# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40723201
_cell_length_b   31.21982093
_cell_length_c   49.46724732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.10112907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12981.3834121
_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  0.369017  0.615865  0.326289  1
  Mg  Mg2  1  0.339608  0.285366  0.306231  1
  Mg  Mg3  1  0.316571  0.956923  0.286632  1
  Mg  Mg4  1  0.698421  0.282640  0.326349  1
  Mg  Mg5  1  0.674013  0.952030  0.306253  1
  Mg  Mg6  1  0.032783  0.949352  0.326377  1
  Mg  Mg7  1  0.725001  0.612924  0.346539  1
  Mg  Mg8  1  0.016366  0.618867  0.306670  1
  Mg  Mg9  1  0.982020  0.290256  0.286588  1
  Mg  Mg10  1  0.490231  0.363836  0.338201  1
  Mg  Mg11  1  0.467833  0.034084  0.318023  1
  Mg  Mg12  1  0.449378  0.705326  0.298707  1
  Mg  Mg13  1  0.824615  0.030533  0.338225  1
  Mg  Mg14  1  0.802563  0.701100  0.318091  1
  Mg  Mg15  1  0.159420  0.697296  0.338375  1
  Mg  Mg16  1  0.781129  0.370859  0.298231  1
  Mg  Mg17  1  0.132906  0.367423  0.317935  1
  Mg  Mg18  1  0.116281  0.037586  0.298287  1
  Mg  Mg19  1  0.353468  0.451092  0.316561  1
  Mg  Mg20  1  0.334978  0.120924  0.296523  1
  Mg  Mg21  1  0.380152  0.781226  0.336851  1
  Mg  Mg22  1  0.688525  0.118028  0.316619  1
  Mg  Mg23  1  0.668771  0.788325  0.296501  1
  Mg  Mg24  1  0.022211  0.784479  0.316482  1
  Mg  Mg25  1  0.711992  0.447568  0.336807  1
  Mg  Mg26  1  0.998372  0.454352  0.296525  1
  Mg  Mg27  1  0.046191  0.114370  0.336729  1
  Mg  Mg28  1  0.573967  0.533755  0.315357  1
  Mg  Mg29  1  0.553456  0.204463  0.294941  1
  Mg  Mg30  1  0.599912  0.864987  0.334799  1
  Mg  Mg31  1  0.908859  0.201845  0.314898  1
  Mg  Mg32  1  0.888181  0.871294  0.294918  1
  Mg  Mg33  1  0.243023  0.868447  0.314897  1
  Mg  Mg34  1  0.933213  0.531252  0.335151  1
  Mg  Mg35  1  0.217103  0.537059  0.295207  1
  Mg  Mg36  1  0.265844  0.198179  0.334752  1
  Mg  Mg37  1  0.438264  0.606150  0.388065  1
  Mg  Mg38  1  0.412437  0.276020  0.367461  1
  Mg  Mg39  1  0.389363  0.946355  0.347138  1
  Mg  Mg40  1  0.769495  0.272752  0.388262  1
  Mg  Mg41  1  0.746497  0.942721  0.367483  1
  Mg  Mg42  1  0.103231  0.939415  0.388264  1
  Mg  Mg43  1  0.794941  0.602842  0.408931  1
  Mg  Mg44  1  0.082108  0.609381  0.367456  1
  Mg  Mg45  1  0.055338  0.279666  0.347108  1
  Mg  Mg46  1  0.561600  0.354170  0.400343  1
  Mg  Mg47  1  0.538722  0.024247  0.379568  1
  Mg  Mg48  1  0.515955  0.694380  0.359214  1
  Mg  Mg49  1  0.895334  0.020822  0.400388  1
  Mg  Mg50  1  0.872628  0.690772  0.379459  1
  Mg  Mg51  1  0.229172  0.687476  0.400419  1
  Mg  Mg52  1  0.848191  0.360774  0.358852  1
  Mg  Mg53  1  0.204836  0.357572  0.379526  1
  Mg  Mg54  1  0.182252  0.027518  0.358897  1
  Mg  Mg55  1  0.425286  0.441139  0.377846  1
  Mg  Mg56  1  0.402409  0.111175  0.357205  1
  Mg  Mg57  1  0.449261  0.771181  0.398777  1
  Mg  Mg58  1  0.759033  0.107760  0.377878  1
  Mg  Mg59  1  0.735958  0.777703  0.357099  1
