# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.83788169
_cell_length_b   16.78803899
_cell_length_c   46.24675962
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10705255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   13039.2321497
_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  0.213734  0.729215  0.321540  1
  Mg  Mg2  1  0.224136  0.371795  0.341821  1
  Mg  Mg3  1  0.371706  0.419154  0.301158  1
  Mg  Mg4  1  0.547067  0.395881  0.321540  1
  Mg  Mg5  1  0.205039  0.085820  0.301158  1
  Mg  Mg6  1  0.380400  0.062548  0.321540  1
  Mg  Mg7  1  0.390803  0.705128  0.341821  1
  Mg  Mg8  1  0.538373  0.752487  0.301158  1
  Mg  Mg9  1  0.713734  0.729215  0.321540  1
  Mg  Mg10  1  0.724136  0.371795  0.341821  1
  Mg  Mg11  1  0.871706  0.419154  0.301158  1
  Mg  Mg12  1  0.047067  0.395881  0.321540  1
  Mg  Mg13  1  0.557469  0.038462  0.341821  1
  Mg  Mg14  1  0.705039  0.085820  0.301158  1
  Mg  Mg15  1  0.880400  0.062548  0.321540  1
  Mg  Mg16  1  0.890803  0.705128  0.341821  1
  Mg  Mg17  1  0.038373  0.752487  0.301158  1
  Mg  Mg18  1  0.057469  0.038462  0.341821  1
  Mg  Mg19  1  0.261831  0.911748  0.308492  1
  Mg  Mg20  1  0.272615  0.553621  0.328044  1
  Mg  Mg21  1  0.421774  0.600538  0.287910  1
  Mg  Mg22  1  0.595165  0.578415  0.308492  1
  Mg  Mg23  1  0.255107  0.267205  0.287910  1
  Mg  Mg24  1  0.428498  0.245082  0.308492  1
  Mg  Mg25  1  0.439282  0.886955  0.328044  1
  Mg  Mg26  1  0.588441  0.933871  0.287910  1
  Mg  Mg27  1  0.761831  0.911748  0.308492  1
  Mg  Mg28  1  0.772615  0.553621  0.328044  1
  Mg  Mg29  1  0.921774  0.600538  0.287910  1
  Mg  Mg30  1  0.095165  0.578415  0.308492  1
  Mg  Mg31  1  0.605949  0.220288  0.328044  1
  Mg  Mg32  1  0.755107  0.267205  0.287910  1
  Mg  Mg33  1  0.928498  0.245082  0.308492  1
  Mg  Mg34  1  0.939282  0.886955  0.328044  1
  Mg  Mg35  1  0.088441  0.933871  0.287910  1
  Mg  Mg36  1  0.105949  0.220288  0.328044  1
  Mg  Mg37  1  0.244127  0.658629  0.383231  1
  Mg  Mg38  1  0.254229  0.302319  0.404279  1
  Mg  Mg39  1  0.400676  0.348856  0.362734  1
  Mg  Mg40  1  0.577460  0.325296  0.383231  1
  Mg  Mg41  1  0.234009  0.015523  0.362734  1
  Mg  Mg42  1  0.410794  0.991963  0.383231  1
  Mg  Mg43  1  0.420896  0.635653  0.404279  1
  Mg  Mg44  1  0.567343  0.682190  0.362734  1
  Mg  Mg45  1  0.744127  0.658629  0.383231  1
  Mg  Mg46  1  0.754229  0.302319  0.404279  1
  Mg  Mg47  1  0.900676  0.348856  0.362734  1
  Mg  Mg48  1  0.077460  0.325296  0.383231  1
  Mg  Mg49  1  0.587563  0.968986  0.404279  1
  Mg  Mg50  1  0.734009  0.015523  0.362734  1
  Mg  Mg51  1  0.910794  0.991963  0.383231  1
  Mg  Mg52  1  0.920896  0.635653  0.404279  1
  Mg  Mg53  1  0.067343  0.682190  0.362734  1
  Mg  Mg54  1  0.087563  0.968986  0.404279  1
  Mg  Mg55  1  0.292861  0.840877  0.369809  1
  Mg  Mg56  1  0.302880  0.484346  0.390365  1
  Mg  Mg57  1  0.449365  0.530829  0.349193  1
  Mg  Mg58  1  0.626195  0.507543  0.369809  1
  Mg  Mg59  1  0.282699  0.197496  0.349193  1
