# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.84649297
_cell_length_b   21.65160855
_cell_length_c   46.36114288
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.38430997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg264
_cell_volume   13508.4070865
_cell_formula_units_Z   264
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  0.359522  0.384056  0.298017  1
  Mg  Mg2  1  0.574601  0.371314  0.323016  1
  Mg  Mg3  1  0.970012  0.377500  0.310151  1
  Mg  Mg4  1  0.357580  0.884207  0.298064  1
  Mg  Mg5  1  0.754219  0.890920  0.284646  1
  Mg  Mg6  1  0.967546  0.877516  0.309846  1
  Mg  Mg7  1  0.357051  0.747670  0.322275  1
  Mg  Mg8  1  0.753163  0.753428  0.308842  1
  Mg  Mg9  1  0.144233  0.757021  0.296549  1
  Mg  Mg10  1  0.356653  0.247723  0.322170  1
  Mg  Mg11  1  0.753077  0.250054  0.309722  1
  Mg  Mg12  1  0.143010  0.257024  0.296586  1
  Mg  Mg13  1  0.270430  0.624125  0.316656  1
  Mg  Mg14  1  0.666966  0.628863  0.303992  1
  Mg  Mg15  1  0.057004  0.635966  0.290914  1
  Mg  Mg16  1  0.268810  0.124232  0.316525  1
  Mg  Mg17  1  0.667779  0.127301  0.304017  1
  Mg  Mg18  1  0.053836  0.136552  0.290943  1
  Mg  Mg19  1  0.577494  0.507393  0.299223  1
  Mg  Mg20  1  0.971940  0.513935  0.285948  1
  Mg  Mg21  1  0.183376  0.502413  0.311230  1
  Mg  Mg22  1  0.579252  0.006022  0.298687  1
  Mg  Mg23  1  0.966766  0.014323  0.285887  1
  Mg  Mg24  1  0.180495  0.002751  0.310964  1
  Mg  Mg25  1  0.181756  0.366690  0.335721  1
  Mg  Mg26  1  0.396223  0.355755  0.362596  1
  Mg  Mg27  1  0.788777  0.361199  0.348758  1
  Mg  Mg28  1  0.180905  0.866670  0.335783  1
  Mg  Mg29  1  0.575076  0.871510  0.322498  1
  Mg  Mg30  1  0.788600  0.861408  0.349278  1
  Mg  Mg31  1  0.179293  0.731023  0.361174  1
  Mg  Mg32  1  0.572841  0.736753  0.347558  1
  Mg  Mg33  1  0.965147  0.742625  0.334701  1
  Mg  Mg34  1  0.179321  0.231104  0.361212  1
  Mg  Mg35  1  0.572440  0.236415  0.347636  1
  Mg  Mg36  1  0.965641  0.242224  0.335233  1
  Mg  Mg37  1  0.092446  0.608626  0.355613  1
  Mg  Mg38  1  0.485976  0.613724  0.342676  1
  Mg  Mg39  1  0.878821  0.619027  0.329506  1
  Mg  Mg40  1  0.092236  0.108554  0.355730  1
  Mg  Mg41  1  0.485457  0.113575  0.342385  1
  Mg  Mg42  1  0.878917  0.118929  0.330167  1
  Mg  Mg43  1  0.398996  0.490774  0.337393  1
  Mg  Mg44  1  0.792280  0.496148  0.323988  1
  Mg  Mg45  1  0.005906  0.486023  0.350517  1
  Mg  Mg46  1  0.397997  0.990987  0.337054  1
  Mg  Mg47  1  0.791872  0.996167  0.324640  1
  Mg  Mg48  1  0.005457  0.985782  0.350569  1
