# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.87298672
_cell_length_b   22.36010027
_cell_length_c   45.65771635
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12938.4082383
_cell_formula_units_Z   252
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  0.004854  0.678040  0.293781  1
  Mg  Mg2  1  0.528745  0.472139  0.343589  1
  Mg  Mg3  1  0.640476  0.666374  0.312616  1
  Mg  Mg4  1  0.027728  0.183051  0.285001  1
  Mg  Mg5  1  0.962319  0.334224  0.299134  1
  Mg  Mg6  1  0.901050  0.492240  0.317307  1
  Mg  Mg7  1  0.361566  0.352790  0.288205  1
  Mg  Mg8  1  0.307341  0.494382  0.307757  1
  Mg  Mg9  1  0.237032  0.645477  0.326728  1
  Mg  Mg10  1  0.684254  0.017402  0.286325  1
  Mg  Mg11  1  0.617851  0.175477  0.299442  1
  Mg  Mg12  1  0.574494  0.323600  0.320931  1
  Mg  Mg13  1  0.963335  0.833683  0.310899  1
  Mg  Mg14  1  0.902102  0.982668  0.329229  1
  Mg  Mg15  1  0.342553  0.851144  0.290657  1
  Mg  Mg16  1  0.289302  1.003666  0.307259  1
  Mg  Mg17  1  0.238412  0.150477  0.328219  1
  Mg  Mg18  1  0.569412  0.812360  0.329037  1
  Mg  Mg19  1  0.176986  0.761549  0.288713  1
  Mg  Mg20  1  0.700168  0.551065  0.350813  1
  Mg  Mg21  1  0.784777  0.760668  0.300705  1
  Mg  Mg22  1  0.195422  0.268729  0.291262  1
  Mg  Mg23  1  0.134005  0.413085  0.310173  1
  Mg  Mg24  1  0.084069  0.557813  0.328259  1
  Mg  Mg25  1  0.368041  0.387049  0.352045  1
  Mg  Mg26  1  0.462795  0.587921  0.306598  1
  Mg  Mg27  1  0.400473  0.730249  0.324812  1
  Mg  Mg28  1  0.848750  0.104574  0.291774  1
  Mg  Mg29  1  0.803146  0.248265  0.311189  1
  Mg  Mg30  1  0.753773  0.398014  0.330464  1
  Mg  Mg31  1  0.118293  0.921732  0.302924  1
  Mg  Mg32  1  0.065786  0.069097  0.325601  1
  Mg  Mg33  1  0.513370  0.933483  0.291180  1
  Mg  Mg34  1  0.463372  0.085518  0.309772  1
  Mg  Mg35  1  0.409050  0.235296  0.330064  1
  Mg  Mg36  1  0.731460  0.900623  0.324238  1
  Mg  Mg37  1  0.866193  0.646682  0.345695  1
  Mg  Mg38  1  0.394756  0.436952  0.412922  1
  Mg  Mg39  1  0.486979  0.631748  0.369051  1
  Mg  Mg40  1  0.872463  0.145215  0.355242  1
  Mg  Mg41  1  0.823760  0.293725  0.375271  1
  Mg  Mg42  1  0.773178  0.443230  0.394086  1
  Mg  Mg43  1  0.201604  0.309358  0.354389  1
  Mg  Mg44  1  0.159920  0.459546  0.373169  1
  Mg  Mg45  1  0.102264  0.611549  0.389582  1
  Mg  Mg46  1  0.540398  0.981818  0.352447  1
  Mg  Mg47  1  0.486276  0.129055  0.373572  1
  Mg  Mg48  1  0.437761  0.279115  0.393452  1
  Mg  Mg49  1  0.817097  0.796256  0.364766  1
  Mg  Mg50  1  0.763654  0.955384  0.384632  1
  Mg  Mg51  1  0.203732  0.817732  0.348022  1
  Mg  Mg52  1  0.150410  0.963404  0.366089  1
  Mg  Mg53  1  0.099286  0.120148  0.386674  1
  Mg  Mg54  1  0.431336  0.782776  0.386640  1
  Mg  Mg55  1  0.043610  0.729792  0.354068  1
  Mg  Mg56  1  0.556883  0.521186  0.407613  1
  Mg  Mg57  1  0.656592  0.713098  0.375154  1
  Mg  Mg58  1  0.030459  0.233092  0.346009  1
  Mg  Mg59  1  0.979541  0.384062  0.362380  1
  Mg  Mg60  1  0.931304  0.530188  0.382533  1
