# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.95199422
_cell_length_b   17.76334118
_cell_length_c   20.77648066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.94827557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg239
_cell_volume   5494.30367915
_cell_formula_units_Z   239
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  0.000104  0.000115  0.000264  1
  Mg  Mg2  1  0.000512  0.000396  0.499135  1
  Mg  Mg3  1  0.833531  0.166695  0.000231  1
  Mg  Mg4  1  0.831717  0.167526  0.501040  1
  Mg  Mg5  1  0.666723  0.333446  1.000007  1
  Mg  Mg6  1  0.666509  0.333646  0.500096  1
  Mg  Mg7  1  0.500068  0.500120  1.000076  1
  Mg  Mg8  1  0.500078  0.500137  0.500080  1
  Mg  Mg9  1  0.333391  0.666760  1.000009  1
  Mg  Mg10  1  0.333574  0.666563  0.500092  1
  Mg  Mg11  1  0.166666  0.833537  0.000239  1
  Mg  Mg12  1  0.167328  0.831853  0.501034  1
  Mg  Mg13  1  0.199979  0.000115  0.000263  1
  Mg  Mg14  1  0.199334  0.000405  0.499137  1
  Mg  Mg15  1  0.033417  0.166671  0.000259  1
  Mg  Mg16  1  0.033651  0.166060  0.499138  1
  Mg  Mg17  1  0.866802  0.333409  0.000089  1
  Mg  Mg18  1  0.866965  0.332868  0.499888  1
  Mg  Mg19  1  0.700097  0.500109  0.000126  1
  Mg  Mg20  1  0.700159  0.500028  0.500050  1
  Mg  Mg21  1  0.533393  0.666814  0.000131  1
  Mg  Mg22  1  0.533296  0.666899  0.500047  1
  Mg  Mg23  1  0.366716  0.833500  0.000095  1
  Mg  Mg24  1  0.366128  0.833742  0.499880  1
  Mg  Mg25  1  0.400035  1.000041  0.000093  1
  Mg  Mg26  1  0.399478  0.000370  0.499883  1
  Mg  Mg27  1  0.233300  0.166683  0.000231  1
  Mg  Mg28  1  0.234452  0.167512  0.501040  1
  Mg  Mg29  1  0.066654  0.333385  1.000085  1
  Mg  Mg30  1  0.066915  0.332806  0.499888  1
  Mg  Mg31  1  0.900051  0.500096  0.000161  1
  Mg  Mg32  1  0.900163  0.499818  0.499979  1
  Mg  Mg33  1  0.733393  0.666792  0.000153  1
  Mg  Mg34  1  0.733399  0.666824  0.499997  1
  Mg  Mg35  1  0.566726  0.833444  0.000178  1
  Mg  Mg36  1  0.566471  0.833629  0.499956  1
  Mg  Mg37  1  0.600074  1.000064  0.000145  1
  Mg  Mg38  1  0.600039  0.000166  0.500044  1
  Mg  Mg39  1  0.433398  0.166760  1.000002  1
  Mg  Mg40  1  0.433569  0.166804  0.500097  1
  Mg  Mg41  1  0.266720  0.333422  1.000006  1
  Mg  Mg42  1  0.266797  0.333612  0.500098  1
  Mg  Mg43  1  0.100012  0.500058  0.000111  1
  Mg  Mg44  1  0.100020  0.499841  0.500061  1
  Mg  Mg45  1  0.933360  0.666791  0.000148  1
  Mg  Mg46  1  0.933426  0.666791  0.500025  1
  Mg  Mg47  1  0.766724  0.833439  0.000181  1
  Mg  Mg48  1  0.766849  0.833612  0.499954  1
  Mg  Mg49  1  0.800123  1.000041  0.000095  1
  Mg  Mg50  1  0.800426  0.000364  0.499881  1
  Mg  Mg51  1  0.633388  0.166765  1.000003  1
  Mg  Mg52  1  0.633189  0.166813  0.500097  1
  Mg  Mg53  1  0.466723  0.333446  1.000076  1
  Mg  Mg54  1  0.466718  0.333474  0.500105  1
  Mg  Mg55  1  0.300047  0.500089  1.000076  1