  Mg  Mg49  1  0.003430  0.350587  0.375498  1
  Mg  Mg50  1  0.217709  0.339617  0.402048  1
  Mg  Mg51  1  0.610620  0.344951  0.388670  1
  Mg  Mg52  1  0.003082  0.850466  0.375486  1
  Mg  Mg53  1  0.395881  0.855875  0.362544  1
  Mg  Mg54  1  0.610242  0.844967  0.388644  1
  Mg  Mg55  1  0.000441  0.715102  0.400954  1
  Mg  Mg56  1  0.393753  0.720503  0.387666  1
  Mg  Mg57  1  0.786076  0.725777  0.374254  1
  Mg  Mg58  1  0.000560  0.215157  0.401146  1
  Mg  Mg59  1  0.393668  0.220418  0.387635  1
  Mg  Mg60  1  0.785982  0.225930  0.374682  1
  Mg  Mg61  1  0.913831  0.592388  0.395549  1
  Mg  Mg62  1  0.307034  0.597777  0.382170  1
  Mg  Mg63  1  0.699776  0.602693  0.368822  1
  Mg  Mg64  1  0.913804  0.092427  0.395820  1
  Mg  Mg65  1  0.306863  0.097836  0.382098  1
  Mg  Mg66  1  0.699185  0.103131  0.369138  1
  Mg  Mg67  1  0.220494  0.474920  0.376560  1
  Mg  Mg68  1  0.612976  0.480235  0.363750  1
  Mg  Mg69  1  0.827513  0.469416  0.389869  1
  Mg  Mg70  1  0.220290  0.974973  0.376442  1
  Mg  Mg71  1  0.612681  0.979971  0.363359  1
  Mg  Mg72  1  0.827245  0.969599  0.390230  1
  Mg  Mg73  1  0.824948  0.334354  0.415438  1
  Mg  Mg74  1  0.039535  0.323380  0.442486  1
  Mg  Mg75  1  0.432423  0.328749  0.429137  1
  Mg  Mg76  1  0.824842  0.834075  0.415743  1
  Mg  Mg77  1  0.217668  0.839601  0.402053  1
  Mg  Mg78  1  0.432343  0.828705  0.429141  1
  Mg  Mg79  1  0.822304  0.698815  0.441333  1
  Mg  Mg80  1  0.215330  0.704275  0.427936  1
  Mg  Mg81  1  0.607922  0.709599  0.414223  1
  Mg  Mg82  1  0.822372  0.198960  0.441505  1
  Mg  Mg83  1  0.215348  0.204270  0.427967  1
  Mg  Mg84  1  0.607663  0.209832  0.414354  1
  Mg  Mg85  1  0.735819  0.575967  0.435775  1
  Mg  Mg86  1  0.128687  0.581477  0.422337  1
  Mg  Mg87  1  0.521292  0.586958  0.408906  1
  Mg  Mg88  1  0.735629  0.076159  0.435917  1
  Mg  Mg89  1  0.128702  0.081466  0.422372  1
  Mg  Mg90  1  0.521136  0.086908  0.408793  1
  Mg  Mg91  1  0.042167  0.458725  0.416927  1
  Mg  Mg92  1  0.434929  0.464128  0.403418  1
  Mg  Mg93  1  0.649342  0.453208  0.430318  1
  Mg  Mg94  1  0.042147  0.958686  0.416939  1
  Mg  Mg95  1  0.434676  0.964210  0.403291  1
  Mg  Mg96  1  0.649066  0.953270  0.430247  1
  Mg  Mg97  1  0.646808  0.318032  0.455871  1
  Mg  Mg98  1  0.861331  0.307306  0.482780  1
  Mg  Mg99  1  0.254073  0.312622  0.469328  1
  Mg  Mg100  1  0.646610  0.817903  0.455878  1
  Mg  Mg101  1  0.039478  0.823335  0.442476  1
  Mg  Mg102  1  0.254010  0.812614  0.469339  1
  Mg  Mg103  1  0.644143  0.682651  0.481576  1
