# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28624009
_cell_length_b   11.27250216
_cell_length_c   49.04189272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg126
_cell_volume   6208.03893991
_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  0.996664  0.331909  0.270356  1
  Mg  Mg2  1  0.329997  0.998576  0.270356  1
  Mg  Mg3  1  0.283973  0.285817  0.289465  1
  Mg  Mg4  1  0.663331  0.665243  0.270356  1
  Mg  Mg5  1  0.617306  0.952483  0.289465  1
  Mg  Mg6  1  0.580191  0.248562  0.309727  1
  Mg  Mg7  1  0.950640  0.619150  0.289465  1
  Mg  Mg8  1  0.913524  0.915229  0.309727  1
  Mg  Mg9  1  0.246857  0.581895  0.309727  1
  Mg  Mg10  1  0.070696  0.405720  0.325715  1
  Mg  Mg11  1  0.404029  0.072387  0.325715  1
  Mg  Mg12  1  0.476293  0.478115  0.279323  1
  Mg  Mg13  1  0.737362  0.739053  0.325715  1
  Mg  Mg14  1  0.809626  0.144782  0.279323  1
  Mg  Mg15  1  0.764378  0.432833  0.300018  1
  Mg  Mg16  1  0.142960  0.811449  0.279323  1
  Mg  Mg17  1  0.097712  0.099500  0.300018  1
  Mg  Mg18  1  0.431045  0.766167  0.300018  1
  Mg  Mg19  1  0.888499  0.223496  0.334895  1
  Mg  Mg20  1  0.221833  0.890162  0.334895  1
  Mg  Mg21  1  0.186252  0.187817  0.356848  1
  Mg  Mg22  1  0.555166  0.556829  0.334895  1
  Mg  Mg23  1  0.519586  0.854484  0.356848  1
  Mg  Mg24  1  0.490745  0.158867  0.380388  1
  Mg  Mg25  1  0.852919  0.521150  0.356848  1
  Mg  Mg26  1  0.824078  0.825534  0.380388  1
  Mg  Mg27  1  0.157411  0.492200  0.380388  1
  Mg  Mg28  1  0.974218  0.308985  0.390795  1
  Mg  Mg29  1  0.307551  0.975652  0.390795  1
  Mg  Mg30  1  0.370917  0.372508  0.345331  1
  Mg  Mg31  1  0.640884  0.642319  0.390795  1
  Mg  Mg32  1  0.704250  0.039174  0.345331  1
  Mg  Mg33  1  0.669785  0.337993  0.366797  1
  Mg  Mg34  1  0.037583  0.705841  0.345331  1
  Mg  Mg35  1  1.003119  0.004660  0.366797  1
  Mg  Mg36  1  0.336452  0.671326  0.366797  1
  Mg  Mg37  1  0.790905  0.125651  0.401646  1
  Mg  Mg38  1  0.124238  0.792318  0.401646  1
  Mg  Mg39  1  0.090887  0.092198  0.423633  1
  Mg  Mg40  1  0.457571  0.458985  0.401646  1
  Mg  Mg41  1  0.424221  0.758864  0.423633  1
  Mg  Mg42  1  0.393651  0.061529  0.446774  1
  Mg  Mg43  1  0.757554  0.425531  0.423633  1
  Mg  Mg44  1  0.726984  0.728195  0.446774  1
  Mg  Mg45  1  0.060317  0.394862  0.446774  1
  Mg  Mg46  1  0.877642  0.212159  0.457985  1
  Mg  Mg47  1  0.210975  0.878825  0.457985  1
  Mg  Mg48  1  0.274124  0.275457  0.413081  1
  Mg  Mg49  1  0.544308  0.545492  0.457985  1
  Mg  Mg50  1  0.607457  0.942123  0.413081  1
  Mg  Mg51  1  0.576536  0.244481  0.435949  1
  Mg  Mg52  1  0.940790  0.608790  0.413081  1
  Mg  Mg53  1  0.909870  0.911148  0.435949  1
  Mg  Mg54  1  0.243203  0.577814  0.435949  1
  Mg  Mg55  1  0.694536  0.029017  0.469214  1
  Mg  Mg56  1  0.027870  0.695683  0.469214  1
  Mg  Mg57  1  0.996111  0.997163  0.491785  1
  Mg  Mg58  1  0.361203  0.362350  0.469214  1
  Mg  Mg59  1  0.329444  0.663830  0.491785  1
  Mg  Mg60  1  0.297922  0.965565  0.514363  1
  Mg  Mg61  1  0.662777  0.330496  0.491785  1
