# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.39355478
_cell_length_b   11.47249172
_cell_length_c   46.09462031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg108
_cell_volume   5496.32120035
_cell_formula_units_Z   108
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  0.001991  0.468256  0.311554  1
  Mg  Mg2  1  0.998687  0.195530  0.295967  1
  Mg  Mg3  1  0.003431  0.927192  0.281414  1
  Mg  Mg4  1  0.251489  0.312331  0.322801  1
  Mg  Mg5  1  0.251489  0.043751  0.306758  1
  Mg  Mg6  1  0.251489  0.774407  0.291359  1
  Mg  Mg7  1  0.500986  0.468256  0.311554  1
  Mg  Mg8  1  0.504290  0.195530  0.295967  1
  Mg  Mg9  1  0.499547  0.927192  0.281414  1
  Mg  Mg10  1  0.751489  0.351281  0.286131  1
  Mg  Mg11  1  0.751489  0.893551  0.317197  1
  Mg  Mg12  1  0.751489  0.623748  0.300900  1
  Mg  Mg13  1  1.001349  0.275896  0.361866  1
  Mg  Mg14  1  0.002322  0.005636  0.346203  1
  Mg  Mg15  1  1.001060  0.735851  0.329155  1
  Mg  Mg16  1  0.251489  0.121329  0.373505  1
  Mg  Mg17  1  0.251489  0.851116  0.356897  1
  Mg  Mg18  1  0.251489  0.580656  0.340129  1
  Mg  Mg19  1  0.501628  0.275896  0.361866  1
  Mg  Mg20  1  0.500655  0.005636  0.346203  1
  Mg  Mg21  1  0.501917  0.735851  0.329155  1
  Mg  Mg22  1  0.751489  0.159235  0.334266  1
  Mg  Mg23  1  0.751489  0.699702  0.367528  1
  Mg  Mg24  1  0.751489  0.430904  0.350797  1
  Mg  Mg25  1  1.001484  0.083425  0.412491  1
  Mg  Mg26  1  0.001557  0.813283  0.395883  1
  Mg  Mg27  1  1.001338  0.544084  0.378836  1
  Mg  Mg28  1  0.251489  0.928477  0.423735  1
  Mg  Mg29  1  0.251489  0.658619  0.406964  1
  Mg  Mg30  1  0.251489  0.389360  0.390136  1
  Mg  Mg31  1  0.501493  0.083425  0.412491  1
  Mg  Mg32  1  0.501420  0.813283  0.395883  1
  Mg  Mg33  1  0.501639  0.544084  0.378836  1
  Mg  Mg34  1  0.751489  0.967981  0.384443  1
  Mg  Mg35  1  0.751489  0.507109  0.417717  1
  Mg  Mg36  1  0.751489  0.237840  0.400869  1
  Mg  Mg37  1  0.001510  0.890820  0.462676  1
  Mg  Mg38  1  0.001524  0.621258  0.445883  1
  Mg  Mg39  1  0.001509  0.352218  0.429028  1
  Mg  Mg40  1  0.251489  0.735991  0.473925  1
  Mg  Mg41  1  0.251489  0.466617  0.457183  1
  Mg  Mg42  1  0.251489  0.197591  0.440538  1
  Mg  Mg43  1  0.501468  0.890820  0.462676  1
  Mg  Mg44  1  0.501453  0.621258  0.445883  1
  Mg  Mg45  1  0.501469  0.352218  0.429028  1
  Mg  Mg46  1  0.751489  0.776062  0.434604  1
  Mg  Mg47  1  0.751489  0.314687  0.467874  1
  Mg  Mg48  1  0.751489  0.045510  0.451231  1
  Mg  Mg49  1  0.001491  0.698479  0.512817  1
  Mg  Mg50  1  0.001507  0.429150  0.496043  1
  Mg  Mg51  1  0.001508  0.160015  0.479380  1