  Mg  Mg104  1  0.036926  0.688052  0.468156  1
  Mg  Mg105  1  0.429787  0.693453  0.454764  1
  Mg  Mg106  1  0.644088  0.182766  0.481611  1
  Mg  Mg107  1  0.037032  0.188036  0.468254  1
  Mg  Mg108  1  0.429763  0.193441  0.454755  1
  Mg  Mg109  1  0.557626  0.559882  0.476086  1
  Mg  Mg110  1  0.950384  0.565292  0.462665  1
  Mg  Mg111  1  0.343221  0.570658  0.449217  1
  Mg  Mg112  1  0.557505  0.059937  0.476029  1
  Mg  Mg113  1  0.950431  0.065282  0.462782  1
  Mg  Mg114  1  0.343146  0.070677  0.449191  1
  Mg  Mg115  1  0.863853  0.442517  0.457089  1
  Mg  Mg116  1  0.256641  0.447876  0.443627  1
  Mg  Mg117  1  0.471116  0.437130  0.470574  1
  Mg  Mg118  1  0.863833  0.942486  0.457184  1
  Mg  Mg119  1  0.256618  0.947874  0.443566  1
  Mg  Mg120  1  0.470967  0.937153  0.470505  1
  Mg  Mg121  1  0.468552  0.301863  0.496268  1
  Mg  Mg122  1  0.683027  0.291146  0.523053  1
  Mg  Mg123  1  0.075795  0.296484  0.509633  1
  Mg  Mg124  1  0.468475  0.801823  0.496271  1
  Mg  Mg125  1  0.861243  0.807160  0.482851  1
  Mg  Mg126  1  0.075718  0.796444  0.509636  1
  Mg  Mg127  1  0.465878  0.666561  0.521902  1
  Mg  Mg128  1  0.858633  0.671944  0.508474  1
  Mg  Mg129  1  0.251469  0.677303  0.495083  1
  Mg  Mg130  1  0.465858  0.166596  0.521905  1
  Mg  Mg131  1  0.858748  0.171986  0.508573  1
  Mg  Mg132  1  0.251505  0.177304  0.495116  1
  Mg  Mg133  1  0.379344  0.543786  0.516400  1
  Mg  Mg134  1  0.772135  0.549153  0.502952  1
  Mg  Mg135  1  0.164926  0.554520  0.489504  1
  Mg  Mg136  1  0.379293  0.043816  0.516378  1
  Mg  Mg137  1  0.772135  0.049153  0.502952  1
  Mg  Mg138  1  0.164977  0.054490  0.489526  1
  Mg  Mg139  1  0.685637  0.426363  0.497430  1
  Mg  Mg140  1  0.078392  0.431745  0.484002  1
  Mg  Mg141  1  0.292801  0.421003  0.510821  1
  Mg  Mg142  1  0.685522  0.926320  0.497331  1
  Mg  Mg143  1  0.078412  0.931710  0.483999  1
  Mg  Mg144  1  0.292765  0.921003  0.510788  1
  Mg  Mg145  1  0.290260  0.285692  0.536565  1
  Mg  Mg146  1  0.504792  0.274971  0.563428  1
  Mg  Mg147  1  0.897660  0.280404  0.550025  1
  Mg  Mg148  1  0.290197  0.785684  0.536576  1
  Mg  Mg149  1  0.682939  0.791001  0.523123  1
  Mg  Mg150  1  0.897462  0.780274  0.550033  1
  Mg  Mg151  1  0.287629  0.650430  0.562276  1
  Mg  Mg152  1  0.680418  0.655789  0.548815  1
  Mg  Mg153  1  0.073154  0.661177  0.535330  1
  Mg  Mg154  1  0.287652  0.150432  0.562338  1
  Mg  Mg155  1  0.680437  0.155821  0.548720  1
  Mg  Mg156  1  0.073303  0.161153  0.535399  1