  Mg  Mg62  1  0.631255  0.632232  0.514363  1
  Mg  Mg63  1  0.964589  0.298898  0.514363  1
  Mg  Mg64  1  0.781517  0.115772  0.525304  1
  Mg  Mg65  1  0.114850  0.782439  0.525304  1
  Mg  Mg66  1  0.178131  0.179224  0.480156  1
  Mg  Mg67  1  0.448183  0.449105  0.525304  1
  Mg  Mg68  1  0.511464  0.845890  0.480156  1
  Mg  Mg69  1  0.479942  0.147626  0.502734  1
  Mg  Mg70  1  0.844798  0.512557  0.480156  1
  Mg  Mg71  1  0.813276  0.814292  0.502734  1
  Mg  Mg72  1  0.146609  0.480959  0.502734  1
  Mg  Mg73  1  0.598412  0.932630  0.536534  1
  Mg  Mg74  1  0.931745  0.599297  0.536534  1
  Mg  Mg75  1  0.899517  0.900308  0.558570  1
  Mg  Mg76  1  0.265078  0.265963  0.536534  1
  Mg  Mg77  1  0.232850  0.566974  0.558570  1
  Mg  Mg78  1  0.201929  0.869332  0.581438  1
  Mg  Mg79  1  0.566183  0.233641  0.558570  1
  Mg  Mg80  1  0.535263  0.535999  0.581438  1
  Mg  Mg81  1  0.868596  0.202665  0.581438  1
  Mg  Mg82  1  0.685148  0.019137  0.592872  1
  Mg  Mg83  1  0.018482  0.685804  0.592872  1
  Mg  Mg84  1  0.082402  0.083260  0.547744  1
  Mg  Mg85  1  0.351815  0.352471  0.592872  1
  Mg  Mg86  1  0.415736  0.749927  0.547744  1
  Mg  Mg87  1  0.385166  0.052591  0.570886  1
  Mg  Mg88  1  0.749069  0.416593  0.547744  1
  Mg  Mg89  1  0.718499  0.719258  0.570886  1
  Mg  Mg90  1  0.051832  0.385924  0.570886  1
  Mg  Mg91  1  0.501835  0.835803  0.603723  1
  Mg  Mg92  1  0.835169  0.502470  0.603723  1
  Mg  Mg93  1  0.806268  0.806796  0.627722  1
  Mg  Mg94  1  0.168502  0.169137  0.603723  1
  Mg  Mg95  1  0.139601  0.473462  0.627722  1
  Mg  Mg96  1  0.105136  0.772281  0.649188  1
  Mg  Mg97  1  0.472934  0.140129  0.627722  1
  Mg  Mg98  1  0.438470  0.438948  0.649188  1
  Mg  Mg99  1  0.771803  0.105614  0.649188  1
  Mg  Mg100  1  0.587554  0.921293  0.659624  1
  Mg  Mg101  1  0.920887  0.587960  0.659624  1
  Mg  Mg102  1  0.985308  0.985922  0.614131  1
  Mg  Mg103  1  0.254220  0.254626  0.659624  1
  Mg  Mg104  1  0.318642  0.652588  0.614131  1
  Mg  Mg105  1  0.289801  0.956972  0.637671  1
  Mg  Mg106  1  0.651975  0.319255  0.614131  1
  Mg  Mg107  1  0.623134  0.623638  0.637671  1
  Mg  Mg108  1  0.956467  0.290305  0.637671  1
  Mg  Mg109  1  0.405357  0.739069  0.668804  1
  Mg  Mg110  1  0.738691  0.405735  0.668804  1
  Mg  Mg111  1  0.711675  0.711955  0.694500  1
  Mg  Mg112  1  0.072024  0.072402  0.668804  1
  Mg  Mg113  1  0.045008  0.378622  0.694500  1
  Mg  Mg114  1  0.999760  0.666673  0.715196  1
  Mg  Mg115  1  0.378341  0.045289  0.694500  1
  Mg  Mg116  1  0.333093  0.333340  0.715196  1
  Mg  Mg117  1  0.666427  1.000007  0.715196  1
  Mg  Mg118  1  0.479389  0.812879  0.724163  1
  Mg  Mg119  1  0.812722  0.479546  0.724163  1
  Mg  Mg120  1  0.895863  0.896227  0.684791  1
  Mg  Mg121  1  0.146056  0.146213  0.724163  1
  Mg  Mg122  1  0.229196  0.562893  0.684791  1
  Mg  Mg123  1  0.192080  0.858972  0.705053  1
  Mg  Mg124  1  0.562529  0.229560  0.684791  1
  Mg  Mg125  1  0.525413  0.525639  0.705053  1
  Mg  Mg126  1  0.858747  0.192305  0.705053  1