  Mg  Mg56  1  0.300064  0.500127  0.500093  1
  Mg  Mg57  1  0.133372  0.666731  1.000019  1
  Mg  Mg58  1  0.133357  0.666449  0.500087  1
  Mg  Mg59  1  0.966671  0.833486  0.000101  1
  Mg  Mg60  1  0.967076  0.833691  0.499873  1
  Mg  Mg61  1  0.077834  0.055634  0.875086  1
  Mg  Mg62  1  0.911699  0.221180  0.375086  1
  Mg  Mg63  1  0.911233  0.222273  0.875086  1
  Mg  Mg64  1  0.744609  0.388855  0.375086  1
  Mg  Mg65  1  0.744546  0.389001  0.875086  1
  Mg  Mg66  1  0.577852  0.555695  0.375086  1
  Mg  Mg67  1  0.577854  0.555681  0.875086  1
  Mg  Mg68  1  0.411002  0.722447  0.375086  1
  Mg  Mg69  1  0.411176  0.722353  0.875086  1
  Mg  Mg70  1  0.243268  0.889607  0.375086  1
  Mg  Mg71  1  0.244460  0.889030  0.875086  1
  Mg  Mg72  1  0.276603  0.056127  0.375086  1
  Mg  Mg73  1  0.277785  0.055615  0.875086  1
  Mg  Mg74  1  0.111538  0.221142  0.375086  1
  Mg  Mg75  1  0.111135  0.222256  0.875086  1
  Mg  Mg76  1  0.944794  0.388233  0.375086  1
  Mg  Mg77  1  0.944485  0.389020  0.875086  1
  Mg  Mg78  1  0.777952  0.555562  0.375086  1
  Mg  Mg79  1  0.777844  0.555684  0.875086  1
  Mg  Mg80  1  0.611034  0.722491  0.375086  1
  Mg  Mg81  1  0.611182  0.722340  0.875086  1
  Mg  Mg82  1  0.443736  0.889374  0.375086  1
  Mg  Mg83  1  0.444541  0.888964  0.875086  1
  Mg  Mg84  1  0.477722  0.055707  0.375086  1
  Mg  Mg85  1  0.477850  0.055603  0.875086  1
  Mg  Mg86  1  0.310939  0.222124  0.375086  1
  Mg  Mg87  1  0.311087  0.222244  0.875086  1
  Mg  Mg88  1  0.144523  0.388779  0.375086  1
  Mg  Mg89  1  0.144450  0.388966  0.875086  1
  Mg  Mg90  1  0.977841  0.555494  0.375086  1
  Mg  Mg91  1  0.977801  0.555679  0.875086  1
  Mg  Mg92  1  0.811222  0.722476  0.375086  1
  Mg  Mg93  1  0.811153  0.722342  0.875086  1
  Mg  Mg94  1  0.644468  0.889105  0.375086  1
  Mg  Mg95  1  0.644516  0.888962  0.875086  1
  Mg  Mg96  1  0.677918  0.055715  0.375086  1
  Mg  Mg97  1  0.677860  0.055609  0.875086  1
  Mg  Mg98  1  0.511170  0.222327  0.375086  1
  Mg  Mg99  1  0.511164  0.222334  0.875086  1
  Mg  Mg100  1  0.344492  0.388916  0.375086  1
  Mg  Mg101  1  0.344501  0.388972  0.875086  1
  Mg  Mg102  1  0.177814  0.555616  0.375086  1
  Mg  Mg103  1  0.177815  0.555623  0.875086  1
  Mg  Mg104  1  0.011227  0.722370  0.375086  1
  Mg  Mg105  1  0.011123  0.722349  0.875086  1
  Mg  Mg106  1  0.844968  0.889370  0.375086  1
  Mg  Mg107  1  0.844478  0.888968  0.875086  1
  Mg  Mg108  1  0.878683  0.056142  0.375086  1
  Mg  Mg109  1  0.877901  0.055628  0.875086  1
  Mg  Mg110  1  0.711541  0.222158  0.375086  1
  Mg  Mg111  1  0.711298  0.222264  0.875086  1
  Mg  Mg112  1  0.544552  0.388949  0.375086  1
  Mg  Mg113  1  0.544501  0.388997  0.875086  1
  Mg  Mg114  1  0.377778  0.555695  0.375086  1
  Mg  Mg115  1  0.377826  0.555646  0.875086  1
  Mg  Mg116  1  0.211010  0.722629  0.375086  1
  Mg  Mg117  1  0.211110  0.722417  0.875086  1
