# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38322965
_cell_length_b   31.25066509
_cell_length_c   49.92174433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.10279397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   13076.151094
_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  0.371621  0.616029  0.321525  1
  Mg  Mg2  1  0.344141  0.286249  0.300596  1
  Mg  Mg3  1  0.312256  0.955950  0.282216  1
  Mg  Mg4  1  0.704754  0.282663  0.321532  1
  Mg  Mg5  1  0.678723  0.953367  0.300260  1
  Mg  Mg6  1  0.033566  0.949203  0.322556  1
  Mg  Mg7  1  0.723683  0.613529  0.342153  1
  Mg  Mg8  1  0.010642  0.619379  0.300603  1
  Mg  Mg9  1  0.057220  0.280346  0.342132  1
  Mg  Mg10  1  0.484656  0.363733  0.334512  1
  Mg  Mg11  1  0.462792  0.034764  0.312931  1
  Mg  Mg12  1  0.432541  0.705134  0.293607  1
  Mg  Mg13  1  0.818359  0.030537  0.334465  1
  Mg  Mg14  1  0.793828  0.700735  0.312672  1
  Mg  Mg15  1  0.151369  0.697003  0.334456  1
  Mg  Mg16  1  0.765228  0.371655  0.293635  1
  Mg  Mg17  1  0.127483  0.367651  0.312631  1
  Mg  Mg18  1  0.097833  0.037672  0.292804  1
  Mg  Mg19  1  0.358945  0.450192  0.310383  1
  Mg  Mg20  1  0.323089  0.122171  0.291130  1
  Mg  Mg21  1  0.378629  0.781137  0.333024  1
  Mg  Mg22  1  0.693367  0.117273  0.310458  1
  Mg  Mg23  1  0.657412  0.790109  0.291346  1
  Mg  Mg24  1  0.024650  0.783291  0.310367  1
  Mg  Mg25  1  0.711149  0.448130  0.332940  1
  Mg  Mg26  1  0.988691  0.456574  0.291436  1
  Mg  Mg27  1  0.045228  0.114711  0.332758  1
  Mg  Mg28  1  0.589274  0.534480  0.308352  1
  Mg  Mg29  1  0.552147  0.204397  0.290202  1
  Mg  Mg30  1  0.604646  0.866299  0.330291  1
  Mg  Mg31  1  0.922769  0.201488  0.308334  1
  Mg  Mg32  1  0.892023  0.872429  0.289195  1
  Mg  Mg33  1  0.253809  0.866683  0.308978  1
  Mg  Mg34  1  0.938919  0.531994  0.331274  1
  Mg  Mg35  1  0.219423  0.537804  0.290250  1
  Mg  Mg36  1  0.272405  0.198569  0.331107  1
  Mg  Mg37  1  0.438371  0.606397  0.383683  1
  Mg  Mg38  1  0.415871  0.276332  0.362868  1
  Mg  Mg39  1  0.390366  0.946887  0.342786  1
  Mg  Mg40  1  0.771876  0.273136  0.383670  1
  Mg  Mg41  1  0.747214  0.943059  0.363076  1
  Mg  Mg42  1  0.104790  0.939637  0.383934  1
  Mg  Mg43  1  0.795942  0.603095  0.404589  1
  Mg  Mg44  1  0.082602  0.609698  0.362894  1
  Mg  Mg45  1  0.129269  0.269773  0.404592  1
  Mg  Mg46  1  0.560600  0.354481  0.396315  1
  Mg  Mg47  1  0.535651  0.024480  0.375304  1
  Mg  Mg48  1  0.510967  0.694860  0.355109  1
  Mg  Mg49  1  0.894517  0.021154  0.396302  1
  Mg  Mg50  1  0.868376  0.691086  0.375159  1
  Mg  Mg51  1  0.227142  0.687792  0.396315  1
  Mg  Mg52  1  0.844224  0.361664  0.355059  1
  Mg  Mg53  1  0.201896  0.357706  0.375202  1
  Mg  Mg54  1  0.178730  0.027965  0.354423  1
  Mg  Mg55  1  0.425547  0.441350  0.373268  1
  Mg  Mg56  1  0.404247  0.111436  0.352398  1
  Mg  Mg57  1  0.450345  0.771596  0.394485  1
  Mg  Mg58  1  0.759315  0.108128  0.373320  1
  Mg  Mg59  1  0.736531  0.778086  0.352257  1