  Mg  Mg61  1  0.229999  0.355125  0.416361  1
  Mg  Mg62  1  0.324264  0.544554  0.370203  1
  Mg  Mg63  1  0.266151  0.699550  0.387921  1
  Mg  Mg64  1  0.696491  0.071793  0.345758  1
  Mg  Mg65  1  0.644740  0.217324  0.363635  1
  Mg  Mg66  1  0.598735  0.365469  0.385033  1
  Mg  Mg67  1  0.987935  0.879405  0.373836  1
  Mg  Mg68  1  0.941004  0.030387  0.392558  1
  Mg  Mg69  1  0.374599  0.900656  0.351251  1
  Mg  Mg70  1  0.318906  0.046316  0.370655  1
  Mg  Mg71  1  0.269653  0.197574  0.390986  1
  Mg  Mg72  1  0.605221  0.864845  0.391075  1
  Mg  Mg73  1  0.729678  0.601388  0.412897  1
  Mg  Mg74  1  0.252373  0.402960  0.478569  1
  Mg  Mg75  1  0.346293  0.594175  0.432180  1
  Mg  Mg76  1  0.722634  0.110488  0.408845  1
  Mg  Mg77  1  0.671675  0.260329  0.428384  1
  Mg  Mg78  1  0.623261  0.411605  0.448393  1
  Mg  Mg79  1  0.055411  0.277053  0.408804  1
  Mg  Mg80  1  0.006851  0.426683  0.427123  1
  Mg  Mg81  1  0.956349  0.577384  0.445886  1
  Mg  Mg82  1  0.394937  0.941557  0.413885  1
  Mg  Mg83  1  0.343615  0.092218  0.433647  1
  Mg  Mg84  1  0.294977  0.243039  0.453926  1
  Mg  Mg85  1  0.681932  0.760653  0.437383  1
  Mg  Mg86  1  0.628153  0.909365  0.456092  1
  Mg  Mg87  1  0.062861  0.774341  0.417069  1
  Mg  Mg88  1  0.014986  0.925057  0.437466  1
  Mg  Mg89  1  0.964179  0.075461  0.456877  1
  Mg  Mg90  1  0.291070  0.744892  0.451765  1
  Mg  Mg91  1  0.891145  0.693042  0.409420  1
  Mg  Mg92  1  0.417738  0.485131  0.474827  1
  Mg  Mg93  1  0.511404  0.679155  0.430985  1
  Mg  Mg94  1  0.897153  0.187771  0.417754  1
  Mg  Mg95  1  0.848053  0.339342  0.438260  1
  Mg  Mg96  1  0.796286  0.491996  0.455992  1
  Mg  Mg97  1  0.081447  0.320528  0.472485  1
  Mg  Mg98  1  0.182449  0.508566  0.434997  1
  Mg  Mg99  1  0.126665  0.658274  0.453172  1
  Mg  Mg100  1  0.562038  0.021865  0.415500  1
  Mg  Mg101  1  0.512878  0.173060  0.436508  1
  Mg  Mg102  1  0.460643  0.327485  0.455509  1
  Mg  Mg103  1  0.838103  0.847673  0.426976  1
  Mg  Mg104  1  0.790106  0.997609  0.448283  1
  Mg  Mg105  1  0.226094  0.859049  0.411126  1
  Mg  Mg106  1  0.173841  0.011447  0.428670  1
  Mg  Mg107  1  0.123946  0.164687  0.450079  1
  Mg  Mg108  1  0.456987  0.827583  0.450228  1
  Mg  Mg109  1  0.581148  0.569709  0.471002  1
  Mg  Mg110  1  0.104927  0.369027  0.534950  1
  Mg  Mg111  1  0.205473  0.554842  0.498086  1
  Mg  Mg112  1  0.587148  0.065382  0.478145  1
  Mg  Mg113  1  0.535951  0.221331  0.498532  1
  Mg  Mg114  1  0.483769  0.374694  0.517887  1
  Mg  Mg115  1  0.920793  0.232540  0.480432  1
  Mg  Mg116  1  0.872136  0.387713  0.500593  1
  Mg  Mg117  1  0.820286  0.538215  0.519011  1
  Mg  Mg118  1  0.249792  0.905006  0.474002  1
  Mg  Mg119  1  0.198459  0.056678  0.492149  1
  Mg  Mg120  1  0.148678  0.208523  0.513631  1
  Mg  Mg121  1  0.534248  0.724348  0.494004  1
  Mg  Mg122  1  0.480401  0.873450  0.513615  1
  Mg  Mg123  1  0.913755  0.741386  0.472393  1
  Mg  Mg124  1  0.863898  0.891367  0.491128  1
