# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.51783578
_cell_length_b   22.78876513
_cell_length_c   46.20117620
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.21708689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg312
_cell_volume   16212.2570708
_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  0.579030  0.348266  0.306650  1
  Mg  Mg2  1  0.245696  0.348266  0.306650  1
  Mg  Mg3  1  0.169854  0.860466  0.290473  1
  Mg  Mg4  1  0.912363  0.348266  0.306650  1
  Mg  Mg5  1  0.836521  0.860466  0.290473  1
  Mg  Mg6  1  0.503188  0.860466  0.290473  1
  Mg  Mg7  1  0.049178  0.723131  0.310077  1
  Mg  Mg8  1  0.715844  0.723131  0.310077  1
  Mg  Mg9  1  0.632342  0.231197  0.294994  1
  Mg  Mg10  1  0.382511  0.723131  0.310077  1
  Mg  Mg11  1  0.299009  0.231197  0.294994  1
  Mg  Mg12  1  0.965675  0.231197  0.294994  1
  Mg  Mg13  1  0.878895  0.605578  0.298960  1
  Mg  Mg14  1  0.545561  0.605578  0.298960  1
  Mg  Mg15  1  0.284944  0.094645  0.314401  1
  Mg  Mg16  1  0.212228  0.605578  0.298960  1
  Mg  Mg17  1  0.951611  0.094645  0.314401  1
  Mg  Mg18  1  0.618277  0.094645  0.314401  1
  Mg  Mg19  1  0.861714  0.468381  0.318557  1
  Mg  Mg20  1  0.528381  0.468381  0.318557  1
  Mg  Mg21  1  0.448191  0.975019  0.302525  1
  Mg  Mg22  1  0.195048  0.468381  0.318557  1
  Mg  Mg23  1  0.114858  0.975019  0.302525  1
  Mg  Mg24  1  0.781525  0.975019  0.302525  1
  Mg  Mg25  1  0.405518  0.332221  0.338589  1
  Mg  Mg26  1  0.072185  0.332221  0.338589  1
  Mg  Mg27  1  0.993531  0.840426  0.321837  1
  Mg  Mg28  1  0.738851  0.332221  0.338589  1
  Mg  Mg29  1  0.660197  0.840426  0.321837  1
  Mg  Mg30  1  0.326864  0.840426  0.321837  1
  Mg  Mg31  1  0.872345  0.706181  0.342424  1
  Mg  Mg32  1  0.539012  0.706181  0.342424  1
  Mg  Mg33  1  0.457171  0.213367  0.326317  1
  Mg  Mg34  1  0.205679  0.706181  0.342424  1
  Mg  Mg35  1  0.123837  0.213367  0.326317  1
  Mg  Mg36  1  0.790504  0.213367  0.326317  1
  Mg  Mg37  1  0.701290  0.586446  0.330115  1
  Mg  Mg38  1  0.367957  0.586446  0.330115  1
  Mg  Mg39  1  0.111755  0.078730  0.346527  1
  Mg  Mg40  1  0.034623  0.586446  0.330115  1
  Mg  Mg41  1  0.778422  0.078730  0.346527  1
  Mg  Mg42  1  0.445089  0.078730  0.346527  1
  Mg  Mg43  1  0.687231  0.451494  0.350492  1
  Mg  Mg44  1  0.353897  0.451494  0.350492  1
  Mg  Mg45  1  0.274265  0.959917  0.334643  1
  Mg  Mg46  1  0.020564  0.451494  0.350492  1
  Mg  Mg47  1  0.940932  0.959917  0.334643  1
  Mg  Mg48  1  0.607599  0.959917  0.334643  1
  Mg  Mg49  1  0.230792  0.315586  0.371339  1
  Mg  Mg50  1  0.897459  0.315586  0.371339  1
  Mg  Mg51  1  0.818779  0.824796  0.355069  1
  Mg  Mg52  1  0.564126  0.315586  0.371339  1
  Mg  Mg53  1  0.485446  0.824796  0.355069  1
  Mg  Mg54  1  0.152113  0.824796  0.355069  1
  Mg  Mg55  1  0.696474  0.688673  0.375136  1
  Mg  Mg56  1  0.363140  0.688673  0.375136  1
  Mg  Mg57  1  0.282919  0.197220  0.359450  1
  Mg  Mg58  1  0.029807  0.688673  0.375136  1
