# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53090469
_cell_length_b   22.79126829
_cell_length_c   45.91548404
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg336
_cell_volume   17299.1308104
_cell_formula_units_Z   336
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  0.999811  0.737390  0.288057  1
  Mg  Mg2  1  0.165671  0.708636  0.317653  1
  Mg  Mg3  1  0.998901  0.208454  0.317382  1
  Mg  Mg4  1  0.333507  0.679898  0.347801  1
  Mg  Mg5  1  0.501009  0.708474  0.317925  1
  Mg  Mg6  1  0.164598  0.237281  0.288187  1
  Mg  Mg7  1  0.332214  0.208546  0.317360  1
  Mg  Mg8  1  0.667024  0.679672  0.347780  1
  Mg  Mg9  1  0.835367  0.708417  0.317813  1
  Mg  Mg10  1  0.498018  0.236831  0.288160  1
  Mg  Mg11  1  0.665588  0.208206  0.317343  1
  Mg  Mg12  1  0.831335  0.236623  0.288168  1
  Mg  Mg13  1  0.053138  0.340602  0.310114  1
  Mg  Mg14  1  0.220909  0.312526  0.340290  1
  Mg  Mg15  1  0.054120  0.812079  0.340783  1
  Mg  Mg16  1  0.386855  0.340378  0.310114  1
  Mg  Mg17  1  0.554342  0.312163  0.340296  1
  Mg  Mg18  1  0.216812  0.842136  0.310900  1
  Mg  Mg19  1  0.386734  0.812499  0.340045  1
  Mg  Mg20  1  0.720109  0.340132  0.310104  1
  Mg  Mg21  1  0.887560  0.312142  0.340313  1
  Mg  Mg22  1  0.553007  0.842224  0.311121  1
  Mg  Mg23  1  0.721388  0.812470  0.340043  1
  Mg  Mg24  1  0.889210  0.840684  0.310415  1
  Mg  Mg25  1  0.999828  0.474597  0.303365  1
  Mg  Mg26  1  0.166766  0.444384  0.332289  1
  Mg  Mg27  1  0.000098  0.944295  0.332542  1
  Mg  Mg28  1  0.333689  0.474178  0.303406  1
  Mg  Mg29  1  0.500342  0.444000  0.332385  1
  Mg  Mg30  1  0.166048  0.974684  0.303481  1
  Mg  Mg31  1  0.332495  0.944768  0.332587  1
  Mg  Mg32  1  0.666813  0.473920  0.303399  1
  Mg  Mg33  1  0.833554  0.443865  0.332365  1
  Mg  Mg34  1  0.498704  0.973808  0.303449  1
  Mg  Mg35  1  0.666185  0.944920  0.332617  1
  Mg  Mg36  1  0.832384  0.973465  0.303449  1
  Mg  Mg37  1  0.111787  0.576894  0.324974  1
  Mg  Mg38  1  0.277768  0.604056  0.295789  1
  Mg  Mg39  1  0.112392  0.106306  0.295711  1
  Mg  Mg40  1  0.445246  0.576122  0.325173  1
  Mg  Mg41  1  0.610271  0.603687  0.295757  1
  Mg  Mg42  1  0.278455  0.076917  0.324919  1
  Mg  Mg43  1  0.445440  0.105851  0.295686  1
  Mg  Mg44  1  0.779126  0.576069  0.324824  1
  Mg  Mg45  1  0.946241  0.606442  0.295578  1
  Mg  Mg46  1  0.611525  0.076538  0.324819  1
  Mg  Mg47  1  0.778906  0.105523  0.295694  1
  Mg  Mg48  1  0.945178  0.076385  0.324783  1
  Mg  Mg49  1  0.000439  0.679603  0.348575  1
  Mg  Mg50  1  0.167289  0.650643  0.378970  1
  Mg  Mg51  1  0.999713  0.150452  0.378961  1
  Mg  Mg52  1  0.334077  0.621805  0.410262  1
