# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.00566496
_cell_length_b   22.37903663
_cell_length_c   46.24927700
_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   13252.3376773
_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  0.024409  0.690294  0.285184  1
  Mg  Mg2  1  0.534606  0.494186  0.361264  1
  Mg  Mg3  1  0.636140  0.678323  0.301355  1
  Mg  Mg4  1  0.000460  0.202164  0.288745  1
  Mg  Mg5  1  0.948947  0.353214  0.305031  1
  Mg  Mg6  1  0.901973  0.501884  0.317486  1
  Mg  Mg7  1  0.350091  0.365728  0.290508  1
  Mg  Mg8  1  0.293123  0.515539  0.301334  1
  Mg  Mg9  1  0.244875  0.664982  0.315095  1
  Mg  Mg10  1  0.664827  0.034411  0.282146  1
  Mg  Mg11  1  0.616733  0.186071  0.306764  1
  Mg  Mg12  1  0.558535  0.328400  0.328932  1
  Mg  Mg13  1  0.977130  0.832635  0.301538  1
  Mg  Mg14  1  0.904768  0.984767  0.316780  1
  Mg  Mg15  1  0.360269  0.854910  0.287547  1
  Mg  Mg16  1  0.307744  0.998286  0.303789  1
  Mg  Mg17  1  0.224135  0.153413  0.321981  1
  Mg  Mg18  1  0.584399  0.823131  0.317612  1
  Mg  Mg19  1  0.190641  0.776231  0.273905  1
  Mg  Mg20  1  0.700413  0.570979  0.346630  1
  Mg  Mg21  1  0.795271  0.761636  0.286290  1
  Mg  Mg22  1  0.173102  0.285676  0.295519  1
  Mg  Mg23  1  0.131166  0.431136  0.313891  1
  Mg  Mg24  1  0.084083  0.578756  0.330264  1
  Mg  Mg25  1  0.521204  0.451930  0.298093  1
  Mg  Mg26  1  0.474399  0.592863  0.313161  1
  Mg  Mg27  1  0.422828  0.739028  0.329097  1
  Mg  Mg28  1  0.833612  0.114808  0.285545  1
  Mg  Mg29  1  0.787541  0.268264  0.313566  1
  Mg  Mg30  1  0.734478  0.416498  0.332331  1
  Mg  Mg31  1  0.127994  0.923788  0.291062  1
  Mg  Mg32  1  0.065621  0.068511  0.310007  1
  Mg  Mg33  1  0.380596  0.892310  0.350344  1
  Mg  Mg34  1  0.454076  0.098593  0.308341  1
  Mg  Mg35  1  0.387863  0.243204  0.326849  1
  Mg  Mg36  1  0.746113  0.902587  0.300883  1
  Mg  Mg37  1  0.860731  0.656459  0.331574  1
  Mg  Mg38  1  0.386451  0.457959  0.413301  1
  Mg  Mg39  1  0.493276  0.637340  0.377195  1
  Mg  Mg40  1  0.874242  0.150410  0.346700  1
  Mg  Mg41  1  0.820506  0.313899  0.376589  1
  Mg  Mg42  1  0.761048  0.464561  0.395250  1
  Mg  Mg43  1  0.200182  0.328886  0.358371  1
  Mg  Mg44  1  0.152542  0.478020  0.377993  1
  Mg  Mg45  1  0.106052  0.624148  0.395102  1
  Mg  Mg46  1  0.545613  0.971354  0.332850  1
  Mg  Mg47  1  0.489380  0.142669  0.370123  1
  Mg  Mg48  1  0.423286  0.291850  0.388880  1
  Mg  Mg49  1  0.814696  0.803763  0.349631  1
  Mg  Mg50  1  0.767290  0.944907  0.366533  1
  Mg  Mg51  1  0.201745  0.818534  0.335591  1
  Mg  Mg52  1  0.152776  0.967863  0.354171  1
  Mg  Mg53  1  0.096656  0.113408  0.374373  1
  Mg  Mg54  1  0.446890  0.782334  0.394119  1
  Mg  Mg55  1  0.043209  0.728985  0.348392  1
  Mg  Mg56  1  0.558353  0.537213  0.424376  1
  Mg  Mg57  1  0.655582  0.719569  0.364404  1
  Mg  Mg58  1  0.030064  0.246528  0.349612  1
  Mg  Mg59  1  0.973706  0.402662  0.366192  1
  Mg  Mg60  1  0.923880  0.551026  0.379898  1