  Mg  Mg60  1  0.092604  0.774405  0.377828  1
  Mg  Mg61  1  0.782219  0.437795  0.398700  1
  Mg  Mg62  1  0.068594  0.444436  0.357199  1
  Mg  Mg63  1  0.115695  0.104430  0.398723  1
  Mg  Mg64  1  0.645940  0.524792  0.376266  1
  Mg  Mg65  1  0.622083  0.194653  0.355508  1
  Mg  Mg66  1  0.669378  0.854671  0.396888  1
  Mg  Mg67  1  0.978877  0.191413  0.376175  1
  Mg  Mg68  1  0.955936  0.861215  0.355449  1
  Mg  Mg69  1  0.312545  0.858146  0.376202  1
  Mg  Mg70  1  0.002811  0.521398  0.397011  1
  Mg  Mg71  1  0.288921  0.527994  0.355601  1
  Mg  Mg72  1  0.335664  0.188038  0.396924  1
  Mg  Mg73  1  0.508957  0.596114  0.451055  1
  Mg  Mg74  1  0.484144  0.266079  0.430214  1
  Mg  Mg75  1  0.460844  0.936097  0.409375  1
  Mg  Mg76  1  0.841223  0.262747  0.451193  1
  Mg  Mg77  1  0.817730  0.932722  0.430221  1
  Mg  Mg78  1  0.174726  0.929411  0.451198  1
  Mg  Mg79  1  0.865747  0.592803  0.472001  1
  Mg  Mg80  1  0.152064  0.599430  0.430127  1
  Mg  Mg81  1  0.127087  0.269426  0.409360  1
  Mg  Mg82  1  0.632761  0.344155  0.463354  1
  Mg  Mg83  1  0.609379  0.014148  0.442441  1
  Mg  Mg84  1  0.586258  0.684119  0.421537  1
  Mg  Mg85  1  0.966187  0.010800  0.463386  1
  Mg  Mg86  1  0.943077  0.680787  0.442366  1
  Mg  Mg87  1  0.300037  0.677481  0.463374  1
  Mg  Mg88  1  0.918724  0.350820  0.421474  1
  Mg  Mg89  1  0.275867  0.347500  0.442405  1
  Mg  Mg90  1  0.252323  0.017456  0.421509  1
  Mg  Mg91  1  0.496593  0.431093  0.440658  1
  Mg  Mg92  1  0.472803  0.101083  0.419766  1
  Mg  Mg93  1  0.520337  0.761088  0.461665  1
  Mg  Mg94  1  0.829886  0.097718  0.440701  1
  Mg  Mg95  1  0.806391  0.767690  0.419677  1
  Mg  Mg96  1  0.163419  0.764383  0.440662  1
  Mg  Mg97  1  0.853497  0.427777  0.461640  1
  Mg  Mg98  1  0.139437  0.434451  0.419740  1
  Mg  Mg99  1  0.186737  0.094419  0.461675  1
  Mg  Mg100  1  0.717322  0.514736  0.438950  1
  Mg  Mg101  1  0.693099  0.184663  0.418028  1
  Mg  Mg102  1  0.740533  0.844693  0.459855  1
  Mg  Mg103  1  0.050163  0.181346  0.438973  1
  Mg  Mg104  1  0.026644  0.851320  0.418000  1
  Mg  Mg105  1  0.383687  0.848047  0.438979  1
  Mg  Mg106  1  0.074228  0.511393  0.459901  1
  Mg  Mg107  1  0.360230  0.518053  0.418019  1
  Mg  Mg108  1  0.407046  0.178053  0.459888  1
  Mg  Mg109  1  0.579655  0.586155  0.514018  1
  Mg  Mg110  1  0.555279  0.256109  0.493158  1
  Mg  Mg111  1  0.531806  0.926087  0.472245  1
  Mg  Mg112  1  0.912179  0.252787  0.514120  1
  Mg  Mg113  1  0.888649  0.922765  0.493160  1
  Mg  Mg114  1  0.245497  0.919463  0.514121  1
  Mg  Mg115  1  0.936525  0.582830  0.534932  1
  Mg  Mg116  1  0.222780  0.589466  0.493056  1
  Mg  Mg117  1  0.198337  0.259425  0.472235  1
  Mg  Mg118  1  0.703715  0.334203  0.526273  1
  Mg  Mg119  1  0.680086  0.004171  0.505347  1
  Mg  Mg120  1  0.657024  0.674161  0.484409  1
  Mg  Mg121  1  0.036972  1.000868  0.526299  1
  Mg  Mg122  1  0.013859  0.670853  0.505298  1
  Mg  Mg123  1  0.370786  0.667555  0.526283  1
  Mg  Mg124  1  0.989839  0.340832  0.484376  1