  Mg  Mg157  1  0.201049  0.527649  0.556687  1
  Mg  Mg158  1  0.593886  0.533014  0.543239  1
  Mg  Mg159  1  0.986644  0.538424  0.529818  1
  Mg  Mg160  1  0.201124  0.027629  0.556713  1
  Mg  Mg161  1  0.593839  0.033024  0.543122  1
  Mg  Mg162  1  0.986765  0.038370  0.529875  1
  Mg  Mg163  1  0.507344  0.410255  0.537747  1
  Mg  Mg164  1  0.900127  0.415655  0.524328  1
  Mg  Mg165  1  0.114483  0.404853  0.551140  1
  Mg  Mg166  1  0.507238  0.910270  0.537650  1
  Mg  Mg167  1  0.900182  0.915540  0.524293  1
  Mg  Mg168  1  0.114507  0.904865  0.551149  1
  Mg  Mg169  1  0.111927  0.269601  0.576763  1
  Mg  Mg170  1  0.326602  0.258705  0.603851  1
  Mg  Mg171  1  0.719428  0.264232  0.590161  1
  Mg  Mg172  1  0.111847  0.769557  0.576767  1
  Mg  Mg173  1  0.504735  0.774926  0.563418  1
  Mg  Mg174  1  0.719322  0.763952  0.590466  1
  Mg  Mg175  1  0.109341  0.634179  0.602486  1
  Mg  Mg176  1  0.502103  0.639581  0.588977  1
  Mg  Mg177  1  0.894928  0.645099  0.575586  1
  Mg  Mg178  1  0.109594  0.134097  0.602613  1
  Mg  Mg179  1  0.502123  0.139620  0.588965  1
  Mg  Mg180  1  0.895204  0.145037  0.575657  1
  Mg  Mg181  1  0.022979  0.511348  0.596998  1
  Mg  Mg182  1  0.415583  0.516829  0.583567  1
  Mg  Mg183  1  0.808451  0.522339  0.570129  1
  Mg  Mg184  1  0.023134  0.011398  0.597110  1
  Mg  Mg185  1  0.415568  0.016841  0.583532  1
  Mg  Mg186  1  0.808641  0.022148  0.569987  1
  Mg  Mg187  1  0.328941  0.394032  0.577968  1
  Mg  Mg188  1  0.721966  0.399492  0.564571  1
  Mg  Mg189  1  0.936349  0.388708  0.591681  1
  Mg  Mg190  1  0.328922  0.894036  0.577937  1
  Mg  Mg191  1  0.721899  0.899346  0.564399  1
  Mg  Mg192  1  0.936607  0.888475  0.591550  1
  Mg  Mg193  1  0.934028  0.253339  0.617260  1
  Mg  Mg194  1  0.148389  0.242432  0.643360  1
  Mg  Mg195  1  0.541188  0.247840  0.630418  1
  Mg  Mg196  1  0.933650  0.753355  0.617233  1
  Mg  Mg197  1  0.326561  0.758689  0.603855  1
  Mg  Mg198  1  0.540840  0.747719  0.630406  1
  Mg  Mg199  1  0.931295  0.618071  0.642154  1
  Mg  Mg200  1  0.323776  0.623387  0.629344  1
  Mg  Mg201  1  0.716757  0.628891  0.616035  1
  Mg  Mg202  1  0.931589  0.118335  0.642545  1
  Mg  Mg203  1  0.323980  0.123334  0.629462  1
  Mg  Mg204  1  0.717025  0.128707  0.615674  1
  Mg  Mg205  1  0.844494  0.495613  0.637082  1
  Mg  Mg206  1  0.237236  0.500530  0.623734  1
  Mg  Mg207  1  0.630439  0.505918  0.610355  1
  Mg  Mg208  1  0.845085  0.995176  0.636766  1
  Mg  Mg209  1  0.237407  1.000470  0.623806  1
  Mg  Mg210  1  0.630466  0.005879  0.610084  1