  Mg  Mg125  1  0.814073  0.041755  0.511959  1
  Mg  Mg126  1  0.151843  0.703349  0.516793  1
  Mg  Mg127  1  0.753561  0.649032  0.476264  1
  Mg  Mg128  1  0.276147  0.450014  0.541481  1
  Mg  Mg129  1  0.369902  0.639465  0.495353  1
  Mg  Mg130  1  0.746395  0.154011  0.472245  1
  Mg  Mg131  1  0.696936  0.307068  0.491899  1
  Mg  Mg132  1  0.647039  0.458705  0.510914  1
  Mg  Mg133  1  0.944252  0.280969  0.542642  1
  Mg  Mg134  1  0.030606  0.474362  0.490132  1
  Mg  Mg135  1  0.979398  0.625029  0.508953  1
  Mg  Mg136  1  0.417540  0.986870  0.476318  1
  Mg  Mg137  1  0.369082  0.138100  0.496617  1
  Mg  Mg138  1  0.317331  0.290025  0.516494  1
  Mg  Mg139  1  0.705419  0.804653  0.501214  1
  Mg  Mg140  1  0.653491  0.953791  0.519934  1
  Mg  Mg141  1  0.088461  0.819130  0.480352  1
  Mg  Mg142  1  0.039173  0.970417  0.501305  1
  Mg  Mg143  1  0.988669  0.120659  0.520605  1
  Mg  Mg144  1  0.314760  0.790851  0.515178  1
  Mg  Mg145  1  0.442547  0.531054  0.537562  1
  Mg  Mg146  1  0.968740  0.324863  0.606530  1
  Mg  Mg147  1  0.053485  0.520873  0.553134  1
  Mg  Mg148  1  0.442559  0.032371  0.538511  1
  Mg  Mg149  1  0.392787  0.184604  0.559483  1
  Mg  Mg150  1  0.342107  0.337446  0.578834  1
  Mg  Mg151  1  0.771360  0.200265  0.534643  1
  Mg  Mg152  1  0.720317  0.354548  0.554687  1
  Mg  Mg153  1  0.670681  0.504678  0.573524  1
  Mg  Mg154  1  0.111518  0.864832  0.543746  1
  Mg  Mg155  1  0.063769  0.015756  0.565213  1
  Mg  Mg156  1  0.012666  0.170340  0.583448  1
  Mg  Mg157  1  0.392677  0.684727  0.558651  1
  Mg  Mg158  1  0.339319  0.836901  0.578048  1
  Mg  Mg159  1  0.778208  0.693725  0.540435  1
  Mg  Mg160  1  0.729641  0.848921  0.565013  1
  Mg  Mg161  1  0.675631  1.003499  0.582456  1
  Mg  Mg162  1  0.004715  0.668838  0.572495  1
  Mg  Mg163  1  0.605024  0.616325  0.534717  1
  Mg  Mg164  1  0.129243  0.414907  0.597837  1
  Mg  Mg165  1  0.230702  0.599056  0.561790  1
  Mg  Mg166  1  0.610126  0.113349  0.539910  1
  Mg  Mg167  1  0.560248  0.267587  0.561088  1
  Mg  Mg168  1  0.508010  0.421142  0.580533  1
  Mg  Mg169  1  0.792027  0.246694  0.596586  1
  Mg  Mg170  1  0.896686  0.432993  0.564292  1
  Mg  Mg171  1  0.844607  0.582144  0.582643  1
  Mg  Mg172  1  0.273911  0.950838  0.537531  1
  Mg  Mg173  1  0.223889  0.100912  0.555810  1
  Mg  Mg174  1  0.172923  0.257688  0.575466  1
  Mg  Mg175  1  0.557768  0.769285  0.557271  1
  Mg  Mg176  1  0.504333  0.920390  0.576792  1
  Mg  Mg177  1  0.938888  0.785655  0.536497  1
  Mg  Mg178  1  0.887165  0.936359  0.555301  1
  Mg  Mg179  1  0.838816  0.089046  0.574726  1
  Mg  Mg180  1  0.174396  0.749255  0.579960  1
  Mg  Mg181  1  0.301451  0.493537  0.605423  1
  Mg  Mg182  1  0.819017  0.293318  0.657820  1
  Mg  Mg183  1  0.924391  0.475552  0.628750  1
  Mg  Mg184  1  0.294957  0.994957  0.602324  1
  Mg  Mg185  1  0.246214  0.151137  0.617516  1
  Mg  Mg186  1  0.192910  0.303814  0.637944  1
  Mg  Mg187  1  0.631670  0.157950  0.602553  1
  Mg  Mg188  1  0.583741  0.314863  0.623624  1