  Mg  Mg60  1  0.092112  0.774613  0.373256  1
  Mg  Mg61  1  0.783890  0.438323  0.394440  1
  Mg  Mg62  1  0.070581  0.444543  0.352342  1
  Mg  Mg63  1  0.117517  0.104886  0.394355  1
  Mg  Mg64  1  0.649313  0.525343  0.371376  1
  Mg  Mg65  1  0.629676  0.194738  0.350551  1
  Mg  Mg66  1  0.673178  0.854924  0.392212  1
  Mg  Mg67  1  0.982904  0.192027  0.371313  1
  Mg  Mg68  1  0.961274  0.861188  0.350346  1
  Mg  Mg69  1  0.316088  0.858623  0.371360  1
  Mg  Mg70  1  0.007493  0.521572  0.392422  1
  Mg  Mg71  1  0.296239  0.527961  0.350543  1
  Mg  Mg72  1  0.340805  0.188329  0.392419  1
  Mg  Mg73  1  0.509520  0.596416  0.446438  1
  Mg  Mg74  1  0.486052  0.266433  0.425519  1
  Mg  Mg75  1  0.462053  0.936384  0.404902  1
  Mg  Mg76  1  0.842925  0.263096  0.446438  1
  Mg  Mg77  1  0.818910  0.933026  0.425602  1
  Mg  Mg78  1  0.175774  0.929718  0.446579  1
  Mg  Mg79  1  0.866483  0.593102  0.467344  1
  Mg  Mg80  1  0.152638  0.599729  0.425521  1
  Mg  Mg81  1  0.199810  0.259767  0.467342  1
  Mg  Mg82  1  0.632749  0.344455  0.458896  1
  Mg  Mg83  1  0.608960  0.014465  0.437939  1
  Mg  Mg84  1  0.584764  0.684384  0.417160  1
  Mg  Mg85  1  0.965999  0.011108  0.458895  1
  Mg  Mg86  1  0.942041  0.681102  0.437872  1
  Mg  Mg87  1  0.299315  0.677777  0.458884  1
  Mg  Mg88  1  0.918172  0.351089  0.417156  1
  Mg  Mg89  1  0.275506  0.347771  0.437894  1
  Mg  Mg90  1  0.251450  0.017775  0.417035  1
  Mg  Mg91  1  0.497589  0.431460  0.435990  1
  Mg  Mg92  1  0.473991  0.101418  0.415129  1
  Mg  Mg93  1  0.521097  0.761411  0.457034  1
  Mg  Mg94  1  0.830988  0.098147  0.436002  1
  Mg  Mg95  1  0.806925  0.768021  0.415061  1
  Mg  Mg96  1  0.163997  0.764774  0.435992  1
  Mg  Mg97  1  0.854576  0.428104  0.457019  1
  Mg  Mg98  1  0.140553  0.434681  0.415103  1
  Mg  Mg99  1  0.187865  0.094766  0.456993  1
  Mg  Mg100  1  0.719721  0.515158  0.434085  1
  Mg  Mg101  1  0.696488  0.185096  0.413213  1
  Mg  Mg102  1  0.742771  0.845031  0.455021  1
  Mg  Mg103  1  0.053088  0.181790  0.434044  1
  Mg  Mg104  1  0.029300  0.851661  0.413133  1
  Mg  Mg105  1  0.386010  0.848436  0.434138  1
  Mg  Mg106  1  0.076447  0.511699  0.455104  1
  Mg  Mg107  1  0.363060  0.518362  0.413221  1
  Mg  Mg108  1  0.409764  0.178391  0.455098  1
  Mg  Mg109  1  0.580323  0.586442  0.509174  1
  Mg  Mg110  1  0.556725  0.256431  0.488265  1
  Mg  Mg111  1  0.532926  0.926410  0.467491  1
  Mg  Mg112  1  0.913607  0.253105  0.509177  1
  Mg  Mg113  1  0.889705  0.923063  0.488346  1
  Mg  Mg114  1  0.246600  0.919741  0.509257  1
  Mg  Mg115  1  0.937129  0.583094  0.530033  1
  Mg  Mg116  1  0.223413  0.589760  0.488262  1
  Mg  Mg117  1  0.270394  0.249763  0.530042  1
  Mg  Mg118  1  0.703729  0.334460  0.521596  1
  Mg  Mg119  1  0.680011  0.004437  0.500676  1
  Mg  Mg120  1  0.656513  0.674439  0.479781  1
  Mg  Mg121  1  0.036749  1.001108  0.521584  1
  Mg  Mg122  1  0.013451  0.671110  0.500622  1
  Mg  Mg123  1  0.370412  0.667804  0.521583  1
  Mg  Mg124  1  0.989902  0.341114  0.479784  1