  Mg  Mg53  1  0.500424  0.650577  0.378866  1
  Mg  Mg54  1  0.166152  0.179689  0.348582  1
  Mg  Mg55  1  0.333099  0.150575  0.379010  1
  Mg  Mg56  1  0.667096  0.621728  0.410259  1
  Mg  Mg57  1  0.833495  0.650414  0.378945  1
  Mg  Mg58  1  0.499385  0.179414  0.348550  1
  Mg  Mg59  1  0.666376  0.150315  0.378955  1
  Mg  Mg60  1  0.832808  0.179272  0.348540  1
  Mg  Mg61  1  0.054953  0.282753  0.371081  1
  Mg  Mg62  1  0.222113  0.254112  0.402477  1
  Mg  Mg63  1  0.055327  0.753897  0.402655  1
  Mg  Mg64  1  0.388290  0.282720  0.371076  1
  Mg  Mg65  1  0.555429  0.253922  0.402466  1
  Mg  Mg66  1  0.221106  0.782898  0.371588  1
  Mg  Mg67  1  0.388667  0.753981  0.402213  1
  Mg  Mg68  1  0.721640  0.282495  0.371074  1
  Mg  Mg69  1  0.888760  0.253909  0.402477  1
  Mg  Mg70  1  0.554412  0.782944  0.371497  1
  Mg  Mg71  1  0.721802  0.753939  0.402164  1
  Mg  Mg72  1  0.888254  0.782670  0.371312  1
  Mg  Mg73  1  0.000311  0.415195  0.363838  1
  Mg  Mg74  1  0.166666  0.386358  0.394546  1
  Mg  Mg75  1  0.999558  0.886234  0.394727  1
  Mg  Mg76  1  0.333700  0.415200  0.363837  1
  Mg  Mg77  1  0.500034  0.386191  0.394562  1
  Mg  Mg78  1  0.166307  0.915498  0.364221  1
  Mg  Mg79  1  0.332847  0.886012  0.394450  1
  Mg  Mg80  1  0.667075  0.414972  0.363849  1
  Mg  Mg81  1  0.833344  0.386108  0.394578  1
  Mg  Mg82  1  0.499255  0.915075  0.364052  1
  Mg  Mg83  1  0.666168  0.885968  0.394352  1
  Mg  Mg84  1  0.833156  0.914745  0.363833  1
  Mg  Mg85  1  0.111515  0.518311  0.386585  1
  Mg  Mg86  1  0.278322  0.547479  0.356375  1
  Mg  Mg87  1  0.111577  0.047702  0.356411  1
  Mg  Mg88  1  0.445013  0.518186  0.386633  1
  Mg  Mg89  1  0.611931  0.547373  0.356335  1
  Mg  Mg90  1  0.277873  0.018361  0.386734  1
  Mg  Mg91  1  0.444753  0.047448  0.356376  1
  Mg  Mg92  1  0.778245  0.518112  0.386577  1
  Mg  Mg93  1  0.944968  0.547570  0.356275  1
  Mg  Mg94  1  0.611030  0.018154  0.386677  1
  Mg  Mg95  1  0.778270  0.047382  0.356364  1
  Mg  Mg96  1  0.944556  0.018113  0.386631  1
  Mg  Mg97  1  0.000525  0.621400  0.410668  1
  Mg  Mg98  1  0.167038  0.592323  0.441805  1
  Mg  Mg99  1  0.999836  0.092257  0.441938  1
  Mg  Mg100  1  0.333649  0.563390  0.473274  1
  Mg  Mg101  1  0.500304  0.592299  0.441765  1
  Mg  Mg102  1  0.166791  0.121446  0.410817  1
  Mg  Mg103  1  0.333222  0.092274  0.441958  1
  Mg  Mg104  1  0.666890  0.563352  0.473275  1
  Mg  Mg105  1  0.833464  0.592236  0.441804  1
  Mg  Mg106  1  0.500076  0.121288  0.410797  1
  Mg  Mg107  1  0.666582  0.092126  0.441917  1
  Mg  Mg108  1  0.833454  0.121222  0.410789  1
  Mg  Mg109  1  0.055481  0.224544  0.433976  1
  Mg  Mg110  1  0.222251  0.195686  0.465540  1