  Mg  Mg189  1  0.530846  0.464893  0.643581  1
  Mg  Mg190  1  0.960674  0.830806  0.601170  1
  Mg  Mg191  1  0.914761  0.984141  0.618063  1
  Mg  Mg192  1  0.860493  0.136465  0.636906  1
  Mg  Mg193  1  0.254384  0.645104  0.625125  1
  Mg  Mg194  1  0.195717  0.790814  0.642832  1
  Mg  Mg195  1  0.627833  0.661405  0.598757  1
  Mg  Mg196  1  0.582195  0.816257  0.620225  1
  Mg  Mg197  1  0.523336  0.964805  0.640186  1
  Mg  Mg198  1  0.870993  0.622012  0.645617  1
  Mg  Mg199  1  0.465515  0.575645  0.601049  1
  Mg  Mg200  1  0.994000  0.367044  0.672023  1
  Mg  Mg201  1  0.080376  0.564465  0.616610  1
  Mg  Mg202  1  0.462005  0.076925  0.600953  1
  Mg  Mg203  1  0.413891  0.233573  0.621973  1
  Mg  Mg204  1  0.366015  0.379856  0.641958  1
  Mg  Mg205  1  0.662005  0.207946  0.663500  1
  Mg  Mg206  1  0.743691  0.401092  0.617639  1
  Mg  Mg207  1  0.695182  0.547635  0.636071  1
  Mg  Mg208  1  0.136078  0.908070  0.607244  1
  Mg  Mg209  1  0.085924  0.066742  0.628029  1
  Mg  Mg210  1  0.038557  0.213087  0.648600  1
  Mg  Mg211  1  0.416086  0.731603  0.621386  1
  Mg  Mg212  1  0.360344  0.878281  0.641426  1
  Mg  Mg213  1  0.802898  0.737067  0.604398  1
  Mg  Mg214  1  0.750421  0.900781  0.626905  1
  Mg  Mg215  1  0.703110  0.045921  0.646096  1
  Mg  Mg216  1  0.025743  0.711373  0.635554  1
  Mg  Mg217  1  0.157183  0.458705  0.662424  1
  Mg  Mg218  1  0.650724  0.245342  0.727113  1
  Mg  Mg219  1  0.768794  0.446445  0.680767  1
  Mg  Mg220  1  0.165684  0.962980  0.668703  1
  Mg  Mg221  1  0.113744  0.107159  0.693263  1
  Mg  Mg222  1  0.063198  0.251697  0.712432  1
  Mg  Mg223  1  0.498427  0.127829  0.660630  1
  Mg  Mg224  1  0.448487  0.275807  0.684868  1
  Mg  Mg225  1  0.388056  0.421182  0.704300  1
  Mg  Mg226  1  0.834997  0.793241  0.665149  1
  Mg  Mg227  1  0.777514  0.942030  0.691111  1
  Mg  Mg228  1  0.709187  0.102347  0.708029  1
  Mg  Mg229  1  0.100109  0.610610  0.680418  1
  Mg  Mg230  1  0.053204  0.757961  0.697880  1
  Mg  Mg231  1  0.497902  0.624615  0.663124  1
  Mg  Mg232  1  0.445830  0.774278  0.684185  1
  Mg  Mg233  1  0.386543  0.930360  0.701749  1
  Mg  Mg234  1  0.716770  0.591539  0.699008  1
  Mg  Mg235  1  0.328996  0.541163  0.668277  1
  Mg  Mg236  1  0.832474  0.328767  0.721206  1
  Mg  Mg237  1  0.947689  0.519422  0.693039  1
  Mg  Mg238  1  0.325690  0.051467  0.664035  1
  Mg  Mg239  1  0.273365  0.196234  0.680180  1
  Mg  Mg240  1  0.221467  0.337999  0.701864  1
  Mg  Mg241  1  0.468546  0.160228  0.723922  1
  Mg  Mg242  1  0.612760  0.359683  0.686215  1
  Mg  Mg243  1  0.549641  0.509026  0.705922  1
  Mg  Mg244  1  0.994454  0.883254  0.663936  1
  Mg  Mg245  1  0.930396  0.034076  0.681587  1
  Mg  Mg246  1  0.878669  0.183998  0.700414  1
  Mg  Mg247  1  0.282548  0.688394  0.688450  1
  Mg  Mg248  1  0.223290  0.841337  0.702721  1
  Mg  Mg249  1  0.665442  0.710322  0.661445  1
  Mg  Mg250  1  0.609379  0.860109  0.683359  1
  Mg  Mg251  1  0.548774  0.016338  0.701693  1
  Mg  Mg252  1  0.878687  0.678582  0.704989  1