  Mg  Mg59  1  0.949585  0.197220  0.359450  1
  Mg  Mg60  1  0.616252  0.197220  0.359450  1
  Mg  Mg61  1  0.526367  0.570416  0.363398  1
  Mg  Mg62  1  0.193034  0.570416  0.363398  1
  Mg  Mg63  1  0.936604  0.061837  0.379742  1
  Mg  Mg64  1  0.859701  0.570416  0.363398  1
  Mg  Mg65  1  0.603270  0.061837  0.379742  1
  Mg  Mg66  1  0.269937  0.061837  0.379742  1
  Mg  Mg67  1  0.512701  0.434622  0.383712  1
  Mg  Mg68  1  0.179368  0.434622  0.383712  1
  Mg  Mg69  1  0.099416  0.942811  0.367200  1
  Mg  Mg70  1  0.846034  0.434622  0.383712  1
  Mg  Mg71  1  0.766082  0.942811  0.367200  1
  Mg  Mg72  1  0.432749  0.942811  0.367200  1
  Mg  Mg73  1  0.056239  0.299268  0.404701  1
  Mg  Mg74  1  0.722905  0.299268  0.404701  1
  Mg  Mg75  1  0.643904  0.807700  0.387892  1
  Mg  Mg76  1  0.389572  0.299268  0.404701  1
  Mg  Mg77  1  0.310571  0.807700  0.387892  1
  Mg  Mg78  1  0.977238  0.807700  0.387892  1
  Mg  Mg79  1  0.521081  0.672223  0.408676  1
  Mg  Mg80  1  0.187748  0.672223  0.408676  1
  Mg  Mg81  1  0.107644  0.180403  0.392191  1
  Mg  Mg82  1  0.854415  0.672223  0.408676  1
  Mg  Mg83  1  0.774310  0.180403  0.392191  1
  Mg  Mg84  1  0.440977  0.180403  0.392191  1
  Mg  Mg85  1  0.350691  0.553350  0.396132  1
  Mg  Mg86  1  0.017358  0.553350  0.396132  1
  Mg  Mg87  1  0.761968  0.045071  0.412949  1
  Mg  Mg88  1  0.684024  0.553350  0.396132  1
  Mg  Mg89  1  0.428635  0.045071  0.412949  1
  Mg  Mg90  1  0.095301  0.045071  0.412949  1
  Mg  Mg91  1  0.337705  0.417852  0.416964  1
  Mg  Mg92  1  0.004371  0.417852  0.416964  1
  Mg  Mg93  1  0.924992  0.926416  0.400574  1
  Mg  Mg94  1  0.671038  0.417852  0.416964  1
  Mg  Mg95  1  0.591658  0.926416  0.400574  1
  Mg  Mg96  1  0.258325  0.926416  0.400574  1
  Mg  Mg97  1  0.881094  0.282336  0.438274  1
  Mg  Mg98  1  0.547761  0.282336  0.438274  1
  Mg  Mg99  1  0.468628  0.790674  0.421496  1
  Mg  Mg100  1  0.214427  0.282336  0.438274  1
  Mg  Mg101  1  0.135295  0.790674  0.421496  1
  Mg  Mg102  1  0.801962  0.790674  0.421496  1
  Mg  Mg103  1  0.345780  0.655206  0.442244  1
  Mg  Mg104  1  0.012447  0.655206  0.442244  1
  Mg  Mg105  1  0.932744  0.163640  0.425929  1
  Mg  Mg106  1  0.679114  0.655206  0.442244  1
  Mg  Mg107  1  0.599411  0.163640  0.425929  1
  Mg  Mg108  1  0.266077  0.163640  0.425929  1
  Mg  Mg109  1  0.175281  0.536429  0.429885  1
  Mg  Mg110  1  0.841947  0.536429  0.429885  1
  Mg  Mg111  1  0.587016  0.028187  0.446706  1
  Mg  Mg112  1  0.508614  0.536429  0.429885  1
  Mg  Mg113  1  0.253683  0.028187  0.446706  1
  Mg  Mg114  1  0.920350  0.028187  0.446706  1
  Mg  Mg115  1  0.162752  0.401098  0.450779  1
  Mg  Mg116  1  0.829419  0.401098  0.450779  1
  Mg  Mg117  1  0.749930  0.909516  0.434121  1
  Mg  Mg118  1  0.496086  0.401098  0.450779  1
  Mg  Mg119  1  0.416596  0.909516  0.434121  1
  Mg  Mg120  1  0.083263  0.909516  0.434121  1
  Mg  Mg121  1  0.706139  0.265617  0.471881  1
  Mg  Mg122  1  0.372805  0.265617  0.471881  1
