# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.51971689
_cell_length_b   14.09163165
_cell_length_c   46.27187055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   126.00091175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg168
_cell_volume   8714.3211768
_cell_formula_units_Z   168
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  0.769370  0.310757  0.302510  1
  Mg  Mg2  1  0.436037  0.310757  0.302510  1
  Mg  Mg3  1  0.365520  0.839585  0.288479  1
  Mg  Mg4  1  0.102703  0.310757  0.302510  1
  Mg  Mg5  1  0.032187  0.839585  0.288479  1
  Mg  Mg6  1  0.698854  0.839585  0.288479  1
  Mg  Mg7  1  0.585260  0.044635  0.309264  1
  Mg  Mg8  1  0.251926  0.044635  0.309264  1
  Mg  Mg9  1  0.178802  0.574498  0.294878  1
  Mg  Mg10  1  0.918593  0.044635  0.309264  1
  Mg  Mg11  1  0.845468  0.574498  0.294878  1
  Mg  Mg12  1  0.512135  0.574498  0.294878  1
  Mg  Mg13  1  0.572052  0.251206  0.332197  1
  Mg  Mg14  1  0.238719  0.251206  0.332197  1
  Mg  Mg15  1  0.167697  0.779342  0.317767  1
  Mg  Mg16  1  0.905386  0.251206  0.332197  1
  Mg  Mg17  1  0.834363  0.779342  0.317767  1
  Mg  Mg18  1  0.501030  0.779342  0.317767  1
  Mg  Mg19  1  0.388091  0.989241  0.341048  1
  Mg  Mg20  1  0.054758  0.989241  0.341048  1
  Mg  Mg21  1  0.984881  0.517413  0.324986  1
  Mg  Mg22  1  0.721425  0.989241  0.341048  1
  Mg  Mg23  1  0.651547  0.517413  0.324986  1
  Mg  Mg24  1  0.318214  0.517413  0.324986  1
  Mg  Mg25  1  0.376643  0.194934  0.364567  1
  Mg  Mg26  1  0.043310  0.194934  0.364567  1
  Mg  Mg27  1  0.973476  0.722909  0.349367  1
  Mg  Mg28  1  0.709977  0.194934  0.364567  1
  Mg  Mg29  1  0.640143  0.722909  0.349367  1
  Mg  Mg30  1  0.306809  0.722909  0.349367  1
  Mg  Mg31  1  0.191025  0.929857  0.371686  1
  Mg  Mg32  1  0.857691  0.929857  0.371686  1
  Mg  Mg33  1  0.788869  0.459007  0.356761  1
  Mg  Mg34  1  0.524358  0.929857  0.371686  1
  Mg  Mg35  1  0.455535  0.459007  0.356761  1
  Mg  Mg36  1  0.122202  0.459007  0.356761  1
  Mg  Mg37  1  0.181388  0.136091  0.395385  1
  Mg  Mg38  1  0.848055  0.136091  0.395385  1
  Mg  Mg39  1  0.778612  0.664932  0.379757  1
  Mg  Mg40  1  0.514722  0.136091  0.395385  1
  Mg  Mg41  1  0.445279  0.664932  0.379757  1
  Mg  Mg42  1  0.111946  0.664932  0.379757  1
  Mg  Mg43  1  0.994401  0.871278  0.403338  1
  Mg  Mg44  1  0.661068  0.871278  0.403338  1
  Mg  Mg45  1  0.592438  0.399905  0.387270  1
  Mg  Mg46  1  0.327734  0.871278  0.403338  1
  Mg  Mg47  1  0.259105  0.399905  0.387270  1
  Mg  Mg48  1  0.925771  0.399905  0.387270  1
  Mg  Mg49  1  0.985240  0.076999  0.426925  1
  Mg  Mg50  1  0.651907  0.076999  0.426925  1
  Mg  Mg51  1  0.583076  0.605950  0.411393  1
  Mg  Mg52  1  0.318574  0.076999  0.426925  1