  Mg  Mg118  1  0.045205  0.889587  0.375086  1
  Mg  Mg119  1  0.044487  0.889034  0.875086  1
  Mg  Mg120  1  0.000512  0.000396  0.251036  1
  Mg  Mg121  1  0.000104  0.000115  0.749908  1
  Mg  Mg122  1  0.831717  0.167526  0.249132  1
  Mg  Mg123  1  0.833531  0.166695  0.749941  1
  Mg  Mg124  1  0.666509  0.333646  0.250076  1
  Mg  Mg125  1  0.666723  0.333446  0.750165  1
  Mg  Mg126  1  0.500078  0.500137  0.250092  1
  Mg  Mg127  1  0.500068  0.500120  0.750096  1
  Mg  Mg128  1  0.333574  0.666563  0.250080  1
  Mg  Mg129  1  0.333391  0.666760  0.750162  1
  Mg  Mg130  1  0.167328  0.831853  0.249138  1
  Mg  Mg131  1  0.166666  0.833537  0.749933  1
  Mg  Mg132  1  0.199334  0.000405  0.251035  1
  Mg  Mg133  1  0.199979  0.000115  0.749908  1
  Mg  Mg134  1  0.033651  0.166060  0.251034  1
  Mg  Mg135  1  0.033417  0.166671  0.749913  1
  Mg  Mg136  1  0.866965  0.332868  0.250283  1
  Mg  Mg137  1  0.866802  0.333409  0.750083  1
  Mg  Mg138  1  0.700159  0.500028  0.250122  1
  Mg  Mg139  1  0.700097  0.500109  0.750045  1
  Mg  Mg140  1  0.533296  0.666899  0.250125  1
  Mg  Mg141  1  0.533393  0.666814  0.750041  1
  Mg  Mg142  1  0.366128  0.833742  0.250292  1
  Mg  Mg143  1  0.366716  0.833500  0.750077  1
  Mg  Mg144  1  0.399478  0.000370  0.250289  1
  Mg  Mg145  1  0.400035  1.000041  0.750079  1
  Mg  Mg146  1  0.234452  0.167512  0.249132  1
  Mg  Mg147  1  0.233300  0.166683  0.749941  1
  Mg  Mg148  1  0.066915  0.332806  0.250284  1
  Mg  Mg149  1  0.066654  0.333385  0.750087  1
  Mg  Mg150  1  0.900163  0.499818  0.250193  1
  Mg  Mg151  1  0.900051  0.500096  0.750011  1
  Mg  Mg152  1  0.733399  0.666824  0.250175  1
  Mg  Mg153  1  0.733393  0.666792  0.750018  1
  Mg  Mg154  1  0.566471  0.833629  0.250215  1
  Mg  Mg155  1  0.566726  0.833444  0.749994  1
  Mg  Mg156  1  0.600039  0.000166  0.250128  1
  Mg  Mg157  1  0.600074  1.000064  0.750026  1
  Mg  Mg158  1  0.433569  0.166804  0.250075  1
  Mg  Mg159  1  0.433398  0.166760  0.750169  1
  Mg  Mg160  1  0.266797  0.333612  0.250074  1
  Mg  Mg161  1  0.266720  0.333422  0.750166  1
  Mg  Mg162  1  0.100020  0.499841  0.250111  1
  Mg  Mg163  1  0.100012  0.500058  0.750061  1
  Mg  Mg164  1  0.933426  0.666791  0.250147  1
  Mg  Mg165  1  0.933360  0.666791  0.750024  1
  Mg  Mg166  1  0.766849  0.833612  0.250218  1
  Mg  Mg167  1  0.766724  0.833439  0.749990  1
  Mg  Mg168  1  0.800426  0.000364  0.250291  1
  Mg  Mg169  1  0.800123  1.000041  0.750077  1
  Mg  Mg170  1  0.633189  0.166813  0.250075  1
  Mg  Mg171  1  0.633388  0.166765  0.750169  1
  Mg  Mg172  1  0.466718  0.333474  0.250067  1
  Mg  Mg173  1  0.466723  0.333446  0.750096  1
  Mg  Mg174  1  0.300064  0.500127  0.250079  1
  Mg  Mg175  1  0.300047  0.500089  0.750096  1
  Mg  Mg176  1  0.133357  0.666449  0.250085  1
  Mg  Mg177  1  0.133372  0.666731  0.750153  1
  Mg  Mg178  1  0.967076  0.833691  0.250299  1
