# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17461511
_cell_length_b   20.96599021
_cell_length_c   48.90314442
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.65410185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg64
_cell_volume   3245.5831361
_cell_formula_units_Z   64
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  0.513540  0.912666  0.285519  1
  Mg  Mg2  1  0.268645  0.402335  0.312173  1
  Mg  Mg3  1  0.826689  0.286264  0.287736  1
  Mg  Mg4  1  0.579957  0.779727  0.314507  1
  Mg  Mg5  1  0.390167  0.159340  0.298460  1
  Mg  Mg6  1  0.144288  0.651054  0.326192  1
  Mg  Mg7  1  0.954926  0.029848  0.309224  1
  Mg  Mg8  1  0.709198  0.521237  0.336824  1
  Mg  Mg9  1  0.021945  0.895799  0.339383  1
  Mg  Mg10  1  0.776324  0.386995  0.366517  1
  Mg  Mg11  1  0.334995  0.269661  0.341589  1
  Mg  Mg12  1  0.089147  0.761355  0.368952  1
  Mg  Mg13  1  0.899191  0.141287  0.352666  1
  Mg  Mg14  1  0.653503  0.632635  0.380436  1
  Mg  Mg15  1  0.463442  0.012798  0.363977  1
  Mg  Mg16  1  0.217758  0.504130  0.391728  1
  Mg  Mg17  1  0.530755  0.878169  0.394634  1
  Mg  Mg18  1  0.284965  0.369724  0.422235  1
  Mg  Mg19  1  0.843558  0.252539  0.396888  1
  Mg  Mg20  1  0.597954  0.743746  0.424612  1
  Mg  Mg21  1  0.407904  0.123861  0.408347  1
  Mg  Mg22  1  0.162250  0.615151  0.436185  1
  Mg  Mg23  1  0.972213  0.995253  0.419918  1
  Mg  Mg24  1  0.726482  0.486692  0.447734  1
  Mg  Mg25  1  0.039459  0.860757  0.450451  1
  Mg  Mg26  1  0.793695  0.352270  0.478132  1
  Mg  Mg27  1  0.352245  0.235171  0.452647  1
  Mg  Mg28  1  0.106591  0.726475  0.480509  1
  Mg  Mg29  1  0.916578  0.106514  0.464236  1
  Mg  Mg30  1  0.670865  0.597926  0.492099  1
  Mg  Mg31  1  0.480892  0.977893  0.475876  1
  Mg  Mg32  1  0.235154  0.469354  0.503668  1
  Mg  Mg33  1  0.548097  0.843482  0.506388  1
  Mg  Mg34  1  0.302398  0.334869  0.534020  1
  Mg  Mg35  1  0.860938  0.217790  0.508514  1
  Mg  Mg36  1  0.615199  0.709258  0.536425  1
  Mg  Mg37  1  0.425243  0.089188  0.520139  1
  Mg  Mg38  1  0.179489  0.580681  0.548004  1
  Mg  Mg39  1  0.989531  0.960618  0.531792  1
  Mg  Mg40  1  0.743843  0.451981  0.559521  1
  Mg  Mg41  1  0.056737  0.826206  0.562413  1
  Mg  Mg42  1  0.811133  0.317406  0.589894  1
  Mg  Mg43  1  0.369636  0.200399  0.564437  1
  Mg  Mg44  1  0.123780  0.692096  0.592327  1
  Mg  Mg45  1  0.933885  0.071907  0.576057  1
  Mg  Mg46  1  0.688151  0.563356  0.603846  1
  Mg  Mg47  1  0.498187  0.943308  0.587622  1
  Mg  Mg48  1  0.252523  0.434622  0.615255  1
  Mg  Mg49  1  0.565433  0.808822  0.618523  1
  Mg  Mg50  1  0.319628  0.300425  0.645601  1
  Mg  Mg51  1  0.878300  0.183079  0.620424  1
  Mg  Mg52  1  0.632635  0.674378  0.647889  1
  Mg  Mg53  1  0.442565  0.054554  0.631767  1
  Mg  Mg54  1  0.196946  0.545759  0.659445  1
  Mg  Mg55  1  0.006844  0.926002  0.643022  1
  Mg  Mg56  1  0.761022  0.417628  0.670654  1
  Mg  Mg57  1  0.074069  0.791559  0.673704  1
  Mg  Mg58  1  0.827385  0.284926  0.699962  1
  Mg  Mg59  1  0.386567  0.166552  0.675252  1
  Mg  Mg60  1  0.142462  0.654680  0.702119  1
  Mg  Mg61  1  0.951124  0.037438  0.685912  1
  Mg  Mg62  1  0.706217  0.527211  0.713841  1
  Mg  Mg63  1  0.514348  0.911008  0.696696  1
  Mg  Mg64  1  0.269577  0.400523  0.724575  1
