# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.50879879
_cell_length_b   22.79417735
_cell_length_c   46.33786358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.21896564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   16254.9780832
_cell_formula_units_Z   312
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  0.580027  0.348665  0.304639  1
  Mg  Mg2  1  0.246694  0.348665  0.304639  1
  Mg  Mg3  1  0.169999  0.860014  0.288289  1
  Mg  Mg4  1  0.913361  0.348665  0.304639  1
  Mg  Mg5  1  0.836666  0.860014  0.288289  1
  Mg  Mg6  1  0.503333  0.860014  0.288289  1
  Mg  Mg7  1  0.048801  0.722853  0.308319  1
  Mg  Mg8  1  0.715468  0.722853  0.308319  1
  Mg  Mg9  1  0.632694  0.230664  0.292756  1
  Mg  Mg10  1  0.382135  0.722853  0.308319  1
  Mg  Mg11  1  0.299360  0.230664  0.292756  1
  Mg  Mg12  1  0.966027  0.230664  0.292756  1
  Mg  Mg13  1  0.878066  0.605160  0.296673  1
  Mg  Mg14  1  0.544733  0.605160  0.296673  1
  Mg  Mg15  1  0.286050  0.094516  0.312597  1
  Mg  Mg16  1  0.211400  0.605160  0.296673  1
  Mg  Mg17  1  0.952717  0.094516  0.312597  1
  Mg  Mg18  1  0.619383  0.094516  0.312597  1
  Mg  Mg19  1  0.861811  0.468125  0.316723  1
  Mg  Mg20  1  0.528478  0.468125  0.316723  1
  Mg  Mg21  1  0.448774  0.975615  0.300590  1
  Mg  Mg22  1  0.195144  0.468125  0.316723  1
  Mg  Mg23  1  0.115440  0.975615  0.300590  1
  Mg  Mg24  1  0.782107  0.975615  0.300590  1
  Mg  Mg25  1  0.405799  0.332054  0.337105  1
  Mg  Mg26  1  0.072466  0.332054  0.337105  1
  Mg  Mg27  1  0.993762  0.840402  0.320326  1
  Mg  Mg28  1  0.739133  0.332054  0.337105  1
  Mg  Mg29  1  0.660428  0.840402  0.320326  1
  Mg  Mg30  1  0.327095  0.840402  0.320326  1
  Mg  Mg31  1  0.872280  0.705739  0.341111  1
  Mg  Mg32  1  0.538946  0.705739  0.341111  1
  Mg  Mg33  1  0.457721  0.213274  0.324802  1
  Mg  Mg34  1  0.205613  0.705739  0.341111  1
  Mg  Mg35  1  0.124387  0.213274  0.324802  1
  Mg  Mg36  1  0.791054  0.213274  0.324802  1
  Mg  Mg37  1  0.701030  0.586257  0.328588  1
  Mg  Mg38  1  0.367697  0.586257  0.328588  1
  Mg  Mg39  1  0.112106  0.078381  0.345284  1
  Mg  Mg40  1  0.034364  0.586257  0.328588  1
  Mg  Mg41  1  0.778773  0.078381  0.345284  1
  Mg  Mg42  1  0.445439  0.078381  0.345284  1
  Mg  Mg43  1  0.687239  0.451174  0.349269  1
  Mg  Mg44  1  0.353906  0.451174  0.349269  1
  Mg  Mg45  1  0.274548  0.959656  0.333210  1
  Mg  Mg46  1  0.020572  0.451174  0.349269  1
  Mg  Mg47  1  0.941215  0.959656  0.333210  1
  Mg  Mg48  1  0.607882  0.959656  0.333210  1
  Mg  Mg49  1  0.230983  0.315416  0.370106  1
  Mg  Mg50  1  0.897650  0.315416  0.370106  1
  Mg  Mg51  1  0.819004  0.824374  0.353664  1
  Mg  Mg52  1  0.564317  0.315416  0.370106  1
  Mg  Mg53  1  0.485671  0.824374  0.353664  1
  Mg  Mg54  1  0.152338  0.824374  0.353664  1
  Mg  Mg55  1  0.696671  0.688455  0.374025  1
  Mg  Mg56  1  0.363338  0.688455  0.374025  1
  Mg  Mg57  1  0.283163  0.196844  0.358028  1
  Mg  Mg58  1  0.030004  0.688455  0.374025  1
