# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50200942
_cell_length_b   20.93316339
_cell_length_c   45.73925507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54186090
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg104
_cell_volume   5222.42191453
_cell_formula_units_Z   104
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  0.945417  0.958342  0.282467  1
  Mg  Mg2  1  0.196028  0.450851  0.299286  1
  Mg  Mg3  1  0.464687  0.326545  0.295172  1
  Mg  Mg4  1  0.720164  0.825228  0.311407  1
  Mg  Mg5  1  0.069541  0.202456  0.290686  1
  Mg  Mg6  1  0.323729  0.698523  0.307892  1
  Mg  Mg7  1  0.671490  0.079148  0.286520  1
  Mg  Mg8  1  0.927162  0.574940  0.303840  1
  Mg  Mg9  1  0.442591  0.948717  0.315082  1
  Mg  Mg10  1  0.693032  0.445243  0.332346  1
  Mg  Mg11  1  0.964833  0.321177  0.328072  1
  Mg  Mg12  1  0.215702  0.818520  0.344566  1
  Mg  Mg13  1  0.567148  0.197277  0.323881  1
  Mg  Mg14  1  0.819209  0.693889  0.340839  1
  Mg  Mg15  1  0.169640  0.073441  0.319735  1
  Mg  Mg16  1  0.421513  0.569257  0.336784  1
  Mg  Mg17  1  0.939463  0.943039  0.349364  1
  Mg  Mg18  1  0.189740  0.439632  0.366446  1
  Mg  Mg19  1  0.460218  0.315509  0.362205  1
  Mg  Mg20  1  0.711087  0.812463  0.378967  1
  Mg  Mg21  1  0.063934  0.191355  0.357903  1
  Mg  Mg22  1  0.315566  0.688282  0.374958  1
  Mg  Mg23  1  0.667775  0.066723  0.353403  1
  Mg  Mg24  1  0.919458  0.563942  0.370794  1
  Mg  Mg25  1  0.437161  0.936684  0.383302  1
  Mg  Mg26  1  0.686769  0.433985  0.400761  1
  Mg  Mg27  1  0.957402  0.309708  0.396505  1
  Mg  Mg28  1  0.207690  0.806642  0.413475  1
  Mg  Mg29  1  0.561422  0.185315  0.392155  1
  Mg  Mg30  1  0.812042  0.682418  0.409320  1
  Mg  Mg31  1  0.165705  0.061095  0.387861  1
  Mg  Mg32  1  0.415865  0.558222  0.405119  1
  Mg  Mg33  1  0.934551  0.930785  0.418197  1
  Mg  Mg34  1  0.183770  0.428085  0.435573  1
  Mg  Mg35  1  0.454804  0.303748  0.431277  1
  Mg  Mg36  1  0.704486  0.800739  0.448396  1
  Mg  Mg37  1  0.058521  0.179449  0.426951  1
  Mg  Mg38  1  0.308702  0.676567  0.444181  1
  Mg  Mg39  1  0.662592  0.055065  0.422530  1
  Mg  Mg40  1  0.912487  0.552336  0.439916  1
  Mg  Mg41  1  0.431655  0.924936  0.452835  1
  Mg  Mg42  1  0.680745  0.422199  0.470253  1
  Mg  Mg43  1  0.951939  0.297903  0.465952  1
  Mg  Mg44  1  0.201381  0.794975  0.483157  1
  Mg  Mg45  1  0.555743  0.173549  0.461614  1
  Mg  Mg46  1  0.805629  0.670736  0.478882  1
  Mg  Mg47  1  0.159756  0.049252  0.457279  1
  Mg  Mg48  1  0.409448  0.546493  0.474607  1
  Mg  Mg49  1  0.928825  0.919171  0.487658  1
