# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48132200
_cell_length_b   8.48132360
_cell_length_c   41.17996000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.99999063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg112
_cell_volume   2565.33269737
_cell_formula_units_Z   112
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  Mg0  1  0.666667  0.666666  0.029522  1
  Mg  Mg1  1  0.666667  0.666666  0.151353  1
  Mg  Mg2  1  0.666667  0.666666  0.274952  1
  Mg  Mg3  1  0.666667  0.666666  0.398912  1
  Mg  Mg4  1  0.532096  0.373611  0.026520  1
  Mg  Mg5  1  0.523980  0.380517  0.151111  1
  Mg  Mg6  1  0.523755  0.380808  0.274729  1
  Mg  Mg7  1  0.525096  0.381123  0.398278  1
  Mg  Mg8  1  0.373611  0.094292  0.026520  1
  Mg  Mg9  1  0.380517  0.095503  0.151111  1
  Mg  Mg10  1  0.380808  0.095437  0.274729  1
  Mg  Mg11  1  0.381123  0.093780  0.398278  1
  Mg  Mg12  1  0.238364  0.799250  0.026302  1
  Mg  Mg13  1  0.237641  0.809592  0.151184  1
  Mg  Mg14  1  0.237752  0.809548  0.274821  1
  Mg  Mg15  1  0.236590  0.808777  0.398765  1
  Mg  Mg16  1  0.094292  0.532095  0.026520  1
  Mg  Mg17  1  0.095503  0.523979  0.151111  1
  Mg  Mg18  1  0.095437  0.523754  0.274729  1
  Mg  Mg19  1  0.093780  0.525095  0.398278  1
  Mg  Mg20  1  0.962387  0.238364  0.026302  1
  Mg  Mg21  1  0.952767  0.237641  0.151184  1
  Mg  Mg22  1  0.952702  0.237752  0.274821  1
  Mg  Mg23  1  0.954632  0.236590  0.398765  1
  Mg  Mg24  1  0.799250  0.962387  0.026302  1
  Mg  Mg25  1  0.809592  0.952767  0.151184  1
  Mg  Mg26  1  0.809548  0.952702  0.274821  1
  Mg  Mg27  1  0.808777  0.954632  0.398765  1
  Mg  Mg28  1  0.618877  0.906220  0.089526  1
  Mg  Mg29  1  0.619192  0.904563  0.213076  1
  Mg  Mg30  1  0.619483  0.904497  0.336694  1
  Mg  Mg31  1  0.626389  0.905708  0.461285  1
  Mg  Mg32  1  0.474904  0.618877  0.089526  1
  Mg  Mg33  1  0.476245  0.619192  0.213076  1
  Mg  Mg34  1  0.476020  0.619483  0.336694  1
  Mg  Mg35  1  0.467904  0.626389  0.461285  1
  Mg  Mg36  1  0.333333  0.333334  0.088892  1
  Mg  Mg37  1  0.333333  0.333334  0.212853  1
  Mg  Mg38  1  0.333333  0.333334  0.336452  1
  Mg  Mg39  1  0.333333  0.333334  0.458283  1
  Mg  Mg40  1  0.191223  0.045368  0.089039  1
  Mg  Mg41  1  0.190452  0.047298  0.212984  1
  Mg  Mg42  1  0.190408  0.047233  0.336621  1
  Mg  Mg43  1  0.200750  0.037613  0.461503  1
  Mg  Mg44  1  0.045368  0.763410  0.089039  1
  Mg  Mg45  1  0.047298  0.762248  0.212984  1
  Mg  Mg46  1  0.047233  0.762359  0.336621  1
  Mg  Mg47  1  0.037613  0.761636  0.461503  1
  Mg  Mg48  1  0.906220  0.474905  0.089526  1
  Mg  Mg49  1  0.904563  0.476246  0.213076  1
  Mg  Mg50  1  0.904497  0.476021  0.336694  1
  Mg  Mg51  1  0.905708  0.467905  0.461285  1
  Mg  Mg52  1  0.763410  0.191223  0.089039  1