  Mg  Mg59  1  0.949830  0.196844  0.358028  1
  Mg  Mg60  1  0.616497  0.196844  0.358028  1
  Mg  Mg61  1  0.526041  0.570053  0.361951  1
  Mg  Mg62  1  0.192707  0.570053  0.361951  1
  Mg  Mg63  1  0.937010  0.061524  0.378534  1
  Mg  Mg64  1  0.859374  0.570053  0.361951  1
  Mg  Mg65  1  0.603676  0.061524  0.378534  1
  Mg  Mg66  1  0.270343  0.061524  0.378534  1
  Mg  Mg67  1  0.512574  0.434368  0.382514  1
  Mg  Mg68  1  0.179241  0.434368  0.382514  1
  Mg  Mg69  1  0.099555  0.942590  0.365999  1
  Mg  Mg70  1  0.845907  0.434368  0.382514  1
  Mg  Mg71  1  0.766222  0.942590  0.365999  1
  Mg  Mg72  1  0.432889  0.942590  0.365999  1
  Mg  Mg73  1  0.056266  0.298945  0.403479  1
  Mg  Mg74  1  0.722932  0.298945  0.403479  1
  Mg  Mg75  1  0.644020  0.807356  0.386709  1
  Mg  Mg76  1  0.389599  0.298945  0.403479  1
  Mg  Mg77  1  0.310687  0.807356  0.386709  1
  Mg  Mg78  1  0.977354  0.807356  0.386709  1
  Mg  Mg79  1  0.521277  0.671897  0.407516  1
  Mg  Mg80  1  0.187944  0.671897  0.407516  1
  Mg  Mg81  1  0.107995  0.180145  0.391034  1
  Mg  Mg82  1  0.854611  0.671897  0.407516  1
  Mg  Mg83  1  0.774662  0.180145  0.391034  1
  Mg  Mg84  1  0.441329  0.180145  0.391034  1
  Mg  Mg85  1  0.350605  0.553089  0.394964  1
  Mg  Mg86  1  0.017272  0.553089  0.394964  1
  Mg  Mg87  1  0.762224  0.044757  0.411799  1
  Mg  Mg88  1  0.683939  0.553089  0.394964  1
  Mg  Mg89  1  0.428891  0.044757  0.411799  1
  Mg  Mg90  1  0.095557  0.044757  0.411799  1
  Mg  Mg91  1  0.337654  0.417598  0.415819  1
  Mg  Mg92  1  0.004321  0.417598  0.415819  1
  Mg  Mg93  1  0.925018  0.926068  0.399382  1
  Mg  Mg94  1  0.670987  0.417598  0.415819  1
  Mg  Mg95  1  0.591685  0.926068  0.399382  1
  Mg  Mg96  1  0.258351  0.926068  0.399382  1
  Mg  Mg97  1  0.881217  0.282119  0.436964  1
  Mg  Mg98  1  0.547884  0.282119  0.436964  1
  Mg  Mg99  1  0.468825  0.790449  0.420207  1
  Mg  Mg100  1  0.214551  0.282119  0.436964  1
  Mg  Mg101  1  0.135492  0.790449  0.420207  1
  Mg  Mg102  1  0.802159  0.790449  0.420207  1
  Mg  Mg103  1  0.345996  0.654997  0.440974  1
  Mg  Mg104  1  0.012663  0.654997  0.440974  1
  Mg  Mg105  1  0.933011  0.163392  0.424601  1
  Mg  Mg106  1  0.679330  0.654997  0.440974  1
  Mg  Mg107  1  0.599678  0.163392  0.424601  1
  Mg  Mg108  1  0.266344  0.163392  0.424601  1
  Mg  Mg109  1  0.175329  0.536250  0.428558  1
  Mg  Mg110  1  0.841995  0.536250  0.428558  1
  Mg  Mg111  1  0.587250  0.027943  0.445375  1
  Mg  Mg112  1  0.508662  0.536250  0.428558  1
  Mg  Mg113  1  0.253917  0.027943  0.445375  1
  Mg  Mg114  1  0.920583  0.027943  0.445375  1
  Mg  Mg115  1  0.162735  0.400865  0.449432  1
  Mg  Mg116  1  0.829401  0.400865  0.449432  1
  Mg  Mg117  1  0.750034  0.909242  0.432811  1
  Mg  Mg118  1  0.496068  0.400865  0.449432  1
  Mg  Mg119  1  0.416700  0.909242  0.432811  1
  Mg  Mg120  1  0.083367  0.909242  0.432811  1
  Mg  Mg121  1  0.706258  0.265397  0.470466  1
  Mg  Mg122  1  0.372924  0.265397  0.470466  1