  Mg  Mg111  1  0.055673  0.695601  0.465539  1
  Mg  Mg112  1  0.388853  0.224559  0.433980  1
  Mg  Mg113  1  0.555620  0.195581  0.465535  1
  Mg  Mg114  1  0.222292  0.724506  0.434066  1
  Mg  Mg115  1  0.389093  0.695693  0.465374  1
  Mg  Mg116  1  0.722175  0.224428  0.433962  1
  Mg  Mg117  1  0.888892  0.195615  0.465555  1
  Mg  Mg118  1  0.555486  0.724487  0.433981  1
  Mg  Mg119  1  0.722263  0.695689  0.465358  1
  Mg  Mg120  1  0.888697  0.724467  0.433985  1
  Mg  Mg121  1  0.000128  0.356724  0.426222  1
  Mg  Mg122  1  0.166719  0.327891  0.457556  1
  Mg  Mg123  1  0.999772  0.827820  0.457634  1
  Mg  Mg124  1  0.333489  0.356787  0.426206  1
  Mg  Mg125  1  0.500099  0.327818  0.457570  1
  Mg  Mg126  1  0.166374  0.856802  0.426418  1
  Mg  Mg127  1  0.333268  0.827804  0.457514  1
  Mg  Mg128  1  0.666821  0.356648  0.426209  1
  Mg  Mg129  1  0.833402  0.327781  0.457584  1
  Mg  Mg130  1  0.499657  0.856729  0.426328  1
  Mg  Mg131  1  0.666512  0.827785  0.457475  1
  Mg  Mg132  1  0.832973  0.856618  0.426257  1
  Mg  Mg133  1  0.111262  0.460143  0.449703  1
  Mg  Mg134  1  0.278049  0.489137  0.418450  1
  Mg  Mg135  1  0.110869  0.989181  0.418665  1
  Mg  Mg136  1  0.444665  0.460086  0.449722  1
  Mg  Mg137  1  0.611394  0.489022  0.418447  1
  Mg  Mg138  1  0.277633  0.960015  0.449736  1
  Mg  Mg139  1  0.444149  0.988988  0.418600  1
  Mg  Mg140  1  0.777957  0.460046  0.449714  1
  Mg  Mg141  1  0.944607  0.489014  0.418457  1
  Mg  Mg142  1  0.610986  0.959933  0.449690  1
  Mg  Mg143  1  0.777592  0.988811  0.418480  1
  Mg  Mg144  1  0.944193  0.960069  0.449793  1
  Mg  Mg145  1  0.000221  0.563183  0.473458  1
  Mg  Mg146  1  0.166889  0.534204  0.504866  1
  Mg  Mg147  1  0.999845  0.034167  0.505008  1
  Mg  Mg148  1  0.333449  0.505208  0.536233  1
  Mg  Mg149  1  0.500248  0.534212  0.504849  1
  Mg  Mg150  1  0.166602  0.063142  0.473613  1
  Mg  Mg151  1  0.333224  0.034066  0.504971  1
  Mg  Mg152  1  0.666845  0.505227  0.536237  1
  Mg  Mg153  1  0.833543  0.534199  0.504866  1
  Mg  Mg154  1  0.499974  0.063052  0.473595  1
  Mg  Mg155  1  0.666551  0.034079  0.504979  1
  Mg  Mg156  1  0.833218  0.063065  0.473585  1
  Mg  Mg157  1  0.055498  0.166428  0.497064  1
  Mg  Mg158  1  0.222229  0.137411  0.528456  1
  Mg  Mg159  1  0.055816  0.637439  0.528412  1
  Mg  Mg160  1  0.388915  0.166387  0.497025  1
  Mg  Mg161  1  0.555581  0.137436  0.528496  1
  Mg  Mg162  1  0.222425  0.666411  0.497036  1
  Mg  Mg163  1  0.389211  0.637493  0.528356  1
  Mg  Mg164  1  0.722210  0.166373  0.497037  1
  Mg  Mg165  1  0.888831  0.137475  0.528513  1
  Mg  Mg166  1  0.555723  0.666426  0.497017  1