  Mg  Mg60  1  0.459528  0.174210  0.369809  1
  Mg  Mg61  1  0.469546  0.817680  0.390365  1
  Mg  Mg62  1  0.616032  0.864162  0.349193  1
  Mg  Mg63  1  0.792861  0.840877  0.369809  1
  Mg  Mg64  1  0.802880  0.484346  0.390365  1
  Mg  Mg65  1  0.949365  0.530829  0.349193  1
  Mg  Mg66  1  0.126195  0.507543  0.369809  1
  Mg  Mg67  1  0.636213  0.151013  0.390365  1
  Mg  Mg68  1  0.782699  0.197496  0.349193  1
  Mg  Mg69  1  0.959528  0.174210  0.369809  1
  Mg  Mg70  1  0.969546  0.817680  0.390365  1
  Mg  Mg71  1  0.116032  0.864162  0.349193  1
  Mg  Mg72  1  0.136213  0.151013  0.390365  1
  Mg  Mg73  1  0.274726  0.588992  0.446106  1
  Mg  Mg74  1  0.285010  0.232543  0.467067  1
  Mg  Mg75  1  0.431246  0.278940  0.425271  1
  Mg  Mg76  1  0.608059  0.255658  0.446106  1
  Mg  Mg77  1  0.264579  0.945607  0.425271  1
  Mg  Mg78  1  0.441392  0.922325  0.446106  1
  Mg  Mg79  1  0.451677  0.565876  0.467067  1
  Mg  Mg80  1  0.597913  0.612273  0.425271  1
  Mg  Mg81  1  0.774726  0.588992  0.446106  1
  Mg  Mg82  1  0.785010  0.232543  0.467067  1
  Mg  Mg83  1  0.931246  0.278940  0.425271  1
  Mg  Mg84  1  0.108059  0.255658  0.446106  1
  Mg  Mg85  1  0.618343  0.899209  0.467067  1
  Mg  Mg86  1  0.764579  0.945607  0.425271  1
  Mg  Mg87  1  0.941392  0.922325  0.446106  1
  Mg  Mg88  1  0.951677  0.565876  0.467067  1
  Mg  Mg89  1  0.097913  0.612273  0.425271  1
  Mg  Mg90  1  0.118343  0.899209  0.467067  1
  Mg  Mg91  1  0.323401  0.770956  0.432282  1
  Mg  Mg92  1  0.333657  0.414625  0.453157  1
  Mg  Mg93  1  0.479958  0.460932  0.411449  1
  Mg  Mg94  1  0.656734  0.437622  0.432282  1
  Mg  Mg95  1  0.313291  0.127599  0.411449  1
  Mg  Mg96  1  0.490068  0.104289  0.432282  1
  Mg  Mg97  1  0.500323  0.747958  0.453157  1
  Mg  Mg98  1  0.646625  0.794266  0.411449  1
  Mg  Mg99  1  0.823401  0.770956  0.432282  1
  Mg  Mg100  1  0.833657  0.414625  0.453157  1
  Mg  Mg101  1  0.979958  0.460932  0.411449  1
  Mg  Mg102  1  0.156734  0.437622  0.432282  1
  Mg  Mg103  1  0.666990  0.081291  0.453157  1
  Mg  Mg104  1  0.813291  0.127599  0.411449  1
  Mg  Mg105  1  0.990068  0.104289  0.432282  1
  Mg  Mg106  1  1.000323  0.747958  0.453157  1
  Mg  Mg107  1  0.146625  0.794266  0.411449  1
  Mg  Mg108  1  0.166990  0.081291  0.453157  1
  Mg  Mg109  1  0.305483  0.519486  0.508939  1
  Mg  Mg110  1  0.315710  0.162978  0.529854  1
  Mg  Mg111  1  0.461927  0.209247  0.488044  1
  Mg  Mg112  1  0.638816  0.186152  0.508939  1
  Mg  Mg113  1  0.295261  0.875914  0.488044  1
  Mg  Mg114  1  0.472149  0.852819  0.508939  1
  Mg  Mg115  1  0.482377  0.496312  0.529854  1
  Mg  Mg116  1  0.628594  0.542580  0.488044  1
  Mg  Mg117  1  0.805483  0.519486  0.508939  1
  Mg  Mg118  1  0.815710  0.162978  0.529854  1
  Mg  Mg119  1  0.961927  0.209247  0.488044  1
  Mg  Mg120  1  0.138816  0.186152  0.508939  1
  Mg  Mg121  1  0.649044  0.829645  0.529854  1
  Mg  Mg122  1  0.795261  0.875914  0.488044  1
  Mg  Mg123  1  0.972149  0.852819  0.508939  1
  Mg  Mg124  1  0.982377  0.496312  0.529854  1