  Mg  Mg123  1  0.293812  0.773727  0.453649  1
  Mg  Mg124  1  0.039591  0.265397  0.470466  1
  Mg  Mg125  1  0.960479  0.773727  0.453649  1
  Mg  Mg126  1  0.627145  0.773727  0.453649  1
  Mg  Mg127  1  0.170873  0.638294  0.474521  1
  Mg  Mg128  1  0.837539  0.638294  0.474521  1
  Mg  Mg129  1  0.758014  0.146614  0.457976  1
  Mg  Mg130  1  0.504206  0.638294  0.474521  1
  Mg  Mg131  1  0.424680  0.146614  0.457976  1
  Mg  Mg132  1  0.091347  0.146614  0.457976  1
  Mg  Mg133  1  1.000264  0.519519  0.461967  1
  Mg  Mg134  1  0.666930  0.519519  0.461967  1
  Mg  Mg135  1  0.412297  0.011216  0.478843  1
  Mg  Mg136  1  0.333597  0.519519  0.461967  1
  Mg  Mg137  1  0.078963  0.011216  0.478843  1
  Mg  Mg138  1  0.745630  0.011216  0.478843  1
  Mg  Mg139  1  0.987762  0.384132  0.482905  1
  Mg  Mg140  1  0.654428  0.384132  0.482905  1
  Mg  Mg141  1  0.575038  0.892440  0.466271  1
  Mg  Mg142  1  0.321095  0.384132  0.482905  1
  Mg  Mg143  1  0.241704  0.892440  0.466271  1
  Mg  Mg144  1  0.908371  0.892440  0.466271  1
  Mg  Mg145  1  0.531244  0.248665  0.503955  1
  Mg  Mg146  1  0.197911  0.248665  0.503955  1
  Mg  Mg147  1  0.118718  0.756977  0.487148  1
  Mg  Mg148  1  0.864578  0.248665  0.503955  1
  Mg  Mg149  1  0.785385  0.756977  0.487148  1
  Mg  Mg150  1  0.452052  0.756977  0.487148  1
  Mg  Mg151  1  0.995796  0.621554  0.507975  1
  Mg  Mg152  1  0.662463  0.621554  0.507975  1
  Mg  Mg153  1  0.583034  0.129899  0.491504  1
  Mg  Mg154  1  0.329130  0.621554  0.507975  1
  Mg  Mg155  1  0.249701  0.129899  0.491504  1
  Mg  Mg156  1  0.916368  0.129899  0.491504  1
  Mg  Mg157  1  0.825199  0.502828  0.495537  1
  Mg  Mg158  1  0.491865  0.502828  0.495537  1
  Mg  Mg159  1  0.237324  0.994474  0.512330  1
  Mg  Mg160  1  0.158532  0.502828  0.495537  1
  Mg  Mg161  1  0.903990  0.994474  0.512330  1
  Mg  Mg162  1  0.570657  0.994474  0.512330  1
  Mg  Mg163  1  0.812792  0.367445  0.516422  1
  Mg  Mg164  1  0.479458  0.367445  0.516422  1
  Mg  Mg165  1  0.400034  0.875742  0.499749  1
  Mg  Mg166  1  0.146125  0.367445  0.516422  1
  Mg  Mg167  1  0.066700  0.875742  0.499749  1
  Mg  Mg168  1  0.733367  0.875742  0.499749  1
  Mg  Mg169  1  0.356266  0.231955  0.537456  1
  Mg  Mg170  1  0.022933  0.231955  0.537456  1
  Mg  Mg171  1  0.943668  0.740256  0.520657  1
  Mg  Mg172  1  0.689600  0.231955  0.537456  1
  Mg  Mg173  1  0.610335  0.740256  0.520657  1
  Mg  Mg174  1  0.277002  0.740256  0.520657  1
  Mg  Mg175  1  0.820769  0.604874  0.541541  1
  Mg  Mg176  1  0.487436  0.604874  0.541541  1
  Mg  Mg177  1  0.408073  0.113180  0.524992  1
  Mg  Mg178  1  0.154103  0.604874  0.541541  1
  Mg  Mg179  1  0.074740  0.113180  0.524992  1
  Mg  Mg180  1  0.741406  0.113180  0.524992  1
  Mg  Mg181  1  0.650204  0.486085  0.529021  1
  Mg  Mg182  1  0.316871  0.486085  0.529021  1
  Mg  Mg183  1  0.062314  0.977748  0.545856  1
  Mg  Mg184  1  0.983538  0.486085  0.529021  1
  Mg  Mg185  1  0.728980  0.977748  0.545856  1
