# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16928679
_cell_length_b   31.29240702
_cell_length_c   49.14706644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.91438833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg96
_cell_volume   4867.8371413
_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  0.461276  0.960516  0.284290  1
  Mg  Mg2  1  0.627440  0.292959  0.302740  1
  Mg  Mg3  1  0.792319  0.622297  0.319231  1
  Mg  Mg4  1  0.582942  0.203670  0.332329  1
  Mg  Mg5  1  0.251858  0.541428  0.298195  1
  Mg  Mg6  1  0.418197  0.874165  0.315795  1
  Mg  Mg7  1  0.543130  0.123800  0.293273  1
  Mg  Mg8  1  0.709866  0.457558  0.311228  1
  Mg  Mg9  1  0.874782  0.787326  0.328381  1
  Mg  Mg10  1  1.001073  0.039908  0.305965  1
  Mg  Mg11  1  0.167154  0.372232  0.324441  1
  Mg  Mg12  1  0.835864  0.709460  0.288710  1
  Mg  Mg13  1  0.957672  0.953167  0.338333  1
  Mg  Mg14  1  0.123003  0.283959  0.356436  1
  Mg  Mg15  1  0.288421  0.614539  0.374246  1
  Mg  Mg16  1  0.079084  0.195970  0.387719  1
  Mg  Mg17  1  0.748392  0.534532  0.351922  1
  Mg  Mg18  1  0.913559  0.864894  0.369996  1
  Mg  Mg19  1  0.040191  0.118054  0.347152  1
  Mg  Mg20  1  0.205801  0.449422  0.365480  1
  Mg  Mg21  1  0.371033  0.779861  0.383524  1
  Mg  Mg22  1  0.497725  0.033210  0.360557  1
  Mg  Mg23  1  0.663033  0.363949  0.379011  1
  Mg  Mg24  1  0.332241  0.702219  0.342775  1
  Mg  Mg25  1  0.453600  0.945019  0.393436  1
  Mg  Mg26  1  0.618982  0.275858  0.411762  1
  Mg  Mg27  1  0.784514  0.606763  0.430247  1
  Mg  Mg28  1  0.575150  0.188114  0.443896  1
  Mg  Mg29  1  0.244447  0.526662  0.407319  1
  Mg  Mg30  1  0.409715  0.857228  0.425737  1
  Mg  Mg31  1  0.536459  0.110659  0.402533  1
  Mg  Mg32  1  0.701723  0.441261  0.421086  1
  Mg  Mg33  1  0.867103  0.772015  0.439558  1
  Mg  Mg34  1  0.993741  0.025269  0.416377  1
  Mg  Mg35  1  0.159038  0.355940  0.434910  1
  Mg  Mg36  1  0.828387  0.694534  0.398036  1
  Mg  Mg37  1  0.949748  0.937326  0.449241  1
  Mg  Mg38  1  0.115107  0.268082  0.467625  1
  Mg  Mg39  1  0.280579  0.598908  0.486214  1
  Mg  Mg40  1  0.071214  0.180254  0.499934  1
  Mg  Mg41  1  0.740508  0.518783  0.463054  1
  Mg  Mg42  1  0.905839  0.849496  0.481623  1
  Mg  Mg43  1  0.032485  0.102753  0.458359  1
  Mg  Mg44  1  0.197827  0.433461  0.476933  1
  Mg  Mg45  1  0.363211  0.764247  0.495555  1
  Mg  Mg46  1  0.489827  0.017465  0.472326  1
  Mg  Mg47  1  0.655167  0.348182  0.490837  1
  Mg  Mg48  1  0.324481  0.686744  0.453908  1
  Mg  Mg49  1  0.445855  0.929558  0.505149  1
  Mg  Mg50  1  0.611207  0.260277  0.523542  1
  Mg  Mg51  1  0.776681  0.591103  0.542113  1
  Mg  Mg52  1  0.567296  0.172432  0.555885  1
  Mg  Mg53  1  0.236618  0.510994  0.518904  1
  Mg  Mg54  1  0.401947  0.841739  0.537522  1
  Mg  Mg55  1  0.528566  0.094940  0.514287  1
  Mg  Mg56  1  0.693959  0.425716  0.532806  1
  Mg  Mg57  1  0.859308  0.756465  0.551488  1
  Mg  Mg58  1  0.985924  0.009681  0.528216  1
  Mg  Mg59  1  0.151282  0.340405  0.546695  1
  Mg  Mg60  1  0.820574  0.678945  0.509841  1
  Mg  Mg61  1  0.941952  0.921781  0.561135  1
  Mg  Mg62  1  0.107282  0.252442  0.579519  1
  Mg  Mg63  1  0.272808  0.583322  0.597956  1
  Mg  Mg64  1  0.063411  0.164677  0.611762  1
  Mg  Mg65  1  0.732755  0.503247  0.574822  1
  Mg  Mg66  1  0.898069  0.834014  0.593416  1
  Mg  Mg67  1  0.024653  0.087127  0.570290  1
  Mg  Mg68  1  0.190083  0.417954  0.588654  1
  Mg  Mg69  1  0.355328  0.748544  0.607299  1
  Mg  Mg70  1  0.482022  0.001899  0.584016  1
  Mg  Mg71  1  0.647377  0.332595  0.602433  1
  Mg  Mg72  1  0.316639  0.671082  0.565844  1
  Mg  Mg73  1  0.438072  0.914059  0.617188  1
  Mg  Mg74  1  0.603450  0.244810  0.635514  1
  Mg  Mg75  1  0.768808  0.575253  0.653270  1
  Mg  Mg76  1  0.559741  0.157346  0.666987  1
  Mg  Mg77  1  0.228781  0.495270  0.630718  1
  Mg  Mg78  1  0.394015  0.825946  0.648898  1
  Mg  Mg79  1  0.520744  0.079311  0.626297  1
  Mg  Mg80  1  0.686042  0.409861  0.644272  1
  Mg  Mg81  1  0.851541  0.741043  0.662662  1
  Mg  Mg82  1  0.978203  0.994283  0.639430  1
  Mg  Mg83  1  0.143468  0.324792  0.657854  1
  Mg  Mg84  1  0.812699  0.663206  0.621968  1
  Mg  Mg85  1  0.934101  0.906159  0.672184  1
  Mg  Mg86  1  0.099591  0.237121  0.690582  1
  Mg  Mg87  1  0.264466  0.566427  0.706996  1
  Mg  Mg88  1  0.055982  0.149852  0.721069  1
  Mg  Mg89  1  0.724731  0.487120  0.685304  1
  Mg  Mg90  1  0.889747  0.817394  0.703108  1
  Mg  Mg91  1  0.017323  0.072473  0.681261  1
  Mg  Mg92  1  0.182031  0.401828  0.698523  1
  Mg  Mg93  1  0.348117  0.734360  0.716731  1
  Mg  Mg94  1  0.474695  0.987290  0.692852  1
  Mg  Mg95  1  0.640060  0.318004  0.711595  1
  Mg  Mg96  1  0.308843  0.655504  0.677309  1
