# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.83268392
_cell_length_b   16.77506912
_cell_length_c   46.11593381
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.10646790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg252
_cell_volume   12988.2996172
_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  0.213661  0.729596  0.322908  1
  Mg  Mg2  1  0.224496  0.372087  0.342770  1
  Mg  Mg3  1  0.372650  0.419120  0.302723  1
  Mg  Mg4  1  0.546994  0.396263  0.322908  1
  Mg  Mg5  1  0.205984  0.085787  0.302723  1
  Mg  Mg6  1  0.380328  0.062930  0.322908  1
  Mg  Mg7  1  0.391163  0.705420  0.342770  1
  Mg  Mg8  1  0.539317  0.752454  0.302723  1
  Mg  Mg9  1  0.713661  0.729596  0.322908  1
  Mg  Mg10  1  0.724496  0.372087  0.342770  1
  Mg  Mg11  1  0.872650  0.419120  0.302723  1
  Mg  Mg12  1  0.046994  0.396263  0.322908  1
  Mg  Mg13  1  0.557830  0.038754  0.342770  1
  Mg  Mg14  1  0.705984  0.085787  0.302723  1
  Mg  Mg15  1  0.880328  0.062930  0.322908  1
  Mg  Mg16  1  0.891163  0.705420  0.342770  1
  Mg  Mg17  1  0.039317  0.752454  0.302723  1
  Mg  Mg18  1  0.057830  0.038754  0.342770  1
  Mg  Mg19  1  0.261890  0.912017  0.310267  1
  Mg  Mg20  1  0.273164  0.553761  0.329196  1
  Mg  Mg21  1  0.423824  0.599777  0.289758  1
  Mg  Mg22  1  0.595223  0.578684  0.310267  1
  Mg  Mg23  1  0.257157  0.266444  0.289758  1
  Mg  Mg24  1  0.428556  0.245351  0.310267  1
  Mg  Mg25  1  0.439830  0.887095  0.329196  1
  Mg  Mg26  1  0.590491  0.933110  0.289758  1
  Mg  Mg27  1  0.761890  0.912017  0.310267  1
  Mg  Mg28  1  0.773164  0.553761  0.329196  1
  Mg  Mg29  1  0.923824  0.599777  0.289758  1
  Mg  Mg30  1  0.095223  0.578684  0.310267  1
  Mg  Mg31  1  0.606497  0.220428  0.329196  1
  Mg  Mg32  1  0.757157  0.266444  0.289758  1
  Mg  Mg33  1  0.928556  0.245351  0.310267  1
  Mg  Mg34  1  0.939830  0.887095  0.329196  1
  Mg  Mg35  1  0.090491  0.933110  0.289758  1
  Mg  Mg36  1  0.106497  0.220428  0.329196  1
  Mg  Mg37  1  0.244105  0.659033  0.384097  1
  Mg  Mg38  1  0.254133  0.302873  0.405230  1
  Mg  Mg39  1  0.400603  0.349234  0.363765  1
  Mg  Mg40  1  0.577438  0.325700  0.384097  1
  Mg  Mg41  1  0.233937  0.015900  0.363765  1
  Mg  Mg42  1  0.410771  0.992366  0.384097  1
  Mg  Mg43  1  0.420800  0.636207  0.405230  1
  Mg  Mg44  1  0.567270  0.682567  0.363765  1
  Mg  Mg45  1  0.744105  0.659033  0.384097  1
  Mg  Mg46  1  0.754133  0.302873  0.405230  1
  Mg  Mg47  1  0.900603  0.349234  0.363765  1
  Mg  Mg48  1  0.077438  0.325700  0.384097  1
  Mg  Mg49  1  0.587467  0.969540  0.405230  1
  Mg  Mg50  1  0.733937  0.015900  0.363765  1
  Mg  Mg51  1  0.910771  0.992366  0.384097  1
  Mg  Mg52  1  0.920800  0.636207  0.405230  1
  Mg  Mg53  1  0.067270  0.682567  0.363765  1
  Mg  Mg54  1  0.087467  0.969540  0.405230  1
  Mg  Mg55  1  0.293003  0.841276  0.370929  1
  Mg  Mg56  1  0.302863  0.484810  0.391302  1
  Mg  Mg57  1  0.449529  0.531052  0.350434  1
  Mg  Mg58  1  0.626336  0.507942  0.370929  1
  Mg  Mg59  1  0.282863  0.197718  0.350434  1