  Mg  Mg61  1  0.362410  0.415774  0.350823  1
  Mg  Mg62  1  0.310040  0.564533  0.363582  1
  Mg  Mg63  1  0.265821  0.710535  0.379479  1
  Mg  Mg64  1  0.697875  0.072568  0.343239  1
  Mg  Mg65  1  0.657299  0.227365  0.370312  1
  Mg  Mg66  1  0.593565  0.374174  0.392202  1
  Mg  Mg67  1  -0.003890  0.878790  0.365061  1
  Mg  Mg68  1  0.934582  0.026959  0.381256  1
  Mg  Mg69  1  0.223461  0.860848  0.398744  1
  Mg  Mg70  1  0.336472  0.045405  0.365449  1
  Mg  Mg71  1  0.259361  0.199183  0.385266  1
  Mg  Mg72  1  0.605951  0.866444  0.381812  1
  Mg  Mg73  1  0.722835  0.615560  0.411488  1
  Mg  Mg74  1  0.247076  0.414606  0.485132  1
  Mg  Mg75  1  0.332791  0.607786  0.427393  1
  Mg  Mg76  1  0.723379  0.112702  0.405839  1
  Mg  Mg77  1  0.681171  0.271889  0.434073  1
  Mg  Mg78  1  0.616496  0.418200  0.456379  1
  Mg  Mg79  1  0.052373  0.291169  0.411646  1
  Mg  Mg80  1  -0.003314  0.447250  0.429078  1
  Mg  Mg81  1  0.947089  0.594174  0.444218  1
  Mg  Mg82  1  0.403021  0.936338  0.412989  1
  Mg  Mg83  1  0.359512  0.089534  0.428613  1
  Mg  Mg84  1  0.284756  0.243408  0.448843  1
  Mg  Mg85  1  0.677055  0.762997  0.428556  1
  Mg  Mg86  1  0.628844  0.910652  0.445675  1
  Mg  Mg87  1  0.064160  0.773081  0.412230  1
  Mg  Mg88  1  0.020182  0.921790  0.429278  1
  Mg  Mg89  1  0.960492  0.071384  0.445442  1
  Mg  Mg90  1  0.288031  0.754614  0.443783  1
  Mg  Mg91  1  0.881581  0.700337  0.396523  1
  Mg  Mg92  1  0.408199  0.501142  0.476257  1
  Mg  Mg93  1  0.515067  0.680707  0.441552  1
  Mg  Mg94  1  0.896596  0.193183  0.409020  1
  Mg  Mg95  1  0.842931  0.359071  0.440002  1
  Mg  Mg96  1  0.784428  0.507590  0.459271  1
  Mg  Mg97  1  0.224104  0.372172  0.421494  1
  Mg  Mg98  1  0.176848  0.521161  0.442071  1
  Mg  Mg99  1  0.128957  0.668163  0.459318  1
  Mg  Mg100  1  0.568578  0.016157  0.397537  1
  Mg  Mg101  1  0.513558  0.186634  0.432366  1
  Mg  Mg102  1  0.447184  0.335740  0.452354  1
  Mg  Mg103  1  0.837209  0.846864  0.414233  1
  Mg  Mg104  1  0.792747  0.988552  0.431672  1
  Mg  Mg105  1  0.086946  0.816920  0.476392  1
  Mg  Mg106  1  0.177059  0.011266  0.417616  1
  Mg  Mg107  1  0.121101  0.159309  0.437622  1
  Mg  Mg108  1  0.469457  0.827089  0.458294  1
  Mg  Mg109  1  0.581063  0.579963  0.487823  1
  Mg  Mg110  1  0.098670  0.376432  0.537788  1
  Mg  Mg111  1  0.199591  0.564738  0.505785  1
  Mg  Mg112  1  0.591358  0.060735  0.461535  1
  Mg  Mg113  1  0.537666  0.229117  0.495096  1
  Mg  Mg114  1  0.469998  0.379424  0.515744  1
  Mg  Mg115  1  0.919174  0.236611  0.471856  1
  Mg  Mg116  1  0.866712  0.401577  0.503803  1
  Mg  Mg117  1  0.807834  0.550895  0.522968  1
  Mg  Mg118  1  0.246220  0.904670  0.462142  1
  Mg  Mg119  1  0.199444  0.055624  0.480868  1
  Mg  Mg120  1  0.144208  0.202976  0.501143  1
  Mg  Mg121  1  0.537587  0.724891  0.505464  1
  Mg  Mg122  1  0.492396  0.871449  0.522275  1
  Mg  Mg123  1  0.904436  0.743962  0.461154  1
  Mg  Mg124  1  0.860734  0.890600  0.478810  1
  Mg  Mg125  1  0.816559  0.033310  0.496236  1