  Mg  Mg123  1  0.293628  0.773942  0.455011  1
  Mg  Mg124  1  0.039472  0.265617  0.471881  1
  Mg  Mg125  1  0.960295  0.773942  0.455011  1
  Mg  Mg126  1  0.626962  0.773942  0.455011  1
  Mg  Mg127  1  0.170679  0.638520  0.475914  1
  Mg  Mg128  1  0.837346  0.638520  0.475914  1
  Mg  Mg129  1  0.757763  0.146831  0.459345  1
  Mg  Mg130  1  0.504013  0.638520  0.475914  1
  Mg  Mg131  1  0.424430  0.146831  0.459345  1
  Mg  Mg132  1  0.091096  0.146831  0.459345  1
  Mg  Mg133  1  1.000221  0.519707  0.463332  1
  Mg  Mg134  1  0.666887  0.519707  0.463332  1
  Mg  Mg135  1  0.412080  0.011460  0.480257  1
  Mg  Mg136  1  0.333554  0.519707  0.463332  1
  Mg  Mg137  1  0.078747  0.011460  0.480257  1
  Mg  Mg138  1  0.745413  0.011460  0.480257  1
  Mg  Mg139  1  0.987756  0.384352  0.484320  1
  Mg  Mg140  1  0.654423  0.384352  0.484320  1
  Mg  Mg141  1  0.574907  0.892657  0.467664  1
  Mg  Mg142  1  0.321090  0.384352  0.484320  1
  Mg  Mg143  1  0.241574  0.892657  0.467664  1
  Mg  Mg144  1  0.908241  0.892657  0.467664  1
  Mg  Mg145  1  0.531103  0.248882  0.505457  1
  Mg  Mg146  1  0.197770  0.248882  0.505457  1
  Mg  Mg147  1  0.118528  0.757182  0.488612  1
  Mg  Mg148  1  0.864437  0.248882  0.505457  1
  Mg  Mg149  1  0.785195  0.757182  0.488612  1
  Mg  Mg150  1  0.451862  0.757182  0.488612  1
  Mg  Mg151  1  0.995614  0.621769  0.509443  1
  Mg  Mg152  1  0.662280  0.621769  0.509443  1
  Mg  Mg153  1  0.582780  0.130117  0.492996  1
  Mg  Mg154  1  0.328947  0.621769  0.509443  1
  Mg  Mg155  1  0.249447  0.130117  0.492996  1
  Mg  Mg156  1  0.916114  0.130117  0.492996  1
  Mg  Mg157  1  0.825137  0.503044  0.497044  1
  Mg  Mg158  1  0.491803  0.503044  0.497044  1
  Mg  Mg159  1  0.237105  0.994696  0.513840  1
  Mg  Mg160  1  0.158470  0.503044  0.497044  1
  Mg  Mg161  1  0.903771  0.994696  0.513840  1
  Mg  Mg162  1  0.570438  0.994696  0.513840  1
  Mg  Mg163  1  0.812786  0.367683  0.517950  1
  Mg  Mg164  1  0.479452  0.367683  0.517950  1
  Mg  Mg165  1  0.399898  0.875963  0.501247  1
  Mg  Mg166  1  0.146119  0.367683  0.517950  1
  Mg  Mg167  1  0.066565  0.875963  0.501247  1
  Mg  Mg168  1  0.733232  0.875963  0.501247  1
  Mg  Mg169  1  0.356124  0.232178  0.539058  1
  Mg  Mg170  1  0.022791  0.232178  0.539058  1
  Mg  Mg171  1  0.943486  0.740453  0.522233  1
  Mg  Mg172  1  0.689457  0.232178  0.539058  1
  Mg  Mg173  1  0.610152  0.740453  0.522233  1
  Mg  Mg174  1  0.276819  0.740453  0.522233  1
  Mg  Mg175  1  0.820599  0.605114  0.543155  1
  Mg  Mg176  1  0.487266  0.605114  0.543155  1
  Mg  Mg177  1  0.407808  0.113394  0.526582  1
  Mg  Mg178  1  0.153932  0.605114  0.543155  1
  Mg  Mg179  1  0.074475  0.113394  0.526582  1
  Mg  Mg180  1  0.741141  0.113394  0.526582  1
  Mg  Mg181  1  0.650159  0.486286  0.530606  1
  Mg  Mg182  1  0.316826  0.486286  0.530606  1
  Mg  Mg183  1  0.062078  0.977974  0.547489  1
  Mg  Mg184  1  0.983493  0.486286  0.530606  1
  Mg  Mg185  1  0.728745  0.977974  0.547489  1
