# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17820596
_cell_length_b   13.38928940
_cell_length_c   47.80034876
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.84277434
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   2019.60301375
_cell_formula_units_Z   40
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  0.546420  0.211243  0.278264  1
  Mg  Mg2  1  0.861348  0.840016  0.317808  1
  Mg  Mg3  1  0.262196  0.642031  0.299709  1
  Mg  Mg4  1  0.663410  0.445050  0.281558  1
  Mg  Mg5  1  0.979272  0.077193  0.321697  1
  Mg  Mg6  1  0.296478  0.710533  0.363444  1
  Mg  Mg7  1  0.697850  0.513614  0.345117  1
  Mg  Mg8  1  0.099315  0.317006  0.326884  1
  Mg  Mg9  1  0.415050  0.948218  0.367614  1
  Mg  Mg10  1  0.731418  0.580539  0.409156  1
  Mg  Mg11  1  0.132657  0.383377  0.390638  1
  Mg  Mg12  1  0.533766  0.186094  0.371564  1
  Mg  Mg13  1  0.850380  0.818785  0.413155  1
  Mg  Mg14  1  0.166471  0.450694  0.454757  1
  Mg  Mg15  1  0.567831  0.253743  0.435995  1
  Mg  Mg16  1  0.969380  0.057214  0.417195  1
  Mg  Mg17  1  0.285614  0.689271  0.458750  1
  Mg  Mg18  1  0.601663  0.321103  0.500288  1
  Mg  Mg19  1  1.003164  0.124408  0.481526  1
  Mg  Mg20  1  0.404697  0.927786  0.462742  1
  Mg  Mg21  1  0.720827  0.559731  0.504317  1
  Mg  Mg22  1  0.036922  0.191624  0.545829  1
  Mg  Mg23  1  0.438432  0.994945  0.527045  1
  Mg  Mg24  1  0.839945  0.798275  0.508308  1
  Mg  Mg25  1  0.156029  0.430172  0.549861  1
  Mg  Mg26  1  0.472167  0.062068  0.591317  1
  Mg  Mg27  1  0.873677  0.865436  0.572579  1
  Mg  Mg28  1  0.275172  0.668746  0.553896  1
  Mg  Mg29  1  0.591241  0.300627  0.595419  1
  Mg  Mg30  1  0.907639  0.932895  0.636801  1
  Mg  Mg31  1  0.309124  0.736320  0.618198  1
  Mg  Mg32  1  0.710344  0.539126  0.599449  1
  Mg  Mg33  1  0.026315  0.170756  0.640831  1
  Mg  Mg34  1  0.343569  0.804610  0.682640  1
  Mg  Mg35  1  0.744257  0.606635  0.663406  1
  Mg  Mg36  1  0.145236  0.408991  0.645078  1
  Mg  Mg37  1  0.461782  0.041418  0.686236  1
  Mg  Mg38  1  0.776923  0.671661  0.726066  1
  Mg  Mg39  1  0.178905  0.476220  0.708662  1
  Mg  Mg40  1  0.579752  0.278261  0.690499  1