  Mg  Mg50  1  0.177810  0.416335  0.504989  1
  Mg  Mg51  1  0.449052  0.292011  0.500659  1
  Mg  Mg52  1  0.698403  0.789180  0.517913  1
  Mg  Mg53  1  0.052824  0.167714  0.496350  1
  Mg  Mg54  1  0.302631  0.664934  0.513656  1
  Mg  Mg55  1  0.656769  0.043397  0.491972  1
  Mg  Mg56  1  0.906490  0.540627  0.509312  1
  Mg  Mg57  1  0.425826  0.913353  0.522421  1
  Mg  Mg58  1  0.674814  0.410460  0.539699  1
  Mg  Mg59  1  0.946131  0.286162  0.535391  1
  Mg  Mg60  1  0.195485  0.783396  0.552737  1
  Mg  Mg61  1  0.549949  0.161859  0.531066  1
  Mg  Mg62  1  0.799809  0.659092  0.548364  1
  Mg  Mg63  1  0.153853  0.037616  0.526746  1
  Mg  Mg64  1  0.403599  0.534808  0.544052  1
  Mg  Mg65  1  0.922869  0.907615  0.557173  1
  Mg  Mg66  1  0.171933  0.404610  0.574402  1
  Mg  Mg67  1  0.443146  0.280283  0.570049  1
  Mg  Mg68  1  0.692611  0.777550  0.587345  1
  Mg  Mg69  1  0.046955  0.155999  0.565781  1
  Mg  Mg70  1  0.296982  0.653303  0.583130  1
  Mg  Mg71  1  0.650725  0.031759  0.561426  1
  Mg  Mg72  1  0.900785  0.528894  0.578684  1
  Mg  Mg73  1  0.419574  0.901689  0.592102  1
  Mg  Mg74  1  0.668878  0.398737  0.609167  1
  Mg  Mg75  1  0.939890  0.274400  0.604860  1
  Mg  Mg76  1  0.189574  0.771748  0.622264  1
  Mg  Mg77  1  0.543973  0.150119  0.600579  1
  Mg  Mg78  1  0.794414  0.647232  0.617817  1
  Mg  Mg79  1  0.147854  0.025896  0.596299  1
  Mg  Mg80  1  0.398012  0.523122  0.613520  1
  Mg  Mg81  1  0.916151  0.895881  0.626579  1
  Mg  Mg82  1  0.165928  0.392886  0.643489  1
  Mg  Mg83  1  0.436801  0.268692  0.639138  1
  Mg  Mg84  1  0.687265  0.765363  0.656134  1
  Mg  Mg85  1  0.041092  0.144359  0.634943  1
  Mg  Mg86  1  0.291366  0.641693  0.652288  1
  Mg  Mg87  1  0.644943  0.020098  0.630624  1
  Mg  Mg88  1  0.895264  0.517129  0.647765  1
  Mg  Mg89  1  0.413165  0.889821  0.660988  1
  Mg  Mg90  1  0.662940  0.387106  0.677514  1
  Mg  Mg91  1  0.935645  0.263053  0.673250  1
  Mg  Mg92  1  0.183704  0.759407  0.690418  1
  Mg  Mg93  1  0.538445  0.138980  0.668960  1
  Mg  Mg94  1  0.788163  0.635308  0.686105  1
  Mg  Mg95  1  0.141090  0.014441  0.664801  1
  Mg  Mg96  1  0.390234  0.511223  0.681817  1
  Mg  Mg97  1  0.906297  0.883698  0.694125  1
  Mg  Mg98  1  0.160204  0.381626  0.710653  1
  Mg  Mg99  1  0.430564  0.257643  0.706164  1
  Mg  Mg100  1  0.678788  0.751482  0.722907  1
  Mg  Mg101  1  0.036397  0.133624  0.702098  1
  Mg  Mg102  1  0.283157  0.628673  0.719306  1
  Mg  Mg103  1  0.642134  0.009893  0.697582  1
  Mg  Mg104  1  0.888654  0.505401  0.714760  1
