# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50215536
_cell_length_b   20.93388231
_cell_length_c   45.73566319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.54185426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg104
_cell_volume   5222.3297386
_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  0.945393  0.958328  0.282495  1
  Mg  Mg2  1  0.196006  0.450834  0.299315  1
  Mg  Mg3  1  0.464649  0.326529  0.295200  1
  Mg  Mg4  1  0.720130  0.825215  0.311436  1
  Mg  Mg5  1  0.069520  0.202440  0.290714  1
  Mg  Mg6  1  0.323711  0.698508  0.307920  1
  Mg  Mg7  1  0.671483  0.079133  0.286548  1
  Mg  Mg8  1  0.927160  0.574924  0.303869  1
  Mg  Mg9  1  0.442570  0.948704  0.315111  1
  Mg  Mg10  1  0.693011  0.445228  0.332375  1
  Mg  Mg11  1  0.964800  0.321161  0.328101  1
  Mg  Mg12  1  0.215671  0.818506  0.344596  1
  Mg  Mg13  1  0.567128  0.197261  0.323910  1
  Mg  Mg14  1  0.819190  0.693874  0.340868  1
  Mg  Mg15  1  0.169631  0.073426  0.319764  1
  Mg  Mg16  1  0.421505  0.569241  0.336814  1
  Mg  Mg17  1  0.939441  0.943024  0.349395  1
  Mg  Mg18  1  0.189720  0.439616  0.366477  1
  Mg  Mg19  1  0.460187  0.315494  0.362237  1
  Mg  Mg20  1  0.711055  0.812447  0.379000  1
  Mg  Mg21  1  0.063913  0.191339  0.357934  1
  Mg  Mg22  1  0.315546  0.688267  0.374990  1
  Mg  Mg23  1  0.667765  0.066708  0.353434  1
  Mg  Mg24  1  0.919448  0.563927  0.370826  1
  Mg  Mg25  1  0.437140  0.936668  0.383335  1
  Mg  Mg26  1  0.686748  0.433969  0.400794  1
  Mg  Mg27  1  0.957372  0.309693  0.396538  1
  Mg  Mg28  1  0.207659  0.806626  0.413509  1
  Mg  Mg29  1  0.561402  0.185299  0.392188  1
  Mg  Mg30  1  0.812021  0.682402  0.409354  1
  Mg  Mg31  1  0.165694  0.061079  0.387894  1
  Mg  Mg32  1  0.415853  0.558206  0.405152  1
  Mg  Mg33  1  0.934529  0.930769  0.418232  1
  Mg  Mg34  1  0.183749  0.428068  0.435608  1
  Mg  Mg35  1  0.454774  0.303732  0.431312  1
  Mg  Mg36  1  0.704455  0.800723  0.448432  1
  Mg  Mg37  1  0.058500  0.179433  0.426987  1
  Mg  Mg38  1  0.308680  0.676551  0.444216  1
  Mg  Mg39  1  0.662580  0.055048  0.422565  1
  Mg  Mg40  1  0.912474  0.552319  0.439951  1
  Mg  Mg41  1  0.431633  0.924919  0.452872  1
  Mg  Mg42  1  0.680723  0.422183  0.470290  1
  Mg  Mg43  1  0.951909  0.297886  0.465989  1
  Mg  Mg44  1  0.201350  0.794959  0.483195  1
  Mg  Mg45  1  0.555722  0.173533  0.461651  1
  Mg  Mg46  1  0.805607  0.670719  0.478919  1
  Mg  Mg47  1  0.159743  0.049236  0.457316  1
  Mg  Mg48  1  0.409436  0.546477  0.474644  1
  Mg  Mg49  1  0.928804  0.919155  0.487696  1
  Mg  Mg50  1  0.177789  0.416318  0.505029  1
  Mg  Mg51  1  0.449022  0.291994  0.500698  1
  Mg  Mg52  1  0.698372  0.789163  0.517953  1
  Mg  Mg53  1  0.052802  0.167697  0.496389  1
  Mg  Mg54  1  0.302609  0.664917  0.513696  1
  Mg  Mg55  1  0.656756  0.043381  0.492011  1
  Mg  Mg56  1  0.906477  0.540611  0.509352  1
  Mg  Mg57  1  0.425804  0.913336  0.522461  1
  Mg  Mg58  1  0.674793  0.410443  0.539740  1
  Mg  Mg59  1  0.946100  0.286145  0.535432  1
  Mg  Mg60  1  0.195454  0.783379  0.552779  1
  Mg  Mg61  1  0.549927  0.161842  0.531107  1
  Mg  Mg62  1  0.799787  0.659075  0.548406  1
  Mg  Mg63  1  0.153840  0.037599  0.526787  1
  Mg  Mg64  1  0.403585  0.534791  0.544093  1
  Mg  Mg65  1  0.922847  0.907597  0.557216  1
  Mg  Mg66  1  0.171911  0.404592  0.574445  1
  Mg  Mg67  1  0.443115  0.280266  0.570092  1
  Mg  Mg68  1  0.692579  0.777533  0.587389  1
  Mg  Mg69  1  0.046933  0.155982  0.565825  1
  Mg  Mg70  1  0.296960  0.653285  0.583174  1
  Mg  Mg71  1  0.650712  0.031742  0.561469  1
  Mg  Mg72  1  0.900772  0.528877  0.578728  1
  Mg  Mg73  1  0.419551  0.901671  0.592147  1
  Mg  Mg74  1  0.668856  0.398719  0.609213  1
  Mg  Mg75  1  0.939858  0.274383  0.604906  1
  Mg  Mg76  1  0.189542  0.771731  0.622310  1
  Mg  Mg77  1  0.543950  0.150102  0.600625  1
  Mg  Mg78  1  0.794391  0.647214  0.617863  1
  Mg  Mg79  1  0.147841  0.025879  0.596344  1
  Mg  Mg80  1  0.397999  0.523104  0.613566  1
  Mg  Mg81  1  0.916128  0.895863  0.626625  1
  Mg  Mg82  1  0.165906  0.392868  0.643536  1
  Mg  Mg83  1  0.436768  0.268674  0.639185  1
  Mg  Mg84  1  0.687231  0.765344  0.656181  1
  Mg  Mg85  1  0.041068  0.144341  0.634990  1
  Mg  Mg86  1  0.291344  0.641674  0.652335  1
  Mg  Mg87  1  0.644930  0.020080  0.630671  1
  Mg  Mg88  1  0.895252  0.517111  0.647812  1
  Mg  Mg89  1  0.413141  0.889802  0.661037  1
  Mg  Mg90  1  0.662918  0.387088  0.677563  1
  Mg  Mg91  1  0.935609  0.263036  0.673299  1
  Mg  Mg92  1  0.183668  0.759386  0.690467  1
  Mg  Mg93  1  0.538420  0.138961  0.669010  1
  Mg  Mg94  1  0.788139  0.635289  0.686155  1
  Mg  Mg95  1  0.141078  0.014423  0.664850  1
  Mg  Mg96  1  0.390223  0.511205  0.681866  1
  Mg  Mg97  1  0.906270  0.883677  0.694175  1
  Mg  Mg98  1  0.160182  0.381609  0.710704  1
  Mg  Mg99  1  0.430524  0.257626  0.706214  1
  Mg  Mg100  1  0.678751  0.751462  0.722958  1
  Mg  Mg101  1  0.036373  0.133607  0.702148  1
  Mg  Mg102  1  0.283134  0.628654  0.719357  1
  Mg  Mg103  1  0.642128  0.009874  0.697632  1
  Mg  Mg104  1  0.888647  0.505383  0.714811  1