  Mg  Mg53  1  0.762248  0.190452  0.212984  1
  Mg  Mg54  1  0.762359  0.190408  0.336621  1
  Mg  Mg55  1  0.761636  0.200750  0.461503  1
  Mg  Mg56  1  0.626389  0.467904  0.526520  1
  Mg  Mg57  1  0.619483  0.476020  0.651111  1
  Mg  Mg58  1  0.619192  0.476245  0.774729  1
  Mg  Mg59  1  0.618877  0.474904  0.898278  1
  Mg  Mg60  1  0.333333  0.333333  0.529522  1
  Mg  Mg61  1  0.333333  0.333333  0.651353  1
  Mg  Mg62  1  0.333333  0.333333  0.774952  1
  Mg  Mg63  1  0.333333  0.333333  0.898912  1
  Mg  Mg64  1  0.037613  0.200750  0.526302  1
  Mg  Mg65  1  0.047233  0.190408  0.651184  1
  Mg  Mg66  1  0.047298  0.190452  0.774821  1
  Mg  Mg67  1  0.045368  0.191223  0.898765  1
  Mg  Mg68  1  0.761636  0.037613  0.526302  1
  Mg  Mg69  1  0.762359  0.047233  0.651184  1
  Mg  Mg70  1  0.762248  0.047298  0.774821  1
  Mg  Mg71  1  0.763410  0.045368  0.898765  1
  Mg  Mg72  1  0.467904  0.905708  0.526520  1
  Mg  Mg73  1  0.476020  0.904497  0.651111  1
  Mg  Mg74  1  0.476245  0.904563  0.774729  1
  Mg  Mg75  1  0.474904  0.906220  0.898278  1
  Mg  Mg76  1  0.200750  0.761636  0.526302  1
  Mg  Mg77  1  0.190408  0.762359  0.651184  1
  Mg  Mg78  1  0.190452  0.762248  0.774821  1
  Mg  Mg79  1  0.191223  0.763410  0.898765  1
  Mg  Mg80  1  0.905708  0.626388  0.526520  1
  Mg  Mg81  1  0.904497  0.619482  0.651111  1
  Mg  Mg82  1  0.904563  0.619191  0.774729  1
  Mg  Mg83  1  0.906220  0.618876  0.898278  1
  Mg  Mg84  1  0.666667  0.666667  0.588892  1
  Mg  Mg85  1  0.666667  0.666667  0.712853  1
  Mg  Mg86  1  0.666667  0.666667  0.836452  1
  Mg  Mg87  1  0.666667  0.666667  0.958283  1
  Mg  Mg88  1  0.381123  0.525096  0.589526  1
  Mg  Mg89  1  0.380808  0.523755  0.713076  1
  Mg  Mg90  1  0.380517  0.523980  0.836694  1
  Mg  Mg91  1  0.373611  0.532096  0.961285  1
  Mg  Mg92  1  0.093780  0.381124  0.589526  1
  Mg  Mg93  1  0.095437  0.380809  0.713076  1
  Mg  Mg94  1  0.095503  0.380518  0.836694  1
  Mg  Mg95  1  0.094292  0.373612  0.961285  1
  Mg  Mg96  1  0.808777  0.236590  0.589039  1
  Mg  Mg97  1  0.809548  0.237752  0.712984  1
  Mg  Mg98  1  0.809592  0.237641  0.836621  1
  Mg  Mg99  1  0.799250  0.238364  0.961503  1
  Mg  Mg100  1  0.525096  0.093780  0.589526  1
  Mg  Mg101  1  0.523755  0.095437  0.713076  1
  Mg  Mg102  1  0.523980  0.095503  0.836694  1
  Mg  Mg103  1  0.532096  0.094292  0.961285  1
  Mg  Mg104  1  0.236590  0.954632  0.589039  1
  Mg  Mg105  1  0.237752  0.952702  0.712984  1
  Mg  Mg106  1  0.237641  0.952767  0.836621  1
  Mg  Mg107  1  0.238364  0.962387  0.961503  1
  Mg  Mg108  1  0.954632  0.808777  0.589039  1
  Mg  Mg109  1  0.952702  0.809548  0.712984  1
  Mg  Mg110  1  0.952767  0.809592  0.836621  1
  Mg  Mg111  1  0.962387  0.799250  0.961503  1
