# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40301401
_cell_length_b   15.89421287
_cell_length_c   49.43119064
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.16635737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6597.27634986
_cell_formula_units_Z   126
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  0.483103  0.213593  0.332920  1
  Mg  Mg2  1  0.463692  0.891735  0.311282  1
  Mg  Mg3  1  0.436665  0.571207  0.292455  1
  Mg  Mg4  1  0.816437  0.880260  0.332920  1
  Mg  Mg5  1  0.797025  0.558401  0.311282  1
  Mg  Mg6  1  0.149770  0.546927  0.332920  1
  Mg  Mg7  1  0.769998  0.237874  0.292455  1
  Mg  Mg8  1  0.130358  0.225068  0.311282  1
  Mg  Mg9  1  0.103331  0.904541  0.292455  1
  Mg  Mg10  1  0.564816  0.393560  0.308327  1
  Mg  Mg11  1  0.542876  0.075298  0.289971  1
  Mg  Mg12  1  0.587885  0.714132  0.329499  1
  Mg  Mg13  1  0.898150  0.060227  0.308327  1
  Mg  Mg14  1  0.876209  0.741965  0.289971  1
  Mg  Mg15  1  0.231483  0.726893  0.308327  1
  Mg  Mg16  1  0.921218  0.380799  0.329499  1
  Mg  Mg17  1  0.209543  0.408632  0.289971  1
  Mg  Mg18  1  0.254552  0.047465  0.329499  1
  Mg  Mg19  1  0.552234  0.174005  0.395347  1
  Mg  Mg20  1  0.529151  0.853465  0.374299  1
  Mg  Mg21  1  0.507486  0.532436  0.353475  1
  Mg  Mg22  1  0.885567  0.840671  0.395347  1
  Mg  Mg23  1  0.862484  0.520132  0.374299  1
  Mg  Mg24  1  0.218901  0.507338  0.395347  1
  Mg  Mg25  1  0.840820  0.199102  0.353475  1
  Mg  Mg26  1  0.195818  0.186799  0.374299  1
  Mg  Mg27  1  0.174153  0.865769  0.353475  1
  Mg  Mg28  1  0.634902  0.355313  0.371075  1
  Mg  Mg29  1  0.611164  0.035378  0.350614  1
  Mg  Mg30  1  0.657227  0.675838  0.392045  1
  Mg  Mg31  1  0.968235  0.021980  0.371075  1
  Mg  Mg32  1  0.944497  0.702045  0.350614  1
  Mg  Mg33  1  0.301568  0.688647  0.371075  1
  Mg  Mg34  1  0.990561  0.342505  0.392045  1
  Mg  Mg35  1  0.277830  0.368712  0.350614  1
  Mg  Mg36  1  0.323894  0.009172  0.392045  1
  Mg  Mg37  1  0.620917  0.135099  0.457952  1
  Mg  Mg38  1  0.597949  0.814691  0.437040  1
  Mg  Mg39  1  0.575163  0.494188  0.416149  1
  Mg  Mg40  1  0.954250  0.801766  0.457952  1
  Mg  Mg41  1  0.931282  0.481357  0.437040  1
  Mg  Mg42  1  0.287584  0.468432  0.457952  1
  Mg  Mg43  1  0.908497  0.160855  0.416149  1
  Mg  Mg44  1  0.264615  0.148024  0.437040  1
  Mg  Mg45  1  0.241830  0.827522  0.416149  1
  Mg  Mg46  1  0.703336  0.316707  0.433796  1
  Mg  Mg47  1  0.680421  0.996269  0.412932  1
  Mg  Mg48  1  0.726204  0.637119  0.454668  1
  Mg  Mg49  1  0.036669  0.983374  0.433796  1
  Mg  Mg50  1  0.013755  0.662935  0.412932  1
  Mg  Mg51  1  0.370002  0.650041  0.433796  1
  Mg  Mg52  1  0.059537  0.303786  0.454668  1
  Mg  Mg53  1  0.347088  0.329602  0.412932  1
  Mg  Mg54  1  0.392871  0.970452  0.454668  1
  Mg  Mg55  1  0.689664  0.096342  0.520586  1
  Mg  Mg56  1  0.666727  0.775912  0.499698  1
  Mg  Mg57  1  0.643823  0.455514  0.478824  1
  Mg  Mg58  1  0.022998  0.763009  0.520586  1
  Mg  Mg59  1  1.000060  0.442579  0.499698  1
  Mg  Mg60  1  0.356331  0.429676  0.520586  1