  Mg  Mg125  1  0.346787  0.337508  0.505328  1
  Mg  Mg126  1  0.323203  0.007493  0.484408  1
  Mg  Mg127  1  0.567471  0.421128  0.503583  1
  Mg  Mg128  1  0.543704  0.091105  0.482650  1
  Mg  Mg129  1  0.591058  0.751161  0.524568  1
  Mg  Mg130  1  0.900634  0.087781  0.503618  1
  Mg  Mg131  1  0.877241  0.757763  0.482601  1
  Mg  Mg132  1  0.234144  0.754461  0.503584  1
  Mg  Mg133  1  0.924407  0.417813  0.524535  1
  Mg  Mg134  1  0.210544  0.424446  0.482630  1
  Mg  Mg135  1  0.257551  0.084488  0.524586  1
  Mg  Mg136  1  0.788144  0.504746  0.501836  1
  Mg  Mg137  1  0.764107  0.174702  0.480911  1
  Mg  Mg138  1  0.811244  0.834765  0.522761  1
  Mg  Mg139  1  0.121044  0.171397  0.501888  1
  Mg  Mg140  1  0.097527  0.841370  0.480885  1
  Mg  Mg141  1  0.454418  0.838067  0.501870  1
  Mg  Mg142  1  0.145083  0.501428  0.522791  1
  Mg  Mg143  1  0.431253  0.508054  0.480893  1
  Mg  Mg144  1  0.477944  0.168093  0.522793  1
  Mg  Mg145  1  0.650711  0.576197  0.576958  1
  Mg  Mg146  1  0.626091  0.246141  0.556121  1
  Mg  Mg147  1  0.602461  0.916117  0.535170  1
  Mg  Mg148  1  0.983028  0.242823  0.577050  1
  Mg  Mg149  1  0.959278  0.912809  0.556119  1
  Mg  Mg150  1  0.316137  0.909513  0.577047  1
  Mg  Mg151  1  0.007669  0.572834  0.597802  1
  Mg  Mg152  1  0.293669  0.579510  0.555978  1
  Mg  Mg153  1  0.269237  0.249448  0.535172  1
  Mg  Mg154  1  0.774815  0.324220  0.589142  1
  Mg  Mg155  1  0.750853  0.994155  0.568207  1
  Mg  Mg156  1  0.727796  0.664232  0.547315  1
  Mg  Mg157  1  0.107960  0.990893  0.589169  1
  Mg  Mg158  1  0.084671  0.660879  0.568185  1
  Mg  Mg159  1  0.441748  0.657619  0.589164  1
  Mg  Mg160  1  0.060756  0.330866  0.547265  1
  Mg  Mg161  1  0.417688  0.327524  0.568211  1
  Mg  Mg162  1  0.393952  0.997558  0.547299  1
  Mg  Mg163  1  0.638363  0.411165  0.566504  1
  Mg  Mg164  1  0.614541  0.081149  0.545535  1
  Mg  Mg165  1  0.661925  0.741250  0.587492  1
  Mg  Mg166  1  0.971528  0.077832  0.566544  1
  Mg  Mg167  1  0.947961  0.747841  0.545505  1
  Mg  Mg168  1  0.304885  0.744542  0.566503  1
  Mg  Mg169  1  0.995529  0.407821  0.587425  1
  Mg  Mg170  1  0.281453  0.414486  0.545526  1
  Mg  Mg171  1  0.328652  0.074547  0.587516  1
  Mg  Mg172  1  0.859014  0.494758  0.564757  1
  Mg  Mg173  1  0.834999  0.164758  0.543825  1
  Mg  Mg174  1  0.881978  0.824825  0.585634  1
  Mg  Mg175  1  0.192023  0.161452  0.564836  1
  Mg  Mg176  1  0.168229  0.831447  0.543795  1
  Mg  Mg177  1  0.525154  0.828139  0.564800  1
  Mg  Mg178  1  0.216161  0.491456  0.585693  1
  Mg  Mg179  1  0.502158  0.498107  0.543811  1
  Mg  Mg180  1  0.548952  0.158128  0.585670  1
  Mg  Mg181  1  0.722195  0.566231  0.639692  1
  Mg  Mg182  1  0.696974  0.236135  0.619103  1
  Mg  Mg183  1  0.673151  0.906085  0.598236  1
  Mg  Mg184  1  0.053188  0.232907  0.639719  1
  Mg  Mg185  1  0.029935  0.902802  0.619105  1
  Mg  Mg186  1  0.385852  0.899544  0.639702  1
  Mg  Mg187  1  0.079420  0.562598  0.660051  1
  Mg  Mg188  1  0.365360  0.569533  0.618903  1