  Mg  Mg186  1  0.395647  0.977748  0.545856  1
  Mg  Mg187  1  0.637788  0.350695  0.549933  1
  Mg  Mg188  1  0.304454  0.350695  0.549933  1
  Mg  Mg189  1  0.225003  0.859004  0.533206  1
  Mg  Mg190  1  0.971121  0.350695  0.549933  1
  Mg  Mg191  1  0.891669  0.859004  0.533206  1
  Mg  Mg192  1  0.558336  0.859004  0.533206  1
  Mg  Mg193  1  0.181283  0.215243  0.570950  1
  Mg  Mg194  1  0.847950  0.215243  0.570950  1
  Mg  Mg195  1  0.768574  0.723537  0.554115  1
  Mg  Mg196  1  0.514616  0.215243  0.570950  1
  Mg  Mg197  1  0.435240  0.723537  0.554115  1
  Mg  Mg198  1  0.101907  0.723537  0.554115  1
  Mg  Mg199  1  0.645726  0.588078  0.574912  1
  Mg  Mg200  1  0.312393  0.588078  0.574912  1
  Mg  Mg201  1  0.233103  0.096433  0.558466  1
  Mg  Mg202  1  0.979059  0.588078  0.574912  1
  Mg  Mg203  1  0.899770  0.096433  0.558466  1
  Mg  Mg204  1  0.566437  0.096433  0.558466  1
  Mg  Mg205  1  0.475203  0.469403  0.562554  1
  Mg  Mg206  1  0.141870  0.469403  0.562554  1
  Mg  Mg207  1  0.887306  0.960991  0.579262  1
  Mg  Mg208  1  0.808536  0.469403  0.562554  1
  Mg  Mg209  1  0.553973  0.960991  0.579262  1
  Mg  Mg210  1  0.220640  0.960991  0.579262  1
  Mg  Mg211  1  0.462798  0.334049  0.583368  1
  Mg  Mg212  1  0.129465  0.334049  0.583368  1
  Mg  Mg213  1  0.049900  0.842262  0.566693  1
  Mg  Mg214  1  0.796132  0.334049  0.583368  1
  Mg  Mg215  1  0.716567  0.842262  0.566693  1
  Mg  Mg216  1  0.383233  0.842262  0.566693  1
  Mg  Mg217  1  0.006217  0.198351  0.604408  1
  Mg  Mg218  1  0.672884  0.198351  0.604408  1
  Mg  Mg219  1  0.593466  0.706724  0.587704  1
  Mg  Mg220  1  0.339550  0.198351  0.604408  1
  Mg  Mg221  1  0.260133  0.706724  0.587704  1
  Mg  Mg222  1  0.926800  0.706724  0.587704  1
  Mg  Mg223  1  0.470711  0.571323  0.608509  1
  Mg  Mg224  1  0.137378  0.571323  0.608509  1
  Mg  Mg225  1  0.058211  0.079647  0.592040  1
  Mg  Mg226  1  0.804044  0.571323  0.608509  1
  Mg  Mg227  1  0.724878  0.079647  0.592040  1
  Mg  Mg228  1  0.391545  0.079647  0.592040  1
  Mg  Mg229  1  0.300229  0.452521  0.596090  1
  Mg  Mg230  1  0.966896  0.452521  0.596090  1
  Mg  Mg231  1  0.712179  0.944141  0.612818  1
  Mg  Mg232  1  0.633563  0.452521  0.596090  1
  Mg  Mg233  1  0.378846  0.944141  0.612818  1
  Mg  Mg234  1  0.045512  0.944141  0.612818  1
  Mg  Mg235  1  0.287827  0.317249  0.616910  1
  Mg  Mg236  1  0.954494  0.317249  0.616910  1
  Mg  Mg237  1  0.874747  0.825416  0.600109  1
  Mg  Mg238  1  0.621161  0.317249  0.616910  1
  Mg  Mg239  1  0.541414  0.825416  0.600109  1
  Mg  Mg240  1  0.208081  0.825416  0.600109  1
  Mg  Mg241  1  0.831474  0.181752  0.637754  1
  Mg  Mg242  1  0.498140  0.181752  0.637754  1
  Mg  Mg243  1  0.418224  0.689947  0.620959  1
  Mg  Mg244  1  0.164807  0.181752  0.637754  1
  Mg  Mg245  1  0.084891  0.689947  0.620959  1
  Mg  Mg246  1  0.751558  0.689947  0.620959  1
  Mg  Mg247  1  0.295970  0.554602  0.641528  1
  Mg  Mg248  1  0.962637  0.554602  0.641528  1
  Mg  Mg249  1  0.883363  0.062826  0.625357  1