  Mg  Mg126  1  0.151972  0.712250  0.523220  1
  Mg  Mg127  1  0.745537  0.659249  0.475938  1
  Mg  Mg128  1  0.269458  0.458548  0.548748  1
  Mg  Mg129  1  0.355613  0.651448  0.491329  1
  Mg  Mg130  1  0.747112  0.155401  0.468132  1
  Mg  Mg131  1  0.704138  0.315367  0.498049  1
  Mg  Mg132  1  0.640314  0.461506  0.520374  1
  Mg  Mg133  1  0.075111  0.334274  0.474407  1
  Mg  Mg134  1  0.020084  0.489940  0.492781  1
  Mg  Mg135  1  0.970150  0.637768  0.508409  1
  Mg  Mg136  1  0.425483  0.980296  0.476300  1
  Mg  Mg137  1  0.382141  0.132863  0.492092  1
  Mg  Mg138  1  0.309269  0.285824  0.512165  1
  Mg  Mg139  1  0.699717  0.807144  0.492546  1
  Mg  Mg140  1  0.652135  0.954831  0.509397  1
  Mg  Mg141  1  0.927805  0.788057  0.525606  1
  Mg  Mg142  1  0.043539  0.965710  0.493382  1
  Mg  Mg143  1  0.984572  0.115219  0.509571  1
  Mg  Mg144  1  0.310644  0.799129  0.507775  1
  Mg  Mg145  1  0.430755  0.544761  0.539228  1
  Mg  Mg146  1  0.965174  0.322281  0.599038  1
  Mg  Mg147  1  0.043259  0.533853  0.556491  1
  Mg  Mg148  1  0.448694  0.023141  0.540188  1
  Mg  Mg149  1  0.405272  0.175793  0.555607  1
  Mg  Mg150  1  0.332363  0.329344  0.574691  1
  Mg  Mg151  1  0.769818  0.197099  0.530600  1
  Mg  Mg152  1  0.727892  0.358900  0.562189  1
  Mg  Mg153  1  0.664375  0.505368  0.584082  1
  Mg  Mg154  1  0.109835  0.861150  0.540637  1
  Mg  Mg155  1  0.066980  0.008845  0.557783  1
  Mg  Mg156  1  0.009684  0.157375  0.573445  1
  Mg  Mg157  1  0.378711  0.695857  0.555042  1
  Mg  Mg158  1  0.332920  0.843519  0.571692  1
  Mg  Mg159  1  0.768474  0.703553  0.539995  1
  Mg  Mg160  1  0.722987  0.851327  0.556457  1
  Mg  Mg161  1  0.675030  0.998065  0.573374  1
  Mg  Mg162  1  0.993066  0.681868  0.572377  1
  Mg  Mg163  1  0.604319  0.623669  0.551210  1
  Mg  Mg164  1  0.123020  0.420891  0.601124  1
  Mg  Mg165  1  0.222742  0.609006  0.569335  1
  Mg  Mg166  1  0.613605  0.103914  0.525360  1
  Mg  Mg167  1  0.561560  0.272175  0.558056  1
  Mg  Mg168  1  0.492641  0.423861  0.578804  1
  Mg  Mg169  1  0.941864  0.278470  0.535418  1
  Mg  Mg170  1  0.890743  0.445078  0.567262  1
  Mg  Mg171  1  0.831225  0.594818  0.586386  1
  Mg  Mg172  1  0.268886  0.948958  0.525793  1
  Mg  Mg173  1  0.223175  0.098472  0.544534  1
  Mg  Mg174  1  0.167744  0.245509  0.564743  1
  Mg  Mg175  1  0.560737  0.768973  0.569499  1
  Mg  Mg176  1  0.515662  0.913935  0.586313  1
  Mg  Mg177  1  0.791320  0.748140  0.604009  1
  Mg  Mg178  1  0.883977  0.934865  0.543191  1
  Mg  Mg179  1  0.839874  0.077154  0.560884  1
  Mg  Mg180  1  0.174804  0.756085  0.587060  1
  Mg  Mg181  1  0.293667  0.504019  0.612482  1
  Mg  Mg182  1  0.824626  0.281546  0.654720  1
  Mg  Mg183  1  0.915984  0.489346  0.630395  1
  Mg  Mg184  1  0.292870  0.991975  0.590294  1
  Mg  Mg185  1  0.248274  0.141475  0.608508  1
  Mg  Mg186  1  0.190553  0.290311  0.627732  1
  Mg  Mg187  1  0.635595  0.147183  0.588806  1
  Mg  Mg188  1  0.587480  0.317495  0.620843  1