  Mg  Mg60  1  0.459670  0.174609  0.370929  1
  Mg  Mg61  1  0.469530  0.818143  0.391302  1
  Mg  Mg62  1  0.616196  0.864385  0.350434  1
  Mg  Mg63  1  0.793003  0.841276  0.370929  1
  Mg  Mg64  1  0.802863  0.484810  0.391302  1
  Mg  Mg65  1  0.949529  0.531052  0.350434  1
  Mg  Mg66  1  0.126336  0.507942  0.370929  1
  Mg  Mg67  1  0.636196  0.151476  0.391302  1
  Mg  Mg68  1  0.782863  0.197718  0.350434  1
  Mg  Mg69  1  0.959670  0.174609  0.370929  1
  Mg  Mg70  1  0.969530  0.818143  0.391302  1
  Mg  Mg71  1  0.116196  0.864385  0.350434  1
  Mg  Mg72  1  0.136196  0.151476  0.391302  1
  Mg  Mg73  1  0.274700  0.589386  0.447180  1
  Mg  Mg74  1  0.285025  0.232999  0.468200  1
  Mg  Mg75  1  0.431258  0.279391  0.426337  1
  Mg  Mg76  1  0.608033  0.256053  0.447180  1
  Mg  Mg77  1  0.264591  0.946058  0.426337  1
  Mg  Mg78  1  0.441367  0.922719  0.447180  1
  Mg  Mg79  1  0.451692  0.566333  0.468200  1
  Mg  Mg80  1  0.597925  0.612724  0.426337  1
  Mg  Mg81  1  0.774700  0.589386  0.447180  1
  Mg  Mg82  1  0.785025  0.232999  0.468200  1
  Mg  Mg83  1  0.931258  0.279391  0.426337  1
  Mg  Mg84  1  0.108033  0.256053  0.447180  1
  Mg  Mg85  1  0.618358  0.899666  0.468200  1
  Mg  Mg86  1  0.764591  0.946058  0.426337  1
  Mg  Mg87  1  0.941367  0.922719  0.447180  1
  Mg  Mg88  1  0.951692  0.566333  0.468200  1
  Mg  Mg89  1  0.097925  0.612724  0.426337  1
  Mg  Mg90  1  0.118358  0.899666  0.468200  1
  Mg  Mg91  1  0.323380  0.771275  0.433380  1
  Mg  Mg92  1  0.333646  0.415059  0.454283  1
  Mg  Mg93  1  0.480013  0.461283  0.412523  1
  Mg  Mg94  1  0.656714  0.437942  0.433380  1
  Mg  Mg95  1  0.313347  0.127949  0.412523  1
  Mg  Mg96  1  0.490047  0.104609  0.433380  1
  Mg  Mg97  1  0.500312  0.748392  0.454283  1
  Mg  Mg98  1  0.646680  0.794616  0.412523  1
  Mg  Mg99  1  0.823380  0.771275  0.433380  1
  Mg  Mg100  1  0.833646  0.415059  0.454283  1
  Mg  Mg101  1  0.980013  0.461283  0.412523  1
  Mg  Mg102  1  0.156714  0.437942  0.433380  1
  Mg  Mg103  1  0.666979  0.081725  0.454283  1
  Mg  Mg104  1  0.813347  0.127949  0.412523  1
  Mg  Mg105  1  0.990047  0.104609  0.433380  1
  Mg  Mg106  1  1.000312  0.748392  0.454283  1
  Mg  Mg107  1  0.146680  0.794616  0.412523  1
  Mg  Mg108  1  0.166979  0.081725  0.454283  1
  Mg  Mg109  1  0.305500  0.519976  0.510204  1
  Mg  Mg110  1  0.315717  0.163487  0.531159  1
  Mg  Mg111  1  0.461948  0.209669  0.489274  1
  Mg  Mg112  1  0.638833  0.186642  0.510204  1
  Mg  Mg113  1  0.295282  0.876335  0.489274  1
  Mg  Mg114  1  0.472167  0.853309  0.510204  1
  Mg  Mg115  1  0.482384  0.496821  0.531159  1
  Mg  Mg116  1  0.628615  0.543002  0.489274  1
  Mg  Mg117  1  0.805500  0.519976  0.510204  1
  Mg  Mg118  1  0.815717  0.163487  0.531159  1
  Mg  Mg119  1  0.961948  0.209669  0.489274  1
  Mg  Mg120  1  0.138833  0.186642  0.510204  1
  Mg  Mg121  1  0.649051  0.830154  0.531159  1
  Mg  Mg122  1  0.795282  0.876335  0.489274  1
  Mg  Mg123  1  0.972167  0.853309  0.510204  1
  Mg  Mg124  1  0.982384  0.496821  0.531159  1