  Mg  Mg250  1  0.629303  0.554602  0.641528  1
  Mg  Mg251  1  0.550030  0.062826  0.625357  1
  Mg  Mg252  1  0.216696  0.062826  0.625357  1
  Mg  Mg253  1  0.125404  0.436071  0.629519  1
  Mg  Mg254  1  0.792071  0.436071  0.629519  1
  Mg  Mg255  1  0.536978  0.927228  0.645844  1
  Mg  Mg256  1  0.458737  0.436071  0.629519  1
  Mg  Mg257  1  0.203644  0.927228  0.645844  1
  Mg  Mg258  1  0.870311  0.927228  0.645844  1
  Mg  Mg259  1  0.112585  0.300351  0.649859  1
  Mg  Mg260  1  0.779252  0.300351  0.649859  1
  Mg  Mg261  1  0.699524  0.808891  0.633489  1
  Mg  Mg262  1  0.445919  0.300351  0.649859  1
  Mg  Mg263  1  0.366191  0.808891  0.633489  1
  Mg  Mg264  1  0.032857  0.808891  0.633489  1
  Mg  Mg265  1  0.656624  0.164993  0.670741  1
  Mg  Mg266  1  0.323291  0.164993  0.670741  1
  Mg  Mg267  1  0.243192  0.673058  0.654223  1
  Mg  Mg268  1  0.989958  0.164993  0.670741  1
  Mg  Mg269  1  0.909859  0.673058  0.654223  1
  Mg  Mg270  1  0.576526  0.673058  0.654223  1
  Mg  Mg271  1  0.120739  0.538050  0.674795  1
  Mg  Mg272  1  0.787406  0.538050  0.674795  1
  Mg  Mg273  1  0.708820  0.045998  0.658571  1
  Mg  Mg274  1  0.454073  0.538050  0.674795  1
  Mg  Mg275  1  0.375487  0.045998  0.658571  1
  Mg  Mg276  1  0.042153  0.045998  0.658571  1
  Mg  Mg277  1  0.950314  0.419173  0.662702  1
  Mg  Mg278  1  0.616981  0.419173  0.662702  1
  Mg  Mg279  1  0.362278  0.911015  0.679154  1
  Mg  Mg280  1  0.283647  0.419173  0.662702  1
  Mg  Mg281  1  0.028944  0.911015  0.679154  1
  Mg  Mg282  1  0.695611  0.911015  0.679154  1
  Mg  Mg283  1  0.937669  0.283667  0.683056  1
  Mg  Mg284  1  0.604336  0.283667  0.683056  1
  Mg  Mg285  1  0.524182  0.791889  0.666265  1
  Mg  Mg286  1  0.271003  0.283667  0.683056  1
  Mg  Mg287  1  0.190849  0.791889  0.666265  1
  Mg  Mg288  1  0.857515  0.791889  0.666265  1
  Mg  Mg289  1  0.482409  0.148226  0.703231  1
  Mg  Mg290  1  0.149076  0.148226  0.703231  1
  Mg  Mg291  1  0.067930  0.657120  0.686885  1
  Mg  Mg292  1  0.815742  0.148226  0.703231  1
  Mg  Mg293  1  0.734597  0.657120  0.686885  1
  Mg  Mg294  1  0.401263  0.657120  0.686885  1
  Mg  Mg295  1  0.945286  0.521402  0.706833  1
  Mg  Mg296  1  0.611953  0.521402  0.706833  1
  Mg  Mg297  1  0.534324  0.028803  0.691191  1
  Mg  Mg298  1  0.278619  0.521402  0.706833  1
  Mg  Mg299  1  0.200991  0.028803  0.691191  1
  Mg  Mg300  1  0.867658  0.028803  0.691191  1
  Mg  Mg301  1  0.775521  0.401946  0.695221  1
  Mg  Mg302  1  0.442187  0.401946  0.695221  1
  Mg  Mg303  1  0.185681  0.891600  0.711177  1
  Mg  Mg304  1  0.108854  0.401946  0.695221  1
  Mg  Mg305  1  0.852348  0.891600  0.711177  1
  Mg  Mg306  1  0.519014  0.891600  0.711177  1
  Mg  Mg307  1  0.762696  0.266066  0.715131  1
  Mg  Mg308  1  0.429362  0.266066  0.715131  1
  Mg  Mg309  1  0.349113  0.775841  0.698896  1
  Mg  Mg310  1  0.096029  0.266066  0.715131  1
  Mg  Mg311  1  0.015779  0.775841  0.698896  1
  Mg  Mg312  1  0.682446  0.775841  0.698896  1
