# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16928683
_cell_length_b   31.29240619
_cell_length_c   49.14707111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.08560908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4867.83753164
_cell_formula_units_Z   96
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  0.500908  0.960516  0.284290  1
  Mg  Mg2  1  0.334747  0.292959  0.302740  1
  Mg  Mg3  1  0.169867  0.622296  0.319231  1
  Mg  Mg4  1  0.379243  0.203670  0.332329  1
  Mg  Mg5  1  0.710328  0.541428  0.298195  1
  Mg  Mg6  1  0.543990  0.874164  0.315795  1
  Mg  Mg7  1  0.419055  0.123800  0.293274  1
  Mg  Mg8  1  0.252320  0.457558  0.311228  1
  Mg  Mg9  1  0.087403  0.787326  0.328381  1
  Mg  Mg10  1  0.961112  0.039908  0.305965  1
  Mg  Mg11  1  0.795033  0.372232  0.324441  1
  Mg  Mg12  1  0.126322  0.709459  0.288710  1
  Mg  Mg13  1  0.004513  0.953166  0.338333  1
  Mg  Mg14  1  0.839184  0.283958  0.356437  1
  Mg  Mg15  1  0.673765  0.614539  0.374246  1
  Mg  Mg16  1  0.883101  0.195970  0.387719  1
  Mg  Mg17  1  0.213794  0.534531  0.351922  1
  Mg  Mg18  1  0.048627  0.864894  0.369996  1
  Mg  Mg19  1  0.921993  0.118054  0.347152  1
  Mg  Mg20  1  0.756385  0.449422  0.365480  1
  Mg  Mg21  1  0.591152  0.779861  0.383524  1
  Mg  Mg22  1  0.464460  0.033210  0.360557  1
  Mg  Mg23  1  0.299154  0.363949  0.379011  1
  Mg  Mg24  1  0.629944  0.702219  0.342776  1
  Mg  Mg25  1  0.508585  0.945019  0.393436  1
  Mg  Mg26  1  0.343205  0.275858  0.411762  1
  Mg  Mg27  1  0.177671  0.606763  0.430247  1
  Mg  Mg28  1  0.387035  0.188114  0.443896  1
  Mg  Mg29  1  0.717738  0.526661  0.407319  1
  Mg  Mg30  1  0.552471  0.857227  0.425737  1
  Mg  Mg31  1  0.425726  0.110659  0.402534  1
  Mg  Mg32  1  0.260463  0.441261  0.421086  1
  Mg  Mg33  1  0.095082  0.772014  0.439559  1
  Mg  Mg34  1  0.968444  0.025269  0.416377  1
  Mg  Mg35  1  0.803148  0.355940  0.434910  1
  Mg  Mg36  1  0.133798  0.694534  0.398036  1
  Mg  Mg37  1  0.012437  0.937325  0.449241  1
  Mg  Mg38  1  0.847079  0.268082  0.467626  1
  Mg  Mg39  1  0.681606  0.598907  0.486214  1
  Mg  Mg40  1  0.890972  0.180253  0.499934  1
  Mg  Mg41  1  0.221678  0.518783  0.463054  1
  Mg  Mg42  1  0.056347  0.849495  0.481623  1
  Mg  Mg43  1  0.929700  0.102753  0.458360  1
  Mg  Mg44  1  0.764359  0.433461  0.476934  1
  Mg  Mg45  1  0.598974  0.764247  0.495555  1
  Mg  Mg46  1  0.472358  0.017464  0.472326  1
  Mg  Mg47  1  0.307019  0.348182  0.490837  1
  Mg  Mg48  1  0.637704  0.686743  0.453908  1
  Mg  Mg49  1  0.516330  0.929558  0.505149  1
  Mg  Mg50  1  0.350979  0.260277  0.523542  1
  Mg  Mg51  1  0.185504  0.591103  0.542113  1
  Mg  Mg52  1  0.394890  0.172432  0.555885  1
  Mg  Mg53  1  0.725567  0.510994  0.518904  1
  Mg  Mg54  1  0.560238  0.841738  0.537523  1
  Mg  Mg55  1  0.433619  0.094939  0.514287  1
  Mg  Mg56  1  0.268226  0.425716  0.532806  1
  Mg  Mg57  1  0.102877  0.756465  0.551488  1
  Mg  Mg58  1  0.976261  0.009680  0.528216  1
  Mg  Mg59  1  0.810904  0.340404  0.546695  1
  Mg  Mg60  1  0.141611  0.678944  0.509841  1
  Mg  Mg61  1  0.020233  0.921781  0.561135  1
  Mg  Mg62  1  0.854904  0.252441  0.579519  1
  Mg  Mg63  1  0.689378  0.583321  0.597956  1
  Mg  Mg64  1  0.898774  0.164677  0.611763  1
  Mg  Mg65  1  0.229431  0.503247  0.574822  1
  Mg  Mg66  1  0.064116  0.834013  0.593416  1
  Mg  Mg67  1  0.937532  0.087127  0.570290  1
  Mg  Mg68  1  0.772102  0.417953  0.588654  1
  Mg  Mg69  1  0.606858  0.748544  0.607299  1
  Mg  Mg70  1  0.480163  0.001899  0.584016  1
  Mg  Mg71  1  0.314809  0.332594  0.602433  1
  Mg  Mg72  1  0.645546  0.671082  0.565844  1
  Mg  Mg73  1  0.524114  0.914058  0.617188  1
  Mg  Mg74  1  0.358736  0.244810  0.635514  1
  Mg  Mg75  1  0.193378  0.575253  0.653270  1
  Mg  Mg76  1  0.402444  0.157346  0.666987  1
  Mg  Mg77  1  0.733405  0.495270  0.630718  1
  Mg  Mg78  1  0.568171  0.825945  0.648898  1
  Mg  Mg79  1  0.441441  0.079311  0.626298  1
  Mg  Mg80  1  0.276143  0.409861  0.644272  1
  Mg  Mg81  1  0.110645  0.741043  0.662662  1
  Mg  Mg82  1  0.983982  0.994282  0.639430  1
  Mg  Mg83  1  0.818718  0.324792  0.657854  1
  Mg  Mg84  1  0.149486  0.663206  0.621968  1
  Mg  Mg85  1  0.028084  0.906159  0.672184  1
  Mg  Mg86  1  0.862595  0.237121  0.690583  1
  Mg  Mg87  1  0.697720  0.566426  0.706996  1
  Mg  Mg88  1  0.906203  0.149852  0.721069  1
  Mg  Mg89  1  0.237455  0.487120  0.685304  1
  Mg  Mg90  1  0.072438  0.817394  0.703108  1
  Mg  Mg91  1  0.944863  0.072472  0.681261  1
  Mg  Mg92  1  0.780155  0.401827  0.698524  1
  Mg  Mg93  1  0.614069  0.734359  0.716731  1
  Mg  Mg94  1  0.487490  0.987290  0.692852  1
  Mg  Mg95  1  0.322126  0.318004  0.711595  1
  Mg  Mg96  1  0.653342  0.655504  0.677309  1