  Mg  Mg125  1  0.128615  0.543002  0.489274  1
  Mg  Mg126  1  0.149051  0.830154  0.531159  1
  Mg  Mg127  1  0.354190  0.701879  0.496341  1
  Mg  Mg128  1  0.364408  0.345519  0.517271  1
  Mg  Mg129  1  0.510639  0.391701  0.475385  1
  Mg  Mg130  1  0.687523  0.368546  0.496341  1
  Mg  Mg131  1  0.343972  0.058367  0.475385  1
  Mg  Mg132  1  0.520856  0.035213  0.496341  1
  Mg  Mg133  1  0.531074  0.678853  0.517271  1
  Mg  Mg134  1  0.677306  0.725034  0.475385  1
  Mg  Mg135  1  0.854190  0.701879  0.496341  1
  Mg  Mg136  1  0.864408  0.345519  0.517271  1
  Mg  Mg137  1  0.010639  0.391701  0.475385  1
  Mg  Mg138  1  0.187523  0.368546  0.496341  1
  Mg  Mg139  1  0.697741  0.012186  0.517271  1
  Mg  Mg140  1  0.843972  0.058367  0.475385  1
  Mg  Mg141  1  0.020856  0.035213  0.496341  1
  Mg  Mg142  1  0.031074  0.678853  0.517271  1
  Mg  Mg143  1  0.177306  0.725034  0.475385  1
  Mg  Mg144  1  0.197741  0.012186  0.517271  1
  Mg  Mg145  1  0.336309  0.450580  0.573164  1
  Mg  Mg146  1  0.346343  0.093905  0.594021  1
  Mg  Mg147  1  0.492711  0.140129  0.552261  1
  Mg  Mg148  1  0.669643  0.117246  0.573164  1
  Mg  Mg149  1  0.326044  0.806796  0.552261  1
  Mg  Mg150  1  0.502976  0.783913  0.573164  1
  Mg  Mg151  1  0.513009  0.427239  0.594021  1
  Mg  Mg152  1  0.659377  0.473463  0.552261  1
  Mg  Mg153  1  0.836309  0.450580  0.573164  1
  Mg  Mg154  1  0.846343  0.093905  0.594021  1
  Mg  Mg155  1  0.992711  0.140129  0.552261  1
  Mg  Mg156  1  0.169643  0.117246  0.573164  1
  Mg  Mg157  1  0.679676  0.760572  0.594021  1
  Mg  Mg158  1  0.826044  0.806796  0.552261  1
  Mg  Mg159  1  0.002976  0.783913  0.573164  1
  Mg  Mg160  1  0.013009  0.427239  0.594021  1
  Mg  Mg161  1  0.159377  0.473463  0.552261  1
  Mg  Mg162  1  0.179676  0.760572  0.594021  1
  Mg  Mg163  1  0.384989  0.632469  0.559364  1
  Mg  Mg164  1  0.395098  0.275797  0.580207  1
  Mg  Mg165  1  0.541331  0.322189  0.538344  1
  Mg  Mg166  1  0.718323  0.299136  0.559364  1
  Mg  Mg167  1  0.374665  0.988856  0.538344  1
  Mg  Mg168  1  0.551656  0.965802  0.559364  1
  Mg  Mg169  1  0.561765  0.609131  0.580207  1
  Mg  Mg170  1  0.707998  0.655522  0.538344  1
  Mg  Mg171  1  0.884989  0.632469  0.559364  1
  Mg  Mg172  1  0.895098  0.275797  0.580207  1
  Mg  Mg173  1  0.041331  0.322189  0.538344  1
  Mg  Mg174  1  0.218323  0.299136  0.559364  1
  Mg  Mg175  1  0.728431  0.942464  0.580207  1
  Mg  Mg176  1  0.874665  0.988856  0.538344  1
  Mg  Mg177  1  0.051656  0.965802  0.559364  1
  Mg  Mg178  1  0.061765  0.609131  0.580207  1
  Mg  Mg179  1  0.207998  0.655522  0.538344  1
  Mg  Mg180  1  0.228431  0.942464  0.580207  1
  Mg  Mg181  1  0.366686  0.380579  0.635616  1
  Mg  Mg182  1  0.376827  0.024137  0.656110  1
  Mg  Mg183  1  0.523493  0.070379  0.615242  1
  Mg  Mg184  1  0.700020  0.047246  0.635616  1
  Mg  Mg185  1  0.356827  0.737045  0.615242  1
  Mg  Mg186  1  0.533353  0.713913  0.635616  1
  Mg  Mg187  1  0.543493  0.357470  0.656110  1
  Mg  Mg188  1  0.690160  0.403712  0.615242  1