  Mg  Mg189  1  0.516465  0.467830  0.641772  1
  Mg  Mg190  1  0.950994  0.832739  0.590111  1
  Mg  Mg191  1  0.906946  0.978634  0.607986  1
  Mg  Mg192  1  0.865194  0.120580  0.625479  1
  Mg  Mg193  1  0.246650  0.653108  0.633209  1
  Mg  Mg194  1  0.197706  0.797271  0.651108  1
  Mg  Mg195  1  0.628809  0.667326  0.614978  1
  Mg  Mg196  1  0.583949  0.811311  0.634341  1
  Mg  Mg197  1  0.537822  0.956029  0.649415  1
  Mg  Mg198  1  0.853837  0.638186  0.649727  1
  Mg  Mg199  1  0.454257  0.588880  0.601788  1
  Mg  Mg200  1  0.993793  0.368077  0.662973  1
  Mg  Mg201  1  0.067075  0.578213  0.620120  1
  Mg  Mg202  1  0.472025  0.066285  0.604125  1
  Mg  Mg203  1  0.428479  0.221681  0.618430  1
  Mg  Mg204  1  0.356365  0.373782  0.636515  1
  Mg  Mg205  1  0.794469  0.238557  0.592968  1
  Mg  Mg206  1  0.753656  0.403761  0.626142  1
  Mg  Mg207  1  0.689368  0.548283  0.647926  1
  Mg  Mg208  1  0.132822  0.904385  0.605424  1
  Mg  Mg209  1  0.091461  0.051782  0.621980  1
  Mg  Mg210  1  0.035407  0.200436  0.636419  1
  Mg  Mg211  1  0.401930  0.740433  0.618676  1
  Mg  Mg212  1  0.355032  0.885564  0.636212  1
  Mg  Mg213  1  0.651583  0.708761  0.680345  1
  Mg  Mg214  1  0.745910  0.894777  0.620680  1
  Mg  Mg215  1  0.696211  0.042625  0.637112  1
  Mg  Mg216  1  0.014037  0.726503  0.636060  1
  Mg  Mg217  1  0.155293  0.465050  0.664253  1
  Mg  Mg218  1  0.673640  0.235039  0.713147  1
  Mg  Mg219  1  0.786913  0.446507  0.689919  1
  Mg  Mg220  1  0.155250  0.949539  0.669897  1
  Mg  Mg221  1  0.113404  0.099460  0.684377  1
  Mg  Mg222  1  0.057472  0.247107  0.697881  1
  Mg  Mg223  1  0.494921  0.116207  0.666908  1
  Mg  Mg224  1  0.459229  0.270583  0.680049  1
  Mg  Mg225  1  0.392572  0.417036  0.697522  1
  Mg  Mg226  1  0.812576  0.792672  0.668471  1
  Mg  Mg227  1  0.760118  0.941367  0.684551  1
  Mg  Mg228  1  0.710672  0.089765  0.699860  1
  Mg  Mg229  1  0.090545  0.625353  0.682811  1
  Mg  Mg230  1  0.038036  0.767184  0.699661  1
  Mg  Mg231  1  0.477531  0.633496  0.663310  1
  Mg  Mg232  1  0.424560  0.781165  0.683715  1
  Mg  Mg233  1  0.375554  0.925913  0.699872  1
  Mg  Mg234  1  0.724511  0.587618  0.711206  1
  Mg  Mg235  1  0.320053  0.549168  0.677133  1
  Mg  Mg236  1  0.843212  0.317333  0.716740  1
  Mg  Mg237  1  0.948613  0.532243  0.692667  1
  Mg  Mg238  1  0.319279  0.036685  0.655437  1
  Mg  Mg239  1  0.272449  0.188854  0.671685  1
  Mg  Mg240  1  0.224064  0.332566  0.690137  1
  Mg  Mg241  1  0.662663  0.193155  0.650846  1
  Mg  Mg242  1  0.623628  0.362280  0.683347  1
  Mg  Mg243  1  0.548073  0.514219  0.703287  1
  Mg  Mg244  1  0.973827  0.877265  0.655492  1
  Mg  Mg245  1  0.927464  0.023288  0.672887  1
  Mg  Mg246  1  0.885323  0.165968  0.690369  1
  Mg  Mg247  1  0.273006  0.693480  0.698587  1
  Mg  Mg248  1  0.215320  0.839873  0.712966  1
  Mg  Mg249  1  0.501170  0.661363  0.725424  1
  Mg  Mg250  1  0.603212  0.855216  0.698346  1
  Mg  Mg251  1  0.544330  1.006295  0.709581  1
  Mg  Mg252  1  0.876426  0.681277  0.711562  1
