# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85418838
_cell_length_b   16.81231683
_cell_length_c   46.41035352
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.33076029
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg198
_cell_volume   10299.9822982
_cell_formula_units_Z   198
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  0.159451  0.714728  0.295862  1
  Mg  Mg2  1  0.492785  0.381395  0.295862  1
  Mg  Mg3  1  0.553708  0.723903  0.283091  1
  Mg  Mg4  1  0.770328  0.703470  0.306933  1
  Mg  Mg5  1  0.103661  0.370137  0.306933  1
  Mg  Mg6  1  0.436995  0.036803  0.306933  1
  Mg  Mg7  1  0.826118  0.048062  0.295862  1
  Mg  Mg8  1  0.887042  0.390569  0.283091  1
  Mg  Mg9  1  0.220375  0.057236  0.283091  1
  Mg  Mg10  1  0.179193  0.530952  0.315180  1
  Mg  Mg11  1  0.512527  0.197619  0.315180  1
  Mg  Mg12  1  0.568967  0.540548  0.302514  1
  Mg  Mg13  1  0.959112  0.549518  0.290639  1
  Mg  Mg14  1  0.292446  0.216185  0.290639  1
  Mg  Mg15  1  0.625779  0.882852  0.290639  1
  Mg  Mg16  1  0.845860  0.864286  0.315180  1
  Mg  Mg17  1  0.902301  0.207214  0.302514  1
  Mg  Mg18  1  0.235634  0.873881  0.302514  1
  Mg  Mg19  1  0.987033  0.684913  0.333883  1
  Mg  Mg20  1  0.320366  0.351580  0.333883  1
  Mg  Mg21  1  0.377288  0.693748  0.319901  1
  Mg  Mg22  1  0.594872  0.676332  0.347559  1
  Mg  Mg23  1  0.928205  0.342999  0.347559  1
  Mg  Mg24  1  0.261539  0.009665  0.347559  1
  Mg  Mg25  1  0.653700  0.018247  0.333883  1
  Mg  Mg26  1  0.710621  0.360415  0.319901  1
  Mg  Mg27  1  0.043954  0.027082  0.319901  1
  Mg  Mg28  1  0.003362  0.502666  0.355752  1
  Mg  Mg29  1  0.336696  0.169333  0.355752  1
  Mg  Mg30  1  0.393926  0.513549  0.342495  1
  Mg  Mg31  1  0.784091  0.522815  0.329286  1
  Mg  Mg32  1  0.117425  0.189482  0.329286  1
  Mg  Mg33  1  0.450758  0.856148  0.329286  1
  Mg  Mg34  1  0.670029  0.835999  0.355752  1
  Mg  Mg35  1  0.727259  0.180216  0.342495  1
  Mg  Mg36  1  0.060592  0.846883  0.342495  1
  Mg  Mg37  1  0.813247  0.657114  0.373763  1
  Mg  Mg38  1  0.146581  0.323780  0.373763  1
  Mg  Mg39  1  0.203691  0.666758  0.360797  1
  Mg  Mg40  1  0.421402  0.648141  0.387148  1
  Mg  Mg41  1  0.754736  0.314807  0.387148  1
  Mg  Mg42  1  0.088069  0.981474  0.387148  1
  Mg  Mg43  1  0.479914  0.990447  0.373763  1
  Mg  Mg44  1  0.537025  0.333424  0.360797  1
  Mg  Mg45  1  0.870358  1.000091  0.360797  1
  Mg  Mg46  1  0.828395  0.475424  0.396005  1
  Mg  Mg47  1  0.161728  0.142091  0.396005  1
  Mg  Mg48  1  0.219945  0.484564  0.382387  1
  Mg  Mg49  1  0.611118  0.493520  0.369014  1
  Mg  Mg50  1  0.944451  0.160187  0.369014  1
  Mg  Mg51  1  0.277784  0.826854  0.369014  1
  Mg  Mg52  1  0.495061  0.808757  0.396005  1
  Mg  Mg53  1  0.553279  0.151230  0.382387  1
  Mg  Mg54  1  0.886612  0.817897  0.382387  1
  Mg  Mg55  1  0.638913  0.629177  0.413963  1
  Mg  Mg56  1  0.972246  0.295843  0.413963  1
  Mg  Mg57  1  0.030132  0.638501  0.400611  1
  Mg  Mg58  1  0.247527  0.619931  0.427358  1
  Mg  Mg59  1  0.580860  0.286598  0.427358  1
  Mg  Mg60  1  0.914194  0.953264  0.427358  1
  Mg  Mg61  1  0.305579  0.962510  0.413963  1
  Mg  Mg62  1  0.363465  0.305168  0.400611  1