  Mg  Mg52  1  0.251489  0.543713  0.524141  1
  Mg  Mg53  1  0.251489  0.274506  0.507464  1
  Mg  Mg54  1  0.251489  0.005231  0.490768  1
  Mg  Mg55  1  0.501486  0.698479  0.512817  1
  Mg  Mg56  1  0.501470  0.429150  0.496043  1
  Mg  Mg57  1  0.501469  0.160015  0.479380  1
  Mg  Mg58  1  0.751489  0.583899  0.484716  1
  Mg  Mg59  1  0.751489  0.122331  0.518132  1
  Mg  Mg60  1  0.751489  0.853268  0.501495  1
  Mg  Mg61  1  0.001511  0.506264  0.562996  1
  Mg  Mg62  1  0.001542  0.236918  0.546291  1
  Mg  Mg63  1  1.001482  0.967667  0.529669  1
  Mg  Mg64  1  0.251489  0.351529  0.574377  1
  Mg  Mg65  1  0.251489  0.082329  0.557722  1
  Mg  Mg66  1  0.251489  0.812796  0.540921  1
  Mg  Mg67  1  0.501467  0.506264  0.562996  1
  Mg  Mg68  1  0.501435  0.236918  0.546291  1
  Mg  Mg69  1  0.501496  0.967667  0.529669  1
  Mg  Mg70  1  0.751489  0.391662  0.534844  1
  Mg  Mg71  1  0.751489  0.930064  0.568505  1
  Mg  Mg72  1  0.751489  0.661137  0.551647  1
  Mg  Mg73  1  0.001828  0.314290  0.613154  1
  Mg  Mg74  1  1.001451  0.044764  0.596677  1
  Mg  Mg75  1  1.001425  0.775131  0.579857  1
  Mg  Mg76  1  0.251489  0.159763  0.624670  1
  Mg  Mg77  1  0.251489  0.889928  0.607676  1
  Mg  Mg78  1  0.251489  0.620195  0.591141  1
  Mg  Mg79  1  0.501149  0.314290  0.613154  1
  Mg  Mg80  1  0.501526  0.044764  0.596677  1
  Mg  Mg81  1  0.501553  0.775131  0.579857  1
  Mg  Mg82  1  0.751489  0.199122  0.584925  1
  Mg  Mg83  1  0.751489  0.737929  0.618769  1
  Mg  Mg84  1  0.751489  0.469253  0.601690  1
  Mg  Mg85  1  1.000508  0.123183  0.663501  1
  Mg  Mg86  1  1.001328  0.851897  0.646721  1
  Mg  Mg87  1  0.001671  0.582538  0.630193  1
  Mg  Mg88  1  0.251489  0.967758  0.673947  1
  Mg  Mg89  1  0.251489  0.697528  0.657669  1
  Mg  Mg90  1  0.251489  0.427482  0.641515  1
  Mg  Mg91  1  0.502469  0.123183  0.663501  1
  Mg  Mg92  1  0.501649  0.851897  0.646721  1
  Mg  Mg93  1  0.501306  0.582538  0.630193  1
  Mg  Mg94  1  0.751489  0.006742  0.635534  1
  Mg  Mg95  1  0.751489  0.546204  0.668658  1
  Mg  Mg96  1  0.751489  0.276737  0.651046  1
  Mg  Mg97  1  0.003419  0.931404  0.711939  1
  Mg  Mg98  1  1.000535  0.659731  0.697049  1
  Mg  Mg99  1  0.002383  0.389648  0.680417  1
  Mg  Mg100  1  0.251489  0.777889  0.722290  1
  Mg  Mg101  1  0.251489  0.507218  0.707231  1
  Mg  Mg102  1  0.251489  0.233919  0.691776  1
  Mg  Mg103  1  0.499559  0.931404  0.711939  1
  Mg  Mg104  1  0.502443  0.659731  0.697049  1
  Mg  Mg105  1  0.500594  0.389648  0.680417  1
  Mg  Mg106  1  0.751489  0.815661  0.685967  1
  Mg  Mg107  1  0.751489  0.350287  0.715376  1
  Mg  Mg108  1  0.751489  0.085042  0.701789  1