  Mg  Mg189  1  0.340204  0.239428  0.598238  1
  Mg  Mg190  1  0.846213  0.314291  0.651562  1
  Mg  Mg191  1  0.822198  0.984083  0.630869  1
  Mg  Mg192  1  0.799039  0.654270  0.610276  1
  Mg  Mg193  1  0.179090  0.981071  0.651615  1
  Mg  Mg194  1  0.155905  0.650795  0.630962  1
  Mg  Mg195  1  0.512567  0.647742  0.651713  1
  Mg  Mg196  1  0.132250  0.320876  0.610150  1
  Mg  Mg197  1  0.489160  0.317492  0.630894  1
  Mg  Mg198  1  0.465241  0.987582  0.610187  1
  Mg  Mg199  1  0.709701  0.401134  0.629319  1
  Mg  Mg200  1  0.685898  0.071052  0.608404  1
  Mg  Mg201  1  0.732389  0.731243  0.650068  1
  Mg  Mg202  1  0.042878  0.067823  0.629365  1
  Mg  Mg203  1  0.019059  0.737748  0.608388  1
  Mg  Mg204  1  0.375730  0.734537  0.629339  1
  Mg  Mg205  1  0.066397  0.397841  0.649966  1
  Mg  Mg206  1  0.352748  0.404467  0.608461  1
  Mg  Mg207  1  0.399611  0.064663  0.650080  1
  Mg  Mg208  1  0.930012  0.484703  0.627639  1
  Mg  Mg209  1  0.906170  0.154761  0.606782  1
  Mg  Mg210  1  0.952252  0.814546  0.647944  1
  Mg  Mg211  1  0.262911  0.151514  0.627756  1
  Mg  Mg212  1  0.239038  0.821444  0.606740  1
  Mg  Mg213  1  0.595574  0.818176  0.627712  1
  Mg  Mg214  1  0.286661  0.481477  0.648300  1
  Mg  Mg215  1  0.573257  0.488081  0.606813  1
  Mg  Mg216  1  0.619800  0.147956  0.647997  1
  Mg  Mg217  1  0.795043  0.556895  0.700940  1
  Mg  Mg218  1  0.766479  0.226425  0.680883  1
  Mg  Mg219  1  0.743108  0.896019  0.660630  1
  Mg  Mg220  1  0.119194  0.223405  0.700517  1
  Mg  Mg221  1  0.098879  0.893076  0.680854  1
  Mg  Mg222  1  0.451588  0.890069  0.700499  1
  Mg  Mg223  1  0.152749  0.552059  0.720569  1
  Mg  Mg224  1  0.436164  0.559623  0.680778  1
  Mg  Mg225  1  0.410377  0.229385  0.660628  1
  Mg  Mg226  1  0.918152  0.305212  0.711958  1
  Mg  Mg227  1  0.893872  0.975312  0.691809  1
  Mg  Mg228  1  0.868606  0.643958  0.672368  1
  Mg  Mg229  1  0.250176  0.971729  0.711979  1
  Mg  Mg230  1  0.225564  0.640506  0.692265  1
  Mg  Mg231  1  0.580422  0.637631  0.712250  1
  Mg  Mg232  1  0.201948  0.311034  0.672013  1
  Mg  Mg233  1  0.561232  0.308516  0.691807  1
  Mg  Mg234  1  0.534611  0.977567  0.671970  1
  Mg  Mg235  1  0.781570  0.391183  0.690606  1
  Mg  Mg236  1  0.755833  0.061196  0.670220  1
  Mg  Mg237  1  0.799600  0.720627  0.710663  1
  Mg  Mg238  1  0.114738  0.058090  0.690745  1
  Mg  Mg239  1  0.088207  0.727717  0.670316  1
  Mg  Mg240  1  0.446179  0.724462  0.690686  1
  Mg  Mg241  1  0.136663  0.387944  0.710638  1
  Mg  Mg242  1  0.423025  0.394711  0.670362  1
  Mg  Mg243  1  0.469750  0.053890  0.710665  1
  Mg  Mg244  1  0.001967  0.474864  0.689230  1
  Mg  Mg245  1  0.976754  0.145006  0.668807  1
  Mg  Mg246  1  0.018874  0.803629  0.708454  1
  Mg  Mg247  1  0.334320  0.141247  0.689193  1
  Mg  Mg248  1  0.308775  0.811647  0.668790  1
  Mg  Mg249  1  0.665662  0.807852  0.689078  1
  Mg  Mg250  1  0.353742  0.471455  0.708929  1
  Mg  Mg251  1  0.644623  0.478438  0.668962  1
  Mg  Mg252  1  0.687913  0.136963  0.708527  1