  Mg  Mg186  1  0.395412  0.977974  0.547489  1
  Mg  Mg187  1  0.637774  0.350898  0.551559  1
  Mg  Mg188  1  0.304441  0.350898  0.551559  1
  Mg  Mg189  1  0.224873  0.859215  0.534795  1
  Mg  Mg190  1  0.971108  0.350898  0.551559  1
  Mg  Mg191  1  0.891540  0.859215  0.534795  1
  Mg  Mg192  1  0.558207  0.859215  0.534795  1
  Mg  Mg193  1  0.181121  0.215474  0.572650  1
  Mg  Mg194  1  0.847787  0.215474  0.572650  1
  Mg  Mg195  1  0.768381  0.723747  0.555762  1
  Mg  Mg196  1  0.514454  0.215474  0.572650  1
  Mg  Mg197  1  0.435047  0.723747  0.555762  1
  Mg  Mg198  1  0.101714  0.723747  0.555762  1
  Mg  Mg199  1  0.645533  0.588280  0.576551  1
  Mg  Mg200  1  0.312200  0.588280  0.576551  1
  Mg  Mg201  1  0.232803  0.096630  0.560133  1
  Mg  Mg202  1  0.978866  0.588280  0.576551  1
  Mg  Mg203  1  0.899470  0.096630  0.560133  1
  Mg  Mg204  1  0.566136  0.096630  0.560133  1
  Mg  Mg205  1  0.475179  0.469636  0.564258  1
  Mg  Mg206  1  0.141846  0.469636  0.564258  1
  Mg  Mg207  1  0.887073  0.961213  0.580950  1
  Mg  Mg208  1  0.808513  0.469636  0.564258  1
  Mg  Mg209  1  0.553740  0.961213  0.580950  1
  Mg  Mg210  1  0.220406  0.961213  0.580950  1
  Mg  Mg211  1  0.462801  0.334283  0.585069  1
  Mg  Mg212  1  0.129468  0.334283  0.585069  1
  Mg  Mg213  1  0.049766  0.842457  0.568384  1
  Mg  Mg214  1  0.796135  0.334283  0.585069  1
  Mg  Mg215  1  0.716432  0.842457  0.568384  1
  Mg  Mg216  1  0.383099  0.842457  0.568384  1
  Mg  Mg217  1  0.005951  0.198455  0.606193  1
  Mg  Mg218  1  0.672617  0.198455  0.606193  1
  Mg  Mg219  1  0.593210  0.706854  0.589547  1
  Mg  Mg220  1  0.339284  0.198455  0.606193  1
  Mg  Mg221  1  0.259877  0.706854  0.589547  1
  Mg  Mg222  1  0.926543  0.706854  0.589547  1
  Mg  Mg223  1  0.470451  0.571511  0.610339  1
  Mg  Mg224  1  0.137118  0.571511  0.610339  1
  Mg  Mg225  1  0.057872  0.079804  0.593895  1
  Mg  Mg226  1  0.803784  0.571511  0.610339  1
  Mg  Mg227  1  0.724539  0.079804  0.593895  1
  Mg  Mg228  1  0.391205  0.079804  0.593895  1
  Mg  Mg229  1  0.300243  0.452605  0.597910  1
  Mg  Mg230  1  0.966909  0.452605  0.597910  1
  Mg  Mg231  1  0.711863  0.944274  0.614651  1
  Mg  Mg232  1  0.633576  0.452605  0.597910  1
  Mg  Mg233  1  0.378530  0.944274  0.614651  1
  Mg  Mg234  1  0.045197  0.944274  0.614651  1
  Mg  Mg235  1  0.287899  0.317426  0.618758  1
  Mg  Mg236  1  0.954566  0.317426  0.618758  1
  Mg  Mg237  1  0.874628  0.825520  0.601904  1
  Mg  Mg238  1  0.621232  0.317426  0.618758  1
  Mg  Mg239  1  0.541295  0.825520  0.601904  1
  Mg  Mg240  1  0.207961  0.825520  0.601904  1
  Mg  Mg241  1  0.831343  0.182011  0.639523  1
  Mg  Mg242  1  0.498010  0.182011  0.639523  1
  Mg  Mg243  1  0.417861  0.690072  0.622727  1
  Mg  Mg244  1  0.164677  0.182011  0.639523  1
  Mg  Mg245  1  0.084528  0.690072  0.622727  1
  Mg  Mg246  1  0.751195  0.690072  0.622727  1
  Mg  Mg247  1  0.295747  0.554673  0.643075  1
  Mg  Mg248  1  0.962414  0.554673  0.643075  1
  Mg  Mg249  1  0.882959  0.062999  0.627175  1