  Mg  Mg63  1  0.696798  0.971835  0.400611  1
  Mg  Mg64  1  0.654430  0.447152  0.436044  1
  Mg  Mg65  1  0.987764  0.113819  0.436044  1
  Mg  Mg66  1  0.045975  0.456374  0.422647  1
  Mg  Mg67  1  0.436991  0.466034  0.409330  1
  Mg  Mg68  1  0.770324  0.132701  0.409330  1
  Mg  Mg69  1  0.103658  0.799368  0.409330  1
  Mg  Mg70  1  0.321097  0.780486  0.436044  1
  Mg  Mg71  1  0.379308  0.123041  0.422647  1
  Mg  Mg72  1  0.712642  0.789707  0.422647  1
  Mg  Mg73  1  0.464942  0.601302  0.454057  1
  Mg  Mg74  1  0.798275  0.267969  0.454057  1
  Mg  Mg75  1  0.856316  0.610579  0.440708  1
  Mg  Mg76  1  0.073639  0.591891  0.467449  1
  Mg  Mg77  1  0.406972  0.258558  0.467449  1
  Mg  Mg78  1  0.740305  0.925224  0.467449  1
  Mg  Mg79  1  0.131608  0.934635  0.454057  1
  Mg  Mg80  1  0.189649  0.277246  0.440708  1
  Mg  Mg81  1  0.522983  0.943912  0.440708  1
  Mg  Mg82  1  0.480564  0.419134  0.476212  1
  Mg  Mg83  1  0.813897  0.085800  0.476212  1
  Mg  Mg84  1  0.871931  0.428449  0.462829  1
  Mg  Mg85  1  0.263184  0.437827  0.449418  1
  Mg  Mg86  1  0.596517  0.104494  0.449418  1
  Mg  Mg87  1  0.929851  0.771161  0.449418  1
  Mg  Mg88  1  0.147230  0.752467  0.476212  1
  Mg  Mg89  1  0.205265  0.095115  0.462829  1
  Mg  Mg90  1  0.538598  0.761782  0.462829  1
  Mg  Mg91  1  0.291061  0.573216  0.494198  1
  Mg  Mg92  1  0.624394  0.239882  0.494198  1
  Mg  Mg93  1  0.682383  0.582533  0.480818  1
  Mg  Mg94  1  0.899746  0.563873  0.507579  1
  Mg  Mg95  1  0.233079  0.230539  0.507579  1
  Mg  Mg96  1  0.566412  0.897206  0.507579  1
  Mg  Mg97  1  0.957727  0.906549  0.494198  1
  Mg  Mg98  1  0.015717  0.249199  0.480818  1
  Mg  Mg99  1  0.349050  0.915866  0.480818  1
  Mg  Mg100  1  0.306666  0.391115  0.516330  1
  Mg  Mg101  1  0.639999  0.057782  0.516330  1
  Mg  Mg102  1  0.697988  0.400432  0.502950  1
  Mg  Mg103  1  0.089303  0.409775  0.489569  1
  Mg  Mg104  1  0.422637  0.076442  0.489569  1
  Mg  Mg105  1  0.755970  0.743109  0.489569  1
  Mg  Mg106  1  0.973332  0.724449  0.516330  1
  Mg  Mg107  1  0.031322  0.067099  0.502950  1
  Mg  Mg108  1  0.364655  0.733766  0.502950  1
  Mg  Mg109  1  0.117118  0.545199  0.534319  1
  Mg  Mg110  1  0.450451  0.211866  0.534319  1
  Mg  Mg111  1  0.508486  0.554514  0.520936  1
  Mg  Mg112  1  0.725865  0.535821  0.547730  1
  Mg  Mg113  1  0.059198  0.202487  0.547730  1
  Mg  Mg114  1  0.392532  0.869154  0.547730  1
  Mg  Mg115  1  0.783785  0.878533  0.534319  1
  Mg  Mg116  1  0.841819  0.221181  0.520936  1
  Mg  Mg117  1  0.175152  0.887848  0.520936  1
  Mg  Mg118  1  0.132733  0.363069  0.556440  1
  Mg  Mg119  1  0.466066  0.029735  0.556440  1
  Mg  Mg120  1  0.524108  0.372346  0.543091  1
  Mg  Mg121  1  0.915410  0.381757  0.529699  1
  Mg  Mg122  1  0.248744  0.048424  0.529699  1
  Mg  Mg123  1  0.582077  0.715090  0.529699  1
  Mg  Mg124  1  0.799400  0.696402  0.556440  1
  Mg  Mg125  1  0.857441  0.039013  0.543091  1
  Mg  Mg126  1  0.190774  0.705679  0.543091  1
  Mg  Mg127  1  0.943074  0.517274  0.574501  1
  Mg  Mg128  1  0.276408  0.183941  0.574501  1
  Mg  Mg129  1  0.334619  0.526496  0.561104  1
  Mg  Mg130  1  0.552058  0.507614  0.587818  1
