mg  Mg210  1  0.223784  0.960781  0.577321  1
  Mg  Mg211  1  0.464021  0.333846  0.581426  1
  Mg  Mg212  1  0.130688  0.333846  0.581426  1
  Mg  Mg213  1  0.052083  0.841913  0.564926  1
  Mg  Mg214  1  0.797354  0.333846  0.581426  1
  Mg  Mg215  1  0.718750  0.841913  0.564926  1
  Mg  Mg216  1  0.385417  0.841913  0.564926  1
  Mg  Mg217  1  0.008462  0.197915  0.602385  1
  Mg  Mg218  1  0.675129  0.197915  0.602385  1
  Mg  Mg219  1  0.596726  0.706438  0.585819  1
  Mg  Mg220  1  0.341795  0.197915  0.602385  1
  Mg  Mg221  1  0.263392  0.706438  0.585819  1
  Mg  Mg222  1  0.930059  0.706438  0.585819  1
  Mg  Mg223  1  0.475124  0.570925  0.606630  1
  Mg  Mg224  1  0.141791  0.570925  0.606630  1
  Mg  Mg225  1  0.062235  0.079347  0.590211  1
  Mg  Mg226  1  0.808458  0.570925  0.606630  1
  Mg  Mg227  1  0.728902  0.079347  0.590211  1
  Mg  Mg228  1  0.395568  0.079347  0.590211  1
  Mg  Mg229  1  0.302393  0.452153  0.594114  1
  Mg  Mg230  1  0.969060  0.452153  0.594114  1
  Mg  Mg231  1  0.715312  0.943661  0.610935  1
  Mg  Mg232  1  0.635726  0.452153  0.594114  1
  Mg  Mg233  1  0.381979  0.943661  0.610935  1
  Mg  Mg234  1  0.048646  0.943661  0.610935  1
  Mg  Mg235  1  0.288273  0.316735  0.614944  1
  Mg  Mg236  1  0.954939  0.316735  0.614944  1
  Mg  Mg237  1  0.876585  0.825143  0.598110  1
  Mg  Mg238  1  0.621606  0.316735  0.614944  1
  Mg  Mg239  1  0.543252  0.825143  0.598110  1
  Mg  Mg240  1  0.209919  0.825143  0.598110  1
  Mg  Mg241  1  0.833672  0.181538  0.636123  1
  Mg  Mg242  1  0.500339  0.181538  0.636123  1
  Mg  Mg243  1  0.421590  0.689204  0.619294  1
  Mg  Mg244  1  0.167005  0.181538  0.636123  1
  Mg  Mg245  1  0.088257  0.689204  0.619294  1
  Mg  Mg246  1  0.754924  0.689204  0.619294  1
  Mg  Mg247  1  0.301393  0.553941  0.639390  1
  Mg  Mg248  1  0.968059  0.553941  0.639390  1
  Mg  Mg249  1  0.887701  0.062232  0.623759  1
  Mg  Mg250  1  0.634726  0.553941  0.639390  1
  Mg  Mg251  1  0.554368  0.062232  0.623759  1
  Mg  Mg252  1  0.221034  0.062232  0.623759  1
  Mg  Mg253  1  0.127057  0.435884  0.627913  1
  Mg  Mg254  1  0.793724  0.435884  0.627913  1
  Mg  Mg255  1  0.540322  0.926988  0.643555  1
  Mg  Mg256  1  0.460390  0.435884  0.627913  1
  Mg  Mg257  1  0.206989  0.926988  0.643555  1
  Mg  Mg258  1  0.873655  0.926988  0.643555  1
  Mg  Mg259  1  0.111889  0.300164  0.647528  1
  Mg  Mg260  1  0.778556  0.300164  0.647528  1
  Mg  Mg261  1  0.700626  0.808411  0.631865  1
  Mg  Mg262  1  0.445222  0.300164  0.647528  1
  Mg  Mg263  1  0.367293  0.808411  0.631865  1
  Mg  Mg264  1  0.033960  0.808411  0.631865  1
  Mg  Mg265  1  0.658412  0.165056  0.668364  1
  Mg  Mg266  1  0.325079  0.165056  0.668364  1
  Mg  Mg267  1  0.247419  0.672047  0.652350  1
  Mg  Mg268  1  0.991746  0.165056  0.668364  1
  Mg  Mg269  1  0.914086  0.672047  0.652350  1
  Mg  Mg270  1  0.580752  0.672047  0.652350  1
  Mg  Mg271  1  0.127382  0.539163  0.672949  1
  Mg  Mg272  1  0.794048  0.539163  0.672949  1
  Mg  Mg273  1  0.714261  0.045425  0.656816  1
  Mg  Mg274  1  0.460715  0.539163  0.672949  1
  Mg  Mg275  1  0.380928  0.045425  0.656816  1
  Mg  Mg276  1  0.047595  0.045425  0.656816  1
  Mg  Mg277  1  0.951110  0.418040  0.660562  1
  Mg  Mg278  1  0.617777  0.418040  0.660562  1
  Mg  Mg279  1  0.368005  0.912289  0.677245  1
  Mg  Mg280  1  0.284444  0.418040  0.660562  1
  Mg  Mg281  1  0.034671  0.912289  0.677245  1
  Mg  Mg282  1  0.701338  0.912289  0.677245  1
  Mg  Mg283  1  0.936671  0.284674  0.681154  1
  Mg  Mg284  1  0.603338  0.284674  0.681154  1
  Mg  Mg285  1  0.524824  0.791652  0.663652  1
  Mg  Mg286  1  0.270005  0.284674  0.681154  1
  Mg  Mg287  1  0.191491  0.791652  0.663652  1
  Mg  Mg288  1  0.858157  0.791652  0.663652  1
  Mg  Mg289  1  0.483802  0.147297  0.702228  1
  Mg  Mg290  1  0.150469  0.147297  0.702228  1
  Mg  Mg291  1  0.073529  0.658467  0.686276  1
  Mg  Mg292  1  0.817135  0.147297  0.702228  1
  Mg  Mg293  1  0.740195  0.658467  0.686276  1
  Mg  Mg294  1  0.406862  0.658467  0.686276  1
  Mg  Mg295  1  0.950522  0.519876  0.704508  1
  Mg  Mg296  1  0.617189  0.519876  0.704508  1
  Mg  Mg297  1  0.542725  0.029830  0.690563  1
  Mg  Mg298  1  0.283855  0.519876  0.704508  1
  Mg  Mg299  1  0.209391  0.029830  0.690563  1
  Mg  Mg300  1  0.876058  0.029830  0.690563  1
  Mg  Mg301  1  0.775930  0.402667  0.694192  1
  Mg  Mg302  1  0.442596  0.402667  0.694192  1
  Mg  Mg303  1  0.192366  0.890112  0.708567  1
  Mg  Mg304  1  0.109263  0.402667  0.694192  1
  Mg  Mg305  1  0.859033  0.890112  0.708567  1
  Mg  Mg306  1  0.525700  0.890112  0.708567  1
  Mg  Mg307  1  0.761667  0.265741  0.712569  1
  Mg  Mg308  1  0.428334  0.265741  0.712569  1
  Mg  Mg309  1  0.346496  0.775111  0.697968  1
  Mg  Mg310  1  0.095001  0.265741  0.712569  1
  Mg  Mg311  1  0.013163  0.775111  0.697968  1
  Mg  Mg312  1  0.679830  0.775111  0.697968  1