  Mg  Mg211  1  0.150517  0.377803  0.618238  1
  Mg  Mg212  1  0.543829  0.383205  0.604950  1
  Mg  Mg213  1  0.758194  0.372529  0.631650  1
  Mg  Mg214  1  0.150602  0.877889  0.618269  1
  Mg  Mg215  1  0.543711  0.883149  0.604758  1
  Mg  Mg216  1  0.758288  0.872376  0.631222  1
  Mg  Mg217  1  0.755670  0.236899  0.656625  1
  Mg  Mg218  1  0.969194  0.226796  0.683406  1
  Mg  Mg219  1  0.363365  0.231637  0.670121  1
  Mg  Mg220  1  0.755493  0.737107  0.657146  1
  Mg  Mg221  1  0.148047  0.742552  0.643308  1
  Mg  Mg222  1  0.362515  0.731617  0.670183  1
  Mg  Mg223  1  0.751990  0.602158  0.681916  1
  Mg  Mg224  1  0.145274  0.607533  0.668511  1
  Mg  Mg225  1  0.538364  0.612283  0.655387  1
  Mg  Mg226  1  0.752398  0.102139  0.681264  1
  Mg  Mg227  1  0.146273  0.107319  0.668849  1
  Mg  Mg228  1  0.538813  0.112524  0.655335  1
  Mg  Mg229  1  0.665449  0.479280  0.676398  1
  Mg  Mg230  1  0.058294  0.484582  0.663228  1
  Mg  Mg231  1  0.451824  0.489680  0.650291  1
  Mg  Mg232  1  0.665353  0.979378  0.675737  1
  Mg  Mg233  1  0.058813  0.984731  0.663519  1
  Mg  Mg234  1  0.452034  0.989753  0.650174  1
  Mg  Mg235  1  0.971429  0.361553  0.658346  1
  Mg  Mg236  1  0.364977  0.367283  0.644730  1
  Mg  Mg237  1  0.579123  0.355682  0.671203  1
  Mg  Mg238  1  0.971830  0.861892  0.658268  1
  Mg  Mg239  1  0.364949  0.867203  0.644692  1
  Mg  Mg240  1  0.578629  0.856083  0.670671  1
  Mg  Mg241  1  0.576724  0.220790  0.696058  1
  Mg  Mg242  1  0.790051  0.207386  0.721258  1
  Mg  Mg243  1  0.186690  0.214099  0.707840  1
  Mg  Mg244  1  0.574259  0.720806  0.695752  1
  Mg  Mg245  1  0.969669  0.726993  0.682888  1
  Mg  Mg246  1  0.184748  0.714250  0.707887  1
  Mg  Mg247  1  0.572330  0.584371  0.719956  1
  Mg  Mg248  1  0.966776  0.590913  0.706681  1
  Mg  Mg249  1  0.360894  0.595893  0.694674  1
  Mg  Mg250  1  0.577504  0.083983  0.720017  1
  Mg  Mg251  1  0.965018  0.092285  0.707216  1
  Mg  Mg252  1  0.363776  0.095556  0.694940  1
  Mg  Mg253  1  0.487266  0.462340  0.714990  1
  Mg  Mg254  1  0.877304  0.469443  0.701912  1
  Mg  Mg255  1  0.273840  0.474181  0.689248  1
  Mg  Mg256  1  0.490434  0.961754  0.714961  1
  Mg  Mg257  1  0.876491  0.971005  0.701887  1
  Mg  Mg258  1  0.275460  0.974074  0.689379  1
  Mg  Mg259  1  0.791107  0.344878  0.697062  1
  Mg  Mg260  1  0.187219  0.350636  0.683629  1
  Mg  Mg261  1  0.400037  0.341286  0.709355  1
  Mg  Mg262  1  0.791193  0.848253  0.696182  1
  Mg  Mg263  1  0.187617  0.850584  0.683734  1
  Mg  Mg264  1  0.401260  0.841282  0.709318  1