  Mg  Mg53  1  0.249743  0.605950  0.411393  1
  Mg  Mg54  1  0.916409  0.605950  0.411393  1
  Mg  Mg55  1  0.798211  0.812603  0.434680  1
  Mg  Mg56  1  0.464878  0.812603  0.434680  1
  Mg  Mg57  1  0.396222  0.341813  0.419170  1
  Mg  Mg58  1  0.131544  0.812603  0.434680  1
  Mg  Mg59  1  0.062889  0.341813  0.419170  1
  Mg  Mg60  1  0.729555  0.341813  0.419170  1
  Mg  Mg61  1  0.789463  0.018573  0.458303  1
  Mg  Mg62  1  0.456130  0.018573  0.458303  1
  Mg  Mg63  1  0.387216  0.547607  0.442586  1
  Mg  Mg64  1  0.122797  0.018573  0.458303  1
  Mg  Mg65  1  0.053882  0.547607  0.442586  1
  Mg  Mg66  1  0.720549  0.547607  0.442586  1
  Mg  Mg67  1  0.602008  0.753792  0.466182  1
  Mg  Mg68  1  0.268675  0.753792  0.466182  1
  Mg  Mg69  1  0.200097  0.283175  0.450425  1
  Mg  Mg70  1  0.935342  0.753792  0.466182  1
  Mg  Mg71  1  0.866763  0.283175  0.450425  1
  Mg  Mg72  1  0.533430  0.283175  0.450425  1
  Mg  Mg73  1  0.593374  0.959702  0.489816  1
  Mg  Mg74  1  0.260041  0.959702  0.489816  1
  Mg  Mg75  1  0.191355  0.488976  0.474160  1
  Mg  Mg76  1  0.926708  0.959702  0.489816  1
  Mg  Mg77  1  0.858022  0.488976  0.474160  1
  Mg  Mg78  1  0.524688  0.488976  0.474160  1
  Mg  Mg79  1  0.405998  0.695117  0.497632  1
  Mg  Mg80  1  0.072665  0.695117  0.497632  1
  Mg  Mg81  1  0.003943  0.224328  0.481978  1
  Mg  Mg82  1  0.739332  0.695117  0.497632  1
  Mg  Mg83  1  0.670610  0.224328  0.481978  1
  Mg  Mg84  1  0.337276  0.224328  0.481978  1
  Mg  Mg85  1  0.397416  0.901161  0.521209  1
  Mg  Mg86  1  0.064083  0.901161  0.521209  1
  Mg  Mg87  1  0.995361  0.430373  0.505556  1
  Mg  Mg88  1  0.730750  0.901161  0.521209  1
  Mg  Mg89  1  0.662028  0.430373  0.505556  1
  Mg  Mg90  1  0.328694  0.430373  0.505556  1
  Mg  Mg91  1  0.210004  0.636513  0.529027  1
  Mg  Mg92  1  0.876671  0.636513  0.529027  1
  Mg  Mg93  1  0.807985  0.165787  0.513372  1
  Mg  Mg94  1  0.543337  0.636513  0.529027  1
  Mg  Mg95  1  0.474652  0.165787  0.513372  1
  Mg  Mg96  1  0.141318  0.165787  0.513372  1
  Mg  Mg97  1  0.201262  0.842315  0.552763  1
  Mg  Mg98  1  0.867929  0.842315  0.552763  1
  Mg  Mg99  1  0.799351  0.371697  0.537006  1
  Mg  Mg100  1  0.534596  0.842315  0.552763  1
  Mg  Mg101  1  0.466018  0.371697  0.537006  1
  Mg  Mg102  1  0.132684  0.371697  0.537006  1
  Mg  Mg103  1  0.014144  0.577882  0.560601  1
  Mg  Mg104  1  0.680810  0.577882  0.560601  1
  Mg  Mg105  1  0.611896  0.106916  0.544884  1
  Mg  Mg106  1  0.347477  0.577882  0.560601  1
  Mg  Mg107  1  0.278562  0.106916  0.544884  1
  Mg  Mg108  1  0.945229  0.106916  0.544884  1
  Mg  Mg109  1  0.005137  0.783676  0.584017  1
  Mg  Mg110  1  0.671804  0.783676  0.584017  1