  Mg  Mg131  1  0.885392  0.174280  0.587818  1
  Mg  Mg132  1  0.218725  0.840947  0.587818  1
  Mg  Mg133  1  0.609741  0.850607  0.574501  1
  Mg  Mg134  1  0.667952  0.193162  0.561104  1
  Mg  Mg135  1  1.001285  0.859829  0.561104  1
  Mg  Mg136  1  0.958917  0.335147  0.596537  1
  Mg  Mg137  1  0.292251  1.001813  0.596537  1
  Mg  Mg138  1  0.350136  0.344471  0.583185  1
  Mg  Mg139  1  0.741522  0.353717  0.569790  1
  Mg  Mg140  1  0.074855  0.020384  0.569790  1
  Mg  Mg141  1  0.408189  0.687050  0.569790  1
  Mg  Mg142  1  0.625584  0.668480  0.596537  1
  Mg  Mg143  1  0.683470  0.011138  0.583185  1
  Mg  Mg144  1  0.016803  0.677805  0.583185  1
  Mg  Mg145  1  0.769104  0.489084  0.614761  1
  Mg  Mg146  1  0.102437  0.155751  0.614761  1
  Mg  Mg147  1  0.160654  0.498224  0.601143  1
  Mg  Mg148  1  0.377931  0.480128  0.628134  1
  Mg  Mg149  1  0.711265  0.146794  0.628134  1
  Mg  Mg150  1  0.044598  0.813461  0.628134  1
  Mg  Mg151  1  0.435770  0.822418  0.614761  1
  Mg  Mg152  1  0.493988  0.164891  0.601143  1
  Mg  Mg153  1  0.827321  0.831557  0.601143  1
  Mg  Mg154  1  0.785358  0.306890  0.636351  1
  Mg  Mg155  1  0.118691  0.973557  0.636351  1
  Mg  Mg156  1  0.175802  0.316534  0.623385  1
  Mg  Mg157  1  0.567647  0.325507  0.610000  1
  Mg  Mg158  1  0.900980  0.992174  0.610000  1
  Mg  Mg159  1  0.234313  0.658841  0.610000  1
  Mg  Mg160  1  0.452024  0.640224  0.636351  1
  Mg  Mg161  1  0.509135  0.983201  0.623385  1
  Mg  Mg162  1  0.842469  0.649868  0.623385  1
  Mg  Mg163  1  0.595123  0.460098  0.654653  1
  Mg  Mg164  1  0.928457  0.126765  0.654653  1
  Mg  Mg165  1  0.985687  0.470982  0.641396  1
  Mg  Mg166  1  0.204958  0.450833  0.667862  1
  Mg  Mg167  1  0.538291  0.117500  0.667862  1
  Mg  Mg168  1  0.871624  0.784166  0.667862  1
  Mg  Mg169  1  0.261790  0.793432  0.654653  1
  Mg  Mg170  1  0.319020  0.137649  0.641396  1
  Mg  Mg171  1  0.652353  0.804315  0.641396  1
  Mg  Mg172  1  0.611761  0.279899  0.677247  1
  Mg  Mg173  1  0.945095  0.946566  0.677247  1
  Mg  Mg174  1  0.002016  0.288734  0.663265  1
  Mg  Mg175  1  0.394177  0.297316  0.649589  1
  Mg  Mg176  1  0.727510  0.963983  0.649589  1
  Mg  Mg177  1  0.060844  0.630649  0.649589  1
  Mg  Mg178  1  0.278428  0.613233  0.677247  1
  Mg  Mg179  1  0.335350  0.955401  0.663265  1
  Mg  Mg180  1  0.668683  0.622068  0.663265  1
  Mg  Mg181  1  0.420082  0.433100  0.694634  1
  Mg  Mg182  1  0.753415  0.099767  0.694634  1
  Mg  Mg183  1  0.809856  0.442696  0.681968  1
  Mg  Mg184  1  0.029937  0.424130  0.706509  1
  Mg  Mg185  1  0.363270  0.090796  0.706509  1
  Mg  Mg186  1  0.696603  0.757463  0.706509  1
  Mg  Mg187  1  0.086748  0.766433  0.694634  1
  Mg  Mg188  1  0.143189  0.109362  0.681968  1
  Mg  Mg189  1  0.476523  0.776029  0.681968  1
  Mg  Mg190  1  0.435341  0.249745  0.714057  1
  Mg  Mg191  1  0.768674  0.916412  0.714057  1
  Mg  Mg192  1  0.829598  0.258920  0.701286  1
  Mg  Mg193  1  0.218721  0.270178  0.690215  1
  Mg  Mg194  1  0.552054  0.936844  0.690215  1
  Mg  Mg195  1  0.885388  0.603511  0.690215  1
  Mg  Mg196  1  0.102007  0.583079  0.714057  1
  Mg  Mg197  1  0.162931  0.925586  0.701286  1
  Mg  Mg198  1  0.496264  0.592253  0.701286  1