  Mg  Mg125  1  0.346816  0.337776  0.500646  1
  Mg  Mg126  1  0.323038  0.007785  0.479736  1
  Mg  Mg127  1  0.568442  0.421422  0.498758  1
  Mg  Mg128  1  0.544806  0.091417  0.477840  1
  Mg  Mg129  1  0.591991  0.751431  0.519711  1
  Mg  Mg130  1  0.901650  0.088087  0.498759  1
  Mg  Mg131  1  0.878023  0.758068  0.477802  1
  Mg  Mg132  1  0.235009  0.754752  0.498756  1
  Mg  Mg133  1  0.925377  0.418088  0.519700  1
  Mg  Mg134  1  0.211551  0.424739  0.477827  1
  Mg  Mg135  1  0.258489  0.084753  0.519677  1
  Mg  Mg136  1  0.790056  0.505067  0.496864  1
  Mg  Mg137  1  0.766553  0.175067  0.475934  1
  Mg  Mg138  1  0.813493  0.835060  0.517733  1
  Mg  Mg139  1  0.123299  0.171736  0.496844  1
  Mg  Mg140  1  0.099602  0.841702  0.475931  1
  Mg  Mg141  1  0.456571  0.838394  0.496894  1
  Mg  Mg142  1  0.147037  0.501723  0.517782  1
  Mg  Mg143  1  0.433262  0.508389  0.475943  1
  Mg  Mg144  1  0.480253  0.168384  0.517782  1
  Mg  Mg145  1  0.651178  0.576484  0.571917  1
  Mg  Mg146  1  0.627463  0.246447  0.550947  1
  Mg  Mg147  1  0.603542  0.916404  0.530183  1
  Mg  Mg148  1  0.984339  0.243113  0.571928  1
  Mg  Mg149  1  0.960424  0.913082  0.551081  1
  Mg  Mg150  1  0.317324  0.909742  0.571999  1
  Mg  Mg151  1  0.008002  0.573107  0.592628  1
  Mg  Mg152  1  0.294281  0.579794  0.550940  1
  Mg  Mg153  1  0.341234  0.239762  0.592634  1
  Mg  Mg154  1  0.773907  0.324450  0.584389  1
  Mg  Mg155  1  0.750216  0.994380  0.563477  1
  Mg  Mg156  1  0.727262  0.664472  0.542493  1
  Mg  Mg157  1  0.106842  0.991082  0.584300  1
  Mg  Mg158  1  0.084011  0.661066  0.563381  1
  Mg  Mg159  1  0.440752  0.657851  0.584378  1
  Mg  Mg160  1  0.060545  0.331116  0.542501  1
  Mg  Mg161  1  0.417246  0.327768  0.563425  1
  Mg  Mg162  1  0.393553  0.997781  0.542418  1
  Mg  Mg163  1  0.639251  0.411383  0.561516  1
  Mg  Mg164  1  0.615431  0.081402  0.540524  1
  Mg  Mg165  1  0.663100  0.741475  0.582452  1
  Mg  Mg166  1  0.972295  0.078031  0.561518  1
  Mg  Mg167  1  0.948920  0.748088  0.540479  1
  Mg  Mg168  1  0.306009  0.744734  0.561523  1
  Mg  Mg169  1  0.996307  0.408074  0.582431  1
  Mg  Mg170  1  0.282275  0.414761  0.540509  1
  Mg  Mg171  1  0.329304  0.074748  0.582387  1
  Mg  Mg172  1  0.861196  0.495035  0.559598  1
  Mg  Mg173  1  0.837275  0.165061  0.538623  1
  Mg  Mg174  1  0.885240  0.825105  0.580353  1
  Mg  Mg175  1  0.194329  0.161700  0.559580  1
  Mg  Mg176  1  0.170675  0.831723  0.538629  1
  Mg  Mg177  1  0.527967  0.828393  0.559642  1
  Mg  Mg178  1  0.218647  0.491754  0.580476  1
  Mg  Mg179  1  0.504107  0.498405  0.538631  1
  Mg  Mg180  1  0.551830  0.158384  0.580484  1
  Mg  Mg181  1  0.722885  0.566438  0.634452  1
  Mg  Mg182  1  0.698346  0.236503  0.613607  1
  Mg  Mg183  1  0.674059  0.906382  0.592932  1
  Mg  Mg184  1  0.056121  0.233136  0.634492  1
  Mg  Mg185  1  0.031504  0.903075  0.613842  1
  Mg  Mg186  1  0.387476  0.899828  0.634657  1
  Mg  Mg187  1  0.079692  0.562713  0.654731  1
  Mg  Mg188  1  0.365309  0.569911  0.613582  1