  Mg  Mg189  1  0.866686  0.380579  0.635616  1
  Mg  Mg190  1  0.876827  0.024137  0.656110  1
  Mg  Mg191  1  0.023493  0.070379  0.615242  1
  Mg  Mg192  1  0.200020  0.047246  0.635616  1
  Mg  Mg193  1  0.710160  0.690803  0.656110  1
  Mg  Mg194  1  0.856827  0.737045  0.615242  1
  Mg  Mg195  1  0.033353  0.713913  0.635616  1
  Mg  Mg196  1  0.043493  0.357470  0.656110  1
  Mg  Mg197  1  0.190160  0.403712  0.615242  1
  Mg  Mg198  1  0.210160  0.690803  0.656110  1
  Mg  Mg199  1  0.415585  0.562822  0.622447  1
  Mg  Mg200  1  0.425753  0.205954  0.642779  1
  Mg  Mg201  1  0.572223  0.252315  0.601314  1
  Mg  Mg202  1  0.748918  0.229489  0.622447  1
  Mg  Mg203  1  0.405556  0.918981  0.601314  1
  Mg  Mg204  1  0.582252  0.896155  0.622447  1
  Mg  Mg205  1  0.592420  0.539288  0.642779  1
  Mg  Mg206  1  0.738889  0.585648  0.601314  1
  Mg  Mg207  1  0.915585  0.562822  0.622447  1
  Mg  Mg208  1  0.925753  0.205954  0.642779  1
  Mg  Mg209  1  0.072223  0.252315  0.601314  1
  Mg  Mg210  1  0.248918  0.229489  0.622447  1
  Mg  Mg211  1  0.759086  0.872621  0.642779  1
  Mg  Mg212  1  0.905556  0.918981  0.601314  1
  Mg  Mg213  1  0.082252  0.896155  0.622447  1
  Mg  Mg214  1  0.092420  0.539288  0.642779  1
  Mg  Mg215  1  0.238889  0.585648  0.601314  1
  Mg  Mg216  1  0.259086  0.872621  0.642779  1
  Mg  Mg217  1  0.397800  0.309838  0.696278  1
  Mg  Mg218  1  0.402532  0.955411  0.716787  1
  Mg  Mg219  1  0.553192  0.001427  0.677348  1
  Mg  Mg220  1  0.731133  0.976504  0.696278  1
  Mg  Mg221  1  0.386526  0.668094  0.677348  1
  Mg  Mg222  1  0.564467  0.643171  0.696278  1
  Mg  Mg223  1  0.569199  0.288744  0.716787  1
  Mg  Mg224  1  0.719859  0.334760  0.677348  1
  Mg  Mg225  1  0.897800  0.309838  0.696278  1
  Mg  Mg226  1  0.902532  0.955411  0.716787  1
  Mg  Mg227  1  0.053192  0.001427  0.677348  1
  Mg  Mg228  1  0.231133  0.976504  0.696278  1
  Mg  Mg229  1  0.735866  0.622078  0.716787  1
  Mg  Mg230  1  0.886526  0.668094  0.677348  1
  Mg  Mg231  1  0.064467  0.643171  0.696278  1
  Mg  Mg232  1  0.069199  0.288744  0.716787  1
  Mg  Mg233  1  0.219859  0.334760  0.677348  1
  Mg  Mg234  1  0.235866  0.622078  0.716787  1
  Mg  Mg235  1  0.446028  0.492258  0.683637  1
  Mg  Mg236  1  0.453706  0.136068  0.703822  1
  Mg  Mg237  1  0.601860  0.183101  0.663774  1
  Mg  Mg238  1  0.779362  0.158925  0.683637  1
  Mg  Mg239  1  0.435193  0.849768  0.663774  1
  Mg  Mg240  1  0.612695  0.825592  0.683637  1
  Mg  Mg241  1  0.620372  0.469401  0.703822  1
  Mg  Mg242  1  0.768526  0.516434  0.663774  1
  Mg  Mg243  1  0.946028  0.492258  0.683637  1
  Mg  Mg244  1  0.953706  0.136068  0.703822  1
  Mg  Mg245  1  0.101860  0.183101  0.663774  1
  Mg  Mg246  1  0.279362  0.158925  0.683637  1
  Mg  Mg247  1  0.787039  0.802734  0.703822  1
  Mg  Mg248  1  0.935193  0.849768  0.663774  1
  Mg  Mg249  1  0.112695  0.825592  0.683637  1
  Mg  Mg250  1  0.120372  0.469401  0.703822  1
  Mg  Mg251  1  0.268526  0.516434  0.663774  1
  Mg  Mg252  1  0.287039  0.802734  0.703822  1
