# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17316778
_cell_length_b   13.35444607
_cell_length_c   47.55169300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.15541836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   2000.68462034
_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  0.335676  0.209438  0.278890  1
  Mg  Mg2  1  0.019469  0.841257  0.319273  1
  Mg  Mg3  1  0.619063  0.642228  0.300898  1
  Mg  Mg4  1  0.218566  0.443538  0.282138  1
  Mg  Mg5  1  0.901956  0.076942  0.323365  1
  Mg  Mg6  1  0.585352  0.709649  0.364461  1
  Mg  Mg7  1  0.184069  0.512383  0.345743  1
  Mg  Mg8  1  0.782543  0.315673  0.328053  1
  Mg  Mg9  1  0.466404  0.947798  0.369193  1
  Mg  Mg10  1  0.150371  0.579692  0.410028  1
  Mg  Mg11  1  0.748704  0.383199  0.391579  1
  Mg  Mg12  1  0.347455  0.185929  0.372682  1
  Mg  Mg13  1  0.031354  0.817882  0.414249  1
  Mg  Mg14  1  0.715238  0.449984  0.455869  1
  Mg  Mg15  1  0.313607  0.253398  0.437043  1
  Mg  Mg16  1  0.911859  0.057041  0.418324  1
  Mg  Mg17  1  0.596189  0.688226  0.459768  1
  Mg  Mg18  1  0.280184  0.320108  0.501448  1
  Mg  Mg19  1  0.878478  0.123657  0.482658  1
  Mg  Mg20  1  0.476829  0.927092  0.463747  1
  Mg  Mg21  1  0.160929  0.558756  0.505465  1
  Mg  Mg22  1  0.845021  0.190441  0.547022  1
  Mg  Mg23  1  0.443451  0.993717  0.528138  1
  Mg  Mg24  1  0.041748  0.797260  0.509311  1
  Mg  Mg25  1  0.725846  0.428939  0.551034  1
  Mg  Mg26  1  0.409910  0.060660  0.592355  1
  Mg  Mg27  1  0.008401  0.863814  0.573704  1
  Mg  Mg28  1  0.606583  0.667597  0.555056  1
  Mg  Mg29  1  0.290651  0.299355  0.596669  1
  Mg  Mg30  1  0.974382  0.931626  0.637530  1
  Mg  Mg31  1  0.573035  0.734527  0.619582  1
  Mg  Mg32  1  0.171540  0.537701  0.600658  1
  Mg  Mg33  1  0.855856  0.168995  0.641726  1
  Mg  Mg34  1  0.538552  0.803178  0.683101  1
  Mg  Mg35  1  0.137976  0.604672  0.664554  1
  Mg  Mg36  1  0.736507  0.407830  0.646395  1
  Mg  Mg37  1  0.421072  0.038455  0.687808  1
  Mg  Mg38  1  0.104330  0.671779  0.726971  1
  Mg  Mg39  1  0.702879  0.475048  0.709673  1
  Mg  Mg40  1  0.302574  0.275860  0.691456  1