  Mg  Mg179  1  0.966671  0.833486  0.750071  1
  Mg  Mg180  1  0.955728  0.111131  0.125624  1
  Mg  Mg181  1  0.955728  0.111131  0.624548  1
  Mg  Mg182  1  0.788864  0.278041  0.124892  1
  Mg  Mg183  1  0.788864  0.278041  0.625280  1
  Mg  Mg184  1  0.622276  0.444575  0.125074  1
  Mg  Mg185  1  0.622276  0.444575  0.625098  1
  Mg  Mg186  1  0.455630  0.611223  0.125077  1
  Mg  Mg187  1  0.455630  0.611223  0.625095  1
  Mg  Mg188  1  0.289130  0.777782  0.124899  1
  Mg  Mg189  1  0.289130  0.777782  0.625273  1
  Mg  Mg190  1  0.122235  0.944622  0.125631  1
  Mg  Mg191  1  0.122235  0.944622  0.624541  1
  Mg  Mg192  1  0.155536  0.111136  0.125624  1
  Mg  Mg193  1  0.155536  0.111136  0.624548  1
  Mg  Mg194  1  0.989003  0.277685  0.125275  1
  Mg  Mg195  1  0.989003  0.277685  0.624897  1
  Mg  Mg196  1  0.822348  0.444423  0.125210  1
  Mg  Mg197  1  0.822348  0.444423  0.624962  1
  Mg  Mg198  1  0.655617  0.611235  0.125160  1
  Mg  Mg199  1  0.655617  0.611235  0.625011  1
  Mg  Mg200  1  0.488835  0.777983  0.125225  1
  Mg  Mg201  1  0.488835  0.777983  0.624947  1
  Mg  Mg202  1  0.322115  0.944624  0.125284  1
  Mg  Mg203  1  0.322115  0.944624  0.624888  1
  Mg  Mg204  1  0.355794  0.111138  0.124890  1
  Mg  Mg205  1  0.355794  0.111138  0.625282  1
  Mg  Mg206  1  0.188891  0.278027  0.124892  1
  Mg  Mg207  1  0.188891  0.278027  0.625280  1
  Mg  Mg208  1  0.022286  0.444374  0.125199  1
  Mg  Mg209  1  0.022286  0.444374  0.624973  1
  Mg  Mg210  1  0.855627  0.611175  0.125197  1
  Mg  Mg211  1  0.855627  0.611175  0.624974  1
  Mg  Mg212  1  0.688928  0.777941  0.125234  1
  Mg  Mg213  1  0.688928  0.777941  0.624938  1
  Mg  Mg214  1  0.522175  0.944607  0.125228  1
  Mg  Mg215  1  0.522175  0.944607  0.624944  1
  Mg  Mg216  1  0.555610  0.111230  0.125059  1
  Mg  Mg217  1  0.555610  0.111230  0.625113  1
  Mg  Mg218  1  0.388946  0.277884  0.125042  1
  Mg  Mg219  1  0.388946  0.277884  0.625130  1
  Mg  Mg220  1  0.222279  0.444543  0.125069  1
  Mg  Mg221  1  0.222279  0.444543  0.625103  1
  Mg  Mg222  1  0.055597  0.611116  0.125107  1
  Mg  Mg223  1  0.055597  0.611116  0.625065  1
  Mg  Mg224  1  0.888990  0.777935  0.125239  1
  Mg  Mg225  1  0.888990  0.777935  0.624933  1
  Mg  Mg226  1  0.722345  0.944596  0.125230  1
  Mg  Mg227  1  0.722345  0.944596  0.624942  1
  Mg  Mg228  1  0.755490  0.111135  0.124891  1
  Mg  Mg229  1  0.755490  0.111135  0.625281  1
  Mg  Mg230  1  0.588950  0.277892  0.125043  1
  Mg  Mg231  1  0.588950  0.277892  0.625129  1
  Mg  Mg232  1  0.422283  0.444565  0.125075  1
  Mg  Mg233  1  0.422283  0.444565  0.625097  1
  Mg  Mg234  1  0.255607  0.611210  0.125049  1
  Mg  Mg235  1  0.255607  0.611210  0.625123  1
  Mg  Mg236  1  0.088828  0.777739  0.124908  1
  Mg  Mg237  1  0.088828  0.777739  0.625264  1
  Mg  Mg238  1  0.922377  0.944600  0.125288  1
  Mg  Mg239  1  0.922377  0.944600  0.624883  1