  Mg  Mg250  1  0.629081  0.554673  0.643075  1
  Mg  Mg251  1  0.549625  0.062999  0.627175  1
  Mg  Mg252  1  0.216292  0.062999  0.627175  1
  Mg  Mg253  1  0.125523  0.436311  0.631364  1
  Mg  Mg254  1  0.792190  0.436311  0.631364  1
  Mg  Mg255  1  0.536514  0.927300  0.647421  1
  Mg  Mg256  1  0.458856  0.436311  0.631364  1
  Mg  Mg257  1  0.203181  0.927300  0.647421  1
  Mg  Mg258  1  0.869848  0.927300  0.647421  1
  Mg  Mg259  1  0.112484  0.300424  0.651451  1
  Mg  Mg260  1  0.779150  0.300424  0.651451  1
  Mg  Mg261  1  0.699442  0.809091  0.635275  1
  Mg  Mg262  1  0.445817  0.300424  0.651451  1
  Mg  Mg263  1  0.366109  0.809091  0.635275  1
  Mg  Mg264  1  0.032775  0.809091  0.635275  1
  Mg  Mg265  1  0.656585  0.165264  0.672264  1
  Mg  Mg266  1  0.323251  0.165264  0.672264  1
  Mg  Mg267  1  0.242853  0.673070  0.655980  1
  Mg  Mg268  1  0.989918  0.165264  0.672264  1
  Mg  Mg269  1  0.909520  0.673070  0.655980  1
  Mg  Mg270  1  0.576187  0.673070  0.655980  1
  Mg  Mg271  1  0.120344  0.538202  0.676281  1
  Mg  Mg272  1  0.787011  0.538202  0.676281  1
  Mg  Mg273  1  0.708586  0.046133  0.660345  1
  Mg  Mg274  1  0.453677  0.538202  0.676281  1
  Mg  Mg275  1  0.375252  0.046133  0.660345  1
  Mg  Mg276  1  0.041919  0.046133  0.660345  1
  Mg  Mg277  1  0.950271  0.419242  0.664413  1
  Mg  Mg278  1  0.616938  0.419242  0.664413  1
  Mg  Mg279  1  0.362105  0.911346  0.680619  1
  Mg  Mg280  1  0.283605  0.419242  0.664413  1
  Mg  Mg281  1  0.028772  0.911346  0.680619  1
  Mg  Mg282  1  0.695439  0.911346  0.680619  1
  Mg  Mg283  1  0.937758  0.283966  0.684545  1
  Mg  Mg284  1  0.604425  0.283966  0.684545  1
  Mg  Mg285  1  0.523957  0.792082  0.667808  1
  Mg  Mg286  1  0.271091  0.283966  0.684545  1
  Mg  Mg287  1  0.190624  0.792082  0.667808  1
  Mg  Mg288  1  0.857290  0.792082  0.667808  1
  Mg  Mg289  1  0.483071  0.149029  0.704231  1
  Mg  Mg290  1  0.149737  0.149029  0.704231  1
  Mg  Mg291  1  0.067236  0.657478  0.688045  1
  Mg  Mg292  1  0.816404  0.149029  0.704231  1
  Mg  Mg293  1  0.733903  0.657478  0.688045  1
  Mg  Mg294  1  0.400570  0.657478  0.688045  1
  Mg  Mg295  1  0.944782  0.521730  0.707573  1
  Mg  Mg296  1  0.611449  0.521730  0.707573  1
  Mg  Mg297  1  0.534221  0.028952  0.692387  1
  Mg  Mg298  1  0.278115  0.521730  0.707573  1
  Mg  Mg299  1  0.200888  0.028952  0.692387  1
  Mg  Mg300  1  0.867554  0.028952  0.692387  1
  Mg  Mg301  1  0.775883  0.402090  0.696411  1
  Mg  Mg302  1  0.442550  0.402090  0.696411  1
  Mg  Mg303  1  0.185241  0.891626  0.711959  1
  Mg  Mg304  1  0.109216  0.402090  0.696411  1
  Mg  Mg305  1  0.851908  0.891626  0.711959  1
  Mg  Mg306  1  0.518574  0.891626  0.711959  1
  Mg  Mg307  1  0.762643  0.265955  0.715910  1
  Mg  Mg308  1  0.429309  0.265955  0.715910  1
  Mg  Mg309  1  0.349451  0.776829  0.699942  1
  Mg  Mg310  1  0.095976  0.265955  0.715910  1
  Mg  Mg311  1  0.016118  0.776829  0.699942  1
  Mg  Mg312  1  0.682785  0.776829  0.699942  1