  Mg  Mg167  1  0.722479  0.637536  0.528348  1
  Mg  Mg168  1  0.888990  0.666436  0.497009  1
  Mg  Mg169  1  0.000101  0.298624  0.489221  1
  Mg  Mg170  1  0.166661  0.269720  0.520587  1
  Mg  Mg171  1  0.000067  0.769721  0.520608  1
  Mg  Mg172  1  0.333475  0.298662  0.489164  1
  Mg  Mg173  1  0.500080  0.269698  0.520601  1
  Mg  Mg174  1  0.166700  0.798604  0.489271  1
  Mg  Mg175  1  0.333475  0.769708  0.520561  1
  Mg  Mg176  1  0.666836  0.298600  0.489177  1
  Mg  Mg177  1  0.833368  0.269706  0.520643  1
  Mg  Mg178  1  0.500066  0.798602  0.489230  1
  Mg  Mg179  1  0.666765  0.769767  0.520558  1
  Mg  Mg180  1  0.833306  0.798624  0.489220  1
  Mg  Mg181  1  0.111210  0.401966  0.512737  1
  Mg  Mg182  1  0.277928  0.430921  0.481282  1
  Mg  Mg183  1  0.110913  0.930847  0.481466  1
  Mg  Mg184  1  0.444617  0.401953  0.512749  1
  Mg  Mg185  1  0.611309  0.430862  0.481299  1
  Mg  Mg186  1  0.277739  0.901902  0.512779  1
  Mg  Mg187  1  0.444332  0.930807  0.481446  1
  Mg  Mg188  1  0.777961  0.401934  0.512770  1
  Mg  Mg189  1  0.944578  0.430820  0.481352  1
  Mg  Mg190  1  0.611094  0.901928  0.512778  1
  Mg  Mg191  1  0.777618  0.930798  0.481414  1
  Mg  Mg192  1  0.944342  0.901960  0.512809  1
  Mg  Mg193  1  0.000102  0.505031  0.536414  1
  Mg  Mg194  1  0.166712  0.476027  0.567893  1
  Mg  Mg195  1  0.999740  0.976034  0.568045  1
  Mg  Mg196  1  0.333109  0.446919  0.599015  1
  Mg  Mg197  1  0.500211  0.476066  0.567882  1
  Mg  Mg198  1  0.166439  0.004910  0.536538  1
  Mg  Mg199  1  0.333172  0.975920  0.568034  1
  Mg  Mg200  1  0.666689  0.446980  0.599030  1
  Mg  Mg201  1  0.833589  0.476113  0.567897  1
  Mg  Mg202  1  0.499859  0.004912  0.536562  1
  Mg  Mg203  1  0.666462  0.976083  0.568082  1
  Mg  Mg204  1  0.833135  0.005000  0.536580  1
  Mg  Mg205  1  0.055444  0.108332  0.560141  1
  Mg  Mg206  1  0.222210  0.079046  0.591231  1
  Mg  Mg207  1  0.055849  0.579249  0.591214  1
  Mg  Mg208  1  0.388900  0.108204  0.560045  1
  Mg  Mg209  1  0.555409  0.079268  0.591369  1
  Mg  Mg210  1  0.222510  0.608325  0.560081  1
  Mg  Mg211  1  0.389308  0.579252  0.591211  1
  Mg  Mg212  1  0.722181  0.108312  0.560113  1
  Mg  Mg213  1  0.888802  0.079420  0.591405  1
  Mg  Mg214  1  0.555871  0.608350  0.560095  1
  Mg  Mg215  1  0.722601  0.579358  0.591214  1
  Mg  Mg216  1  0.889138  0.608405  0.560062  1
  Mg  Mg217  1  1.000008  0.240539  0.552335  1
  Mg  Mg218  1  0.166744  0.211481  0.583456  1
  Mg  Mg219  1  0.000481  0.711596  0.583450  1
  Mg  Mg220  1  0.333447  0.240501  0.552172  1
  Mg  Mg221  1  0.500073  0.211620  0.583557  1
  Mg  Mg222  1  0.166938  0.740496  0.552306  1
  Mg  Mg223  1  0.333851  0.711527  0.583440  1