  Mg  Mg125  1  0.128594  0.542580  0.488044  1
  Mg  Mg126  1  0.149044  0.829645  0.529854  1
  Mg  Mg127  1  0.354172  0.701473  0.495074  1
  Mg  Mg128  1  0.364394  0.345045  0.515969  1
  Mg  Mg129  1  0.510611  0.391314  0.474159  1
  Mg  Mg130  1  0.687505  0.368140  0.495074  1
  Mg  Mg131  1  0.343944  0.057980  0.474159  1
  Mg  Mg132  1  0.520839  0.034806  0.495074  1
  Mg  Mg133  1  0.531061  0.678379  0.515969  1
  Mg  Mg134  1  0.677278  0.724647  0.474159  1
  Mg  Mg135  1  0.854172  0.701473  0.495074  1
  Mg  Mg136  1  0.864394  0.345045  0.515969  1
  Mg  Mg137  1  0.010611  0.391314  0.474159  1
  Mg  Mg138  1  0.187505  0.368140  0.495074  1
  Mg  Mg139  1  0.697727  0.011712  0.515969  1
  Mg  Mg140  1  0.843944  0.057980  0.474159  1
  Mg  Mg141  1  0.020839  0.034806  0.495074  1
  Mg  Mg142  1  0.031061  0.678379  0.515969  1
  Mg  Mg143  1  0.177278  0.724647  0.474159  1
  Mg  Mg144  1  0.197727  0.011712  0.515969  1
  Mg  Mg145  1  0.336254  0.450003  0.571731  1
  Mg  Mg146  1  0.346364  0.093360  0.592564  1
  Mg  Mg147  1  0.492665  0.139667  0.550856  1
  Mg  Mg148  1  0.669587  0.116670  0.571731  1
  Mg  Mg149  1  0.325998  0.806334  0.550856  1
  Mg  Mg150  1  0.502920  0.783336  0.571731  1
  Mg  Mg151  1  0.513030  0.426693  0.592564  1
  Mg  Mg152  1  0.659332  0.473001  0.550856  1
  Mg  Mg153  1  0.836254  0.450003  0.571731  1
  Mg  Mg154  1  0.846364  0.093360  0.592564  1
  Mg  Mg155  1  0.992665  0.139667  0.550856  1
  Mg  Mg156  1  0.169587  0.116670  0.571731  1
  Mg  Mg157  1  0.679697  0.760026  0.592564  1
  Mg  Mg158  1  0.825998  0.806334  0.550856  1
  Mg  Mg159  1  0.002920  0.783336  0.571731  1
  Mg  Mg160  1  0.013030  0.426693  0.592564  1
  Mg  Mg161  1  0.159332  0.473001  0.550856  1
  Mg  Mg162  1  0.179697  0.760026  0.592564  1
  Mg  Mg163  1  0.384929  0.631967  0.557907  1
  Mg  Mg164  1  0.395076  0.275352  0.578742  1
  Mg  Mg165  1  0.541311  0.321749  0.536946  1
  Mg  Mg166  1  0.718263  0.298634  0.557907  1
  Mg  Mg167  1  0.374645  0.988416  0.536946  1
  Mg  Mg168  1  0.551596  0.965300  0.557907  1
  Mg  Mg169  1  0.561742  0.608685  0.578742  1
  Mg  Mg170  1  0.707978  0.655083  0.536946  1
  Mg  Mg171  1  0.884929  0.631967  0.557907  1
  Mg  Mg172  1  0.895076  0.275352  0.578742  1
  Mg  Mg173  1  0.041311  0.321749  0.536946  1
  Mg  Mg174  1  0.218263  0.298634  0.557907  1
  Mg  Mg175  1  0.728409  0.942019  0.578742  1
  Mg  Mg176  1  0.874645  0.988416  0.536946  1
  Mg  Mg177  1  0.051596  0.965300  0.557907  1
  Mg  Mg178  1  0.061742  0.608685  0.578742  1
  Mg  Mg179  1  0.207978  0.655083  0.536946  1
  Mg  Mg180  1  0.228409  0.942019  0.578742  1
  Mg  Mg181  1  0.366794  0.380082  0.634204  1
  Mg  Mg182  1  0.376956  0.023463  0.654820  1
  Mg  Mg183  1  0.523442  0.069946  0.613647  1
  Mg  Mg184  1  0.700127  0.046749  0.634204  1
  Mg  Mg185  1  0.356775  0.736613  0.613647  1
  Mg  Mg186  1  0.533460  0.713415  0.634204  1
  Mg  Mg187  1  0.543623  0.356796  0.654820  1
  Mg  Mg188  1  0.690109  0.403279  0.613647  1