  Mg  Mg111  1  0.603148  0.312886  0.568508  1
  Mg  Mg112  1  0.338470  0.783676  0.584017  1
  Mg  Mg113  1  0.269815  0.312886  0.568508  1
  Mg  Mg114  1  0.936482  0.312886  0.568508  1
  Mg  Mg115  1  0.818283  0.519539  0.591795  1
  Mg  Mg116  1  0.484950  0.519539  0.591795  1
  Mg  Mg117  1  0.416119  0.048490  0.576263  1
  Mg  Mg118  1  0.151616  0.519539  0.591795  1
  Mg  Mg119  1  0.082785  0.048490  0.576263  1
  Mg  Mg120  1  0.749452  0.048490  0.576263  1
  Mg  Mg121  1  0.808921  0.725584  0.615918  1
  Mg  Mg122  1  0.475588  0.725584  0.615918  1
  Mg  Mg123  1  0.406958  0.254211  0.599850  1
  Mg  Mg124  1  0.142254  0.725584  0.615918  1
  Mg  Mg125  1  0.073625  0.254211  0.599850  1
  Mg  Mg126  1  0.740291  0.254211  0.599850  1
  Mg  Mg127  1  0.622747  0.460558  0.623430  1
  Mg  Mg128  1  0.289414  0.460558  0.623430  1
  Mg  Mg129  1  0.219971  0.989399  0.607803  1
  Mg  Mg130  1  0.956080  0.460558  0.623430  1
  Mg  Mg131  1  0.886638  0.989399  0.607803  1
  Mg  Mg132  1  0.553304  0.989399  0.607803  1
  Mg  Mg133  1  0.612491  0.666482  0.646427  1
  Mg  Mg134  1  0.279157  0.666482  0.646427  1
  Mg  Mg135  1  0.210334  0.195632  0.631501  1
  Mg  Mg136  1  0.945824  0.666482  0.646427  1
  Mg  Mg137  1  0.877001  0.195632  0.631501  1
  Mg  Mg138  1  0.543668  0.195632  0.631501  1
  Mg  Mg139  1  0.427883  0.402580  0.653820  1
  Mg  Mg140  1  0.094550  0.402580  0.653820  1
  Mg  Mg141  1  0.024716  0.930555  0.638621  1
  Mg  Mg142  1  0.761216  0.402580  0.653820  1
  Mg  Mg143  1  0.691382  0.930555  0.638621  1
  Mg  Mg144  1  0.358049  0.930555  0.638621  1
  Mg  Mg145  1  0.416479  0.608077  0.678201  1
  Mg  Mg146  1  0.083145  0.608077  0.678201  1
  Mg  Mg147  1  0.013268  0.136248  0.662139  1
  Mg  Mg148  1  0.749812  0.608077  0.678201  1
  Mg  Mg149  1  0.679935  0.136248  0.662139  1
  Mg  Mg150  1  0.346601  0.136248  0.662139  1
  Mg  Mg151  1  0.233662  0.346147  0.685421  1
  Mg  Mg152  1  0.900329  0.346147  0.685421  1
  Mg  Mg153  1  0.829307  0.874283  0.670991  1
  Mg  Mg154  1  0.566996  0.346147  0.685421  1
  Mg  Mg155  1  0.495974  0.874283  0.670991  1
  Mg  Mg156  1  0.162640  0.874283  0.670991  1
  Mg  Mg157  1  0.222558  0.550991  0.708310  1
  Mg  Mg158  1  0.889224  0.550991  0.708310  1
  Mg  Mg159  1  0.816100  0.080854  0.693924  1
  Mg  Mg160  1  0.555891  0.550991  0.708310  1
  Mg  Mg161  1  0.482766  0.080854  0.693924  1
  Mg  Mg162  1  0.149433  0.080854  0.693924  1
  Mg  Mg163  1  0.035839  0.285904  0.714709  1
  Mg  Mg164  1  0.702506  0.285904  0.714709  1
  Mg  Mg165  1  0.631989  0.814732  0.700677  1
  Mg  Mg166  1  0.369172  0.285904  0.714709  1
  Mg  Mg167  1  0.298656  0.814732  0.700677  1
  Mg  Mg168  1  0.965323  0.814732  0.700677  1