  Mg  Mg224  1  0.666832  0.240519  0.552234  1
  Mg  Mg225  1  0.833436  0.211682  0.583635  1
  Mg  Mg226  1  0.500297  0.740543  0.552295  1
  Mg  Mg227  1  0.667173  0.711672  0.583442  1
  Mg  Mg228  1  0.833574  0.740614  0.552277  1
  Mg  Mg229  1  0.111187  0.343826  0.575752  1
  Mg  Mg230  1  0.277831  0.372731  0.544200  1
  Mg  Mg231  1  0.111069  0.872640  0.544423  1
  Mg  Mg232  1  0.444677  0.343848  0.575771  1
  Mg  Mg233  1  0.611309  0.372707  0.544244  1
  Mg  Mg234  1  0.277945  0.843799  0.575761  1
  Mg  Mg235  1  0.444468  0.872623  0.544408  1
  Mg  Mg236  1  0.778093  0.343862  0.575853  1
  Mg  Mg237  1  0.944541  0.372642  0.544384  1
  Mg  Mg238  1  0.611288  0.843946  0.575786  1
  Mg  Mg239  1  0.777751  0.872730  0.544410  1
  Mg  Mg240  1  0.944574  0.843909  0.575769  1
  Mg  Mg241  1  0.999828  0.446589  0.599418  1
  Mg  Mg242  1  0.166573  0.417771  0.630808  1
  Mg  Mg243  1  0.999461  0.917777  0.630879  1
  Mg  Mg244  1  0.333579  0.388693  0.661210  1
  Mg  Mg245  1  0.500126  0.417878  0.630826  1
  Mg  Mg246  1  0.166107  0.946426  0.599538  1
  Mg  Mg247  1  0.332827  0.917666  0.630887  1
  Mg  Mg248  1  0.666711  0.388939  0.661257  1
  Mg  Mg249  1  0.833630  0.418019  0.630851  1
  Mg  Mg250  1  0.499412  0.946519  0.599571  1
  Mg  Mg251  1  0.666208  0.917945  0.630953  1
  Mg  Mg252  1  0.832773  0.946651  0.599587  1
  Mg  Mg253  1  0.055279  0.050027  0.623093  1
  Mg  Mg254  1  0.221757  0.020706  0.653410  1
  Mg  Mg255  1  0.055058  0.520909  0.653309  1
  Mg  Mg256  1  0.388458  0.050113  0.623173  1
  Mg  Mg257  1  0.554940  0.020858  0.653441  1
  Mg  Mg258  1  0.222298  0.550023  0.623047  1
  Mg  Mg259  1  0.388697  0.520668  0.653404  1
  Mg  Mg260  1  0.721951  0.050312  0.623228  1
  Mg  Mg261  1  0.888419  0.021059  0.653443  1
  Mg  Mg262  1  0.555694  0.550061  0.623126  1
  Mg  Mg263  1  0.721726  0.520794  0.653438  1
  Mg  Mg264  1  0.888866  0.550224  0.623053  1
  Mg  Mg265  1  0.000154  0.182327  0.615463  1
  Mg  Mg266  1  0.166695  0.152808  0.645662  1
  Mg  Mg267  1  0.000476  0.653297  0.645687  1
  Mg  Mg268  1  0.333453  0.182074  0.615108  1
  Mg  Mg269  1  0.499513  0.153255  0.645939  1
  Mg  Mg270  1  0.167212  0.682210  0.615364  1
  Mg  Mg271  1  0.333922  0.653042  0.645703  1
  Mg  Mg272  1  0.666752  0.182159  0.615271  1
  Mg  Mg273  1  0.833297  0.153604  0.646061  1
  Mg  Mg274  1  0.500575  0.682284  0.615340  1
  Mg  Mg275  1  0.667169  0.653265  0.645686  1
  Mg  Mg276  1  0.833864  0.682445  0.615302  1
  Mg  Mg277  1  0.112233  0.285430  0.638301  1
  Mg  Mg278  1  0.277976  0.314411  0.607159  1
  Mg  Mg279  1  0.111460  0.814344  0.607515  1