  Mg  Mg189  1  0.866794  0.380082  0.634204  1
  Mg  Mg190  1  0.876956  0.023463  0.654820  1
  Mg  Mg191  1  0.023442  0.069946  0.613647  1
  Mg  Mg192  1  0.200127  0.046749  0.634204  1
  Mg  Mg193  1  0.710290  0.690130  0.654820  1
  Mg  Mg194  1  0.856775  0.736613  0.613647  1
  Mg  Mg195  1  0.033460  0.713415  0.634204  1
  Mg  Mg196  1  0.043623  0.356796  0.654820  1
  Mg  Mg197  1  0.190109  0.403279  0.613647  1
  Mg  Mg198  1  0.210290  0.690130  0.654820  1
  Mg  Mg199  1  0.415528  0.562329  0.620782  1
  Mg  Mg200  1  0.425646  0.205436  0.641279  1
  Mg  Mg201  1  0.572092  0.251973  0.599734  1
  Mg  Mg202  1  0.748861  0.228996  0.620782  1
  Mg  Mg203  1  0.405425  0.918639  0.599734  1
  Mg  Mg204  1  0.582194  0.895663  0.620782  1
  Mg  Mg205  1  0.592312  0.538769  0.641279  1
  Mg  Mg206  1  0.738759  0.585306  0.599734  1
  Mg  Mg207  1  0.915528  0.562329  0.620782  1
  Mg  Mg208  1  0.925646  0.205436  0.641279  1
  Mg  Mg209  1  0.072092  0.251973  0.599734  1
  Mg  Mg210  1  0.248861  0.228996  0.620782  1
  Mg  Mg211  1  0.758979  0.872102  0.641279  1
  Mg  Mg212  1  0.905425  0.918639  0.599734  1
  Mg  Mg213  1  0.082194  0.895663  0.620782  1
  Mg  Mg214  1  0.092312  0.538769  0.641279  1
  Mg  Mg215  1  0.238759  0.585306  0.599734  1
  Mg  Mg216  1  0.258979  0.872102  0.641279  1
  Mg  Mg217  1  0.397823  0.309210  0.695520  1
  Mg  Mg218  1  0.404547  0.953754  0.716103  1
  Mg  Mg219  1  0.553706  0.000671  0.675969  1
  Mg  Mg220  1  0.731157  0.975877  0.695520  1
  Mg  Mg221  1  0.387039  0.667337  0.675969  1
  Mg  Mg222  1  0.564490  0.642544  0.695520  1
  Mg  Mg223  1  0.571214  0.287087  0.716103  1
  Mg  Mg224  1  0.720373  0.334004  0.675969  1
  Mg  Mg225  1  0.897823  0.309210  0.695520  1
  Mg  Mg226  1  0.904547  0.953754  0.716103  1
  Mg  Mg227  1  0.053706  0.000671  0.675969  1
  Mg  Mg228  1  0.231157  0.975877  0.695520  1
  Mg  Mg229  1  0.737881  0.620421  0.716103  1
  Mg  Mg230  1  0.887039  0.667337  0.675969  1
  Mg  Mg231  1  0.064490  0.642544  0.695520  1
  Mg  Mg232  1  0.071214  0.287087  0.716103  1
  Mg  Mg233  1  0.220373  0.334004  0.675969  1
  Mg  Mg234  1  0.237881  0.620421  0.716103  1
  Mg  Mg235  1  0.445921  0.491744  0.682473  1
  Mg  Mg236  1  0.454615  0.135138  0.702855  1
  Mg  Mg237  1  0.602185  0.182497  0.662192  1
  Mg  Mg238  1  0.779254  0.158411  0.682473  1
  Mg  Mg239  1  0.435519  0.849164  0.662192  1
  Mg  Mg240  1  0.612588  0.825077  0.682473  1
  Mg  Mg241  1  0.621282  0.468472  0.702855  1
  Mg  Mg242  1  0.768852  0.515830  0.662192  1
  Mg  Mg243  1  0.945921  0.491744  0.682473  1
  Mg  Mg244  1  0.954615  0.135138  0.702855  1
  Mg  Mg245  1  0.102185  0.182497  0.662192  1
  Mg  Mg246  1  0.279254  0.158411  0.682473  1
  Mg  Mg247  1  0.787949  0.801805  0.702855  1
  Mg  Mg248  1  0.935519  0.849164  0.662192  1
  Mg  Mg249  1  0.112588  0.825077  0.682473  1
  Mg  Mg250  1  0.121282  0.468472  0.702855  1
  Mg  Mg251  1  0.268852  0.515830  0.662192  1
  Mg  Mg252  1  0.287949  0.801805  0.702855  1