  Mg  Mg61  1  0.977156  0.122181  0.478824  1
  Mg  Mg62  1  0.333394  0.109246  0.499698  1
  Mg  Mg63  1  0.310490  0.788847  0.478824  1
  Mg  Mg64  1  0.772086  0.277961  0.496439  1
  Mg  Mg65  1  0.749148  0.957530  0.475552  1
  Mg  Mg66  1  0.794990  0.598359  0.517314  1
  Mg  Mg67  1  0.105419  0.944627  0.496439  1
  Mg  Mg68  1  0.082482  0.624197  0.475552  1
  Mg  Mg69  1  0.438752  0.611294  0.496439  1
  Mg  Mg70  1  0.128323  0.265026  0.517314  1
  Mg  Mg71  1  0.415815  0.290864  0.475552  1
  Mg  Mg72  1  0.461656  0.931692  0.517314  1
  Mg  Mg73  1  0.758391  0.057604  0.583205  1
  Mg  Mg74  1  0.735477  0.737166  0.562341  1
  Mg  Mg75  1  0.712609  0.416754  0.541470  1
  Mg  Mg76  1  0.091725  0.724271  0.583205  1
  Mg  Mg77  1  0.068810  0.403832  0.562341  1
  Mg  Mg78  1  0.425058  0.390938  0.583205  1
  Mg  Mg79  1  0.045942  0.083421  0.541470  1
  Mg  Mg80  1  0.402144  0.070499  0.562341  1
  Mg  Mg81  1  0.379276  0.750087  0.541470  1
  Mg  Mg82  1  0.840864  0.239182  0.559098  1
  Mg  Mg83  1  0.817896  0.918774  0.538185  1
  Mg  Mg84  1  0.863649  0.559685  0.579988  1
  Mg  Mg85  1  0.174197  0.905849  0.559098  1
  Mg  Mg86  1  0.151229  0.585440  0.538185  1
  Mg  Mg87  1  0.507531  0.572516  0.559098  1
  Mg  Mg88  1  0.196983  0.226351  0.579988  1
  Mg  Mg89  1  0.484562  0.252107  0.538185  1
  Mg  Mg90  1  0.530316  0.893018  0.579988  1
  Mg  Mg91  1  0.827649  0.018495  0.645524  1
  Mg  Mg92  1  0.803911  0.698560  0.625063  1
  Mg  Mg93  1  0.781586  0.378034  0.604093  1
  Mg  Mg94  1  0.160982  0.685161  0.645524  1
  Mg  Mg95  1  0.137244  0.365226  0.625063  1
  Mg  Mg96  1  0.494316  0.351828  0.645524  1
  Mg  Mg97  1  0.114919  0.044701  0.604093  1
  Mg  Mg98  1  0.470578  0.031893  0.625063  1
  Mg  Mg99  1  0.448252  0.711368  0.604093  1
  Mg  Mg100  1  0.909662  0.200408  0.621839  1
  Mg  Mg101  1  0.886579  0.879868  0.600791  1
  Mg  Mg102  1  0.931326  0.521437  0.642663  1
  Mg  Mg103  1  0.242995  0.867074  0.621839  1
  Mg  Mg104  1  0.219912  0.546535  0.600791  1
  Mg  Mg105  1  0.576328  0.533741  0.621839  1
  Mg  Mg106  1  0.264660  0.188104  0.642663  1
  Mg  Mg107  1  0.553246  0.213202  0.600791  1
  Mg  Mg108  1  0.597993  0.854771  0.642663  1
  Mg  Mg109  1  0.895937  0.978575  0.706166  1
  Mg  Mg110  1  0.873996  0.660313  0.687810  1
  Mg  Mg111  1  0.850928  0.339741  0.666639  1
  Mg  Mg112  1  0.229270  0.645241  0.706166  1
  Mg  Mg113  1  0.207330  0.326980  0.687810  1
  Mg  Mg114  1  0.562603  0.311908  0.706166  1
  Mg  Mg115  1  0.184261  0.006407  0.666639  1
  Mg  Mg116  1  0.540663  0.993646  0.687810  1
  Mg  Mg117  1  0.517594  0.673074  0.666639  1
  Mg  Mg118  1  0.975121  0.162138  0.684856  1
  Mg  Mg119  1  0.955709  0.840279  0.663217  1
  Mg  Mg120  1  1.002148  0.482666  0.703682  1
  Mg  Mg121  1  0.308454  0.828805  0.684856  1
  Mg  Mg122  1  0.289043  0.506946  0.663217  1
  Mg  Mg123  1  0.641788  0.495472  0.684856  1
  Mg  Mg124  1  0.335481  0.149332  0.703682  1
  Mg  Mg125  1  0.622376  0.173613  0.663217  1
  Mg  Mg126  1  0.668815  0.815999  0.703682  1