  Mg  Mg280  1  0.445097  0.285760  0.638569  1
  Mg  Mg281  1  0.611470  0.314413  0.607290  1
  Mg  Mg282  1  0.278825  0.785295  0.638139  1
  Mg  Mg283  1  0.444804  0.814391  0.607513  1
  Mg  Mg284  1  0.778395  0.285663  0.638651  1
  Mg  Mg285  1  0.944744  0.314382  0.607666  1
  Mg  Mg286  1  0.612125  0.785550  0.638146  1
  Mg  Mg287  1  0.778155  0.814591  0.607518  1
  Mg  Mg288  1  0.945456  0.785562  0.638138  1
  Mg  Mg289  1  0.000442  0.388663  0.661997  1
  Mg  Mg290  1  0.168123  0.359892  0.692140  1
  Mg  Mg291  1  0.998697  0.859924  0.691840  1
  Mg  Mg292  1  0.334099  0.331112  0.721658  1
  Mg  Mg293  1  0.500412  0.359881  0.692485  1
  Mg  Mg294  1  0.166166  0.888317  0.661915  1
  Mg  Mg295  1  0.332152  0.859628  0.691793  1
  Mg  Mg296  1  0.668054  0.331685  0.721725  1
  Mg  Mg297  1  0.832180  0.360180  0.691951  1
  Mg  Mg298  1  0.499454  0.888506  0.661973  1
  Mg  Mg299  1  0.665454  0.859991  0.691843  1
  Mg  Mg300  1  0.832847  0.888755  0.662024  1
  Mg  Mg301  1  0.055036  0.991923  0.684624  1
  Mg  Mg302  1  0.222641  0.963886  0.714018  1
  Mg  Mg303  1  0.056571  0.465016  0.713939  1
  Mg  Mg304  1  0.387994  0.992108  0.684716  1
  Mg  Mg305  1  0.555980  0.964435  0.714019  1
  Mg  Mg306  1  0.222176  0.491619  0.684676  1
  Mg  Mg307  1  0.387135  0.462115  0.714137  1
  Mg  Mg308  1  0.721685  0.992491  0.684817  1
  Mg  Mg309  1  0.889712  0.964932  0.714044  1
  Mg  Mg310  1  0.554991  0.491596  0.685100  1
  Mg  Mg311  1  0.721607  0.462558  0.714149  1
  Mg  Mg312  1  0.888273  0.492488  0.684830  1
  Mg  Mg313  1  0.000279  0.123694  0.677293  1
  Mg  Mg314  1  0.166557  0.093752  0.706379  1
  Mg  Mg315  1  0.000634  0.595014  0.706281  1
  Mg  Mg316  1  0.332867  0.124328  0.677383  1
  Mg  Mg317  1  0.499514  0.094251  0.706373  1
  Mg  Mg318  1  0.166935  0.623210  0.677128  1
  Mg  Mg319  1  0.334240  0.594258  0.706326  1
  Mg  Mg320  1  0.666103  0.124199  0.677398  1
  Mg  Mg321  1  0.833747  0.095047  0.706411  1
  Mg  Mg322  1  0.500403  0.623321  0.677159  1
  Mg  Mg323  1  0.667819  0.594541  0.706337  1
  Mg  Mg324  1  0.833474  0.623746  0.677040  1
  Mg  Mg325  1  0.116308  0.226384  0.698920  1
  Mg  Mg326  1  0.279581  0.256203  0.669150  1
  Mg  Mg327  1  0.112320  0.755857  0.669532  1
  Mg  Mg328  1  0.446139  0.228070  0.699644  1
  Mg  Mg329  1  0.611743  0.256285  0.669414  1
  Mg  Mg330  1  0.280088  0.725919  0.698602  1
  Mg  Mg331  1  0.445782  0.755831  0.669482  1
  Mg  Mg332  1  0.777678  0.227893  0.699434  1
  Mg  Mg333  1  0.945987  0.255843  0.669923  1
  Mg  Mg334  1  0.613505  0.726183  0.698612  1
  Mg  Mg335  1  0.778948  0.756172  0.669433  1
  Mg  Mg336  1  0.946378  0.726438  0.698592  1