  Mg  Mg189  1  0.412657  0.229238  0.654760  1
  Mg  Mg190  1  0.841873  0.314848  0.647166  1
  Mg  Mg191  1  0.820390  0.984164  0.626197  1
  Mg  Mg192  1  0.796852  0.654578  0.605307  1
  Mg  Mg193  1  0.173580  0.981403  0.646978  1
  Mg  Mg194  1  0.153944  0.650906  0.626150  1
  Mg  Mg195  1  0.508748  0.648300  0.647181  1
  Mg  Mg196  1  0.130123  0.321154  0.605304  1
  Mg  Mg197  1  0.486893  0.317562  0.626215  1
  Mg  Mg198  1  0.462494  0.987836  0.605099  1
  Mg  Mg199  1  0.710807  0.401428  0.624209  1
  Mg  Mg200  1  0.685759  0.071296  0.603163  1
  Mg  Mg201  1  0.733480  0.731411  0.645259  1
  Mg  Mg202  1  0.043969  0.068019  0.624195  1
  Mg  Mg203  1  0.019664  0.737919  0.603030  1
  Mg  Mg204  1  0.377915  0.734871  0.624256  1
  Mg  Mg205  1  0.066490  0.397838  0.645211  1
  Mg  Mg206  1  0.352686  0.404689  0.603122  1
  Mg  Mg207  1  0.399008  0.064712  0.645116  1
  Mg  Mg208  1  0.934532  0.484953  0.622251  1
  Mg  Mg209  1  0.908769  0.155027  0.601227  1
  Mg  Mg210  1  0.959026  0.814646  0.642417  1
  Mg  Mg211  1  0.267591  0.151667  0.622211  1
  Mg  Mg212  1  0.242877  0.821720  0.601208  1
  Mg  Mg213  1  0.601599  0.818389  0.622351  1
  Mg  Mg214  1  0.291204  0.481682  0.643050  1
  Mg  Mg215  1  0.575649  0.488384  0.601224  1
  Mg  Mg216  1  0.624509  0.148201  0.643110  1
  Mg  Mg217  1  0.791338  0.556168  0.697274  1
  Mg  Mg218  1  0.769702  0.226933  0.675015  1
  Mg  Mg219  1  0.746083  0.895924  0.655363  1
  Mg  Mg220  1  0.124372  0.222613  0.697292  1
  Mg  Mg221  1  0.098454  0.893449  0.676023  1
  Mg  Mg222  1  0.459177  0.889948  0.696934  1
  Mg  Mg223  1  0.157817  0.553662  0.715324  1
  Mg  Mg224  1  0.436448  0.560267  0.674990  1
  Mg  Mg225  1  0.490849  0.220037  0.715347  1
  Mg  Mg226  1  0.911697  0.303797  0.708373  1
  Mg  Mg227  1  0.880477  0.974677  0.689193  1
  Mg  Mg228  1  0.865353  0.643221  0.667231  1
  Mg  Mg229  1  0.251067  0.971768  0.707324  1
  Mg  Mg230  1  0.216242  0.642863  0.688539  1
  Mg  Mg231  1  0.577973  0.637088  0.708330  1
  Mg  Mg232  1  0.198334  0.309980  0.667419  1
  Mg  Mg233  1  0.549314  0.309193  0.688541  1
  Mg  Mg234  1  0.530824  0.977608  0.666415  1
  Mg  Mg235  1  0.777629  0.392468  0.687082  1
  Mg  Mg236  1  0.758009  0.061433  0.664756  1
  Mg  Mg237  1  0.812630  0.719382  0.706181  1
  Mg  Mg238  1  0.109861  0.058882  0.687063  1
  Mg  Mg239  1  0.091361  0.728367  0.664489  1
  Mg  Mg240  1  0.445387  0.726227  0.687153  1
  Mg  Mg241  1  0.144969  0.387094  0.706491  1
  Mg  Mg242  1  0.423984  0.395125  0.664687  1
  Mg  Mg243  1  0.480172  0.053969  0.706400  1
  Mg  Mg244  1  0.007565  0.474932  0.684537  1
  Mg  Mg245  1  0.984859  0.145587  0.663039  1
  Mg  Mg246  1  0.037512  0.804343  0.703923  1
  Mg  Mg247  1  0.340473  0.141330  0.684581  1
  Mg  Mg248  1  0.318610  0.812461  0.663045  1
  Mg  Mg249  1  0.676250  0.808737  0.684847  1
  Mg  Mg250  1  0.371391  0.471698  0.704747  1
  Mg  Mg251  1  0.651571  0.478993  0.663098  1
  Mg  Mg252  1  0.705510  0.138423  0.704725  1
