# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19272469
_cell_length_b   8.41770747
_cell_length_c   47.20762776
_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   Mg42
_cell_volume   2063.48494217
_cell_formula_units_Z   42
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  0.252525  0.217371  0.317119  1
  Mg  Mg2  1  0.252525  0.935563  0.274262  1
  Mg  Mg3  1  0.252525  0.572715  0.294499  1
  Mg  Mg4  1  0.752525  0.147443  0.281094  1
  Mg  Mg5  1  0.752525  0.789243  0.301798  1
  Mg  Mg6  1  0.752525  0.434063  0.324290  1
  Mg  Mg7  1  0.252525  0.144695  0.383549  1
  Mg  Mg8  1  0.252525  0.858485  0.339090  1
  Mg  Mg9  1  0.252525  0.502454  0.361231  1
  Mg  Mg10  1  0.752525  0.074512  0.346536  1
  Mg  Mg11  1  0.752525  0.718071  0.368772  1
  Mg  Mg12  1  0.752525  0.360588  0.390985  1
  Mg  Mg13  1  0.252525  0.073136  0.450348  1
  Mg  Mg14  1  0.252525  0.787563  0.405821  1
  Mg  Mg15  1  0.252525  0.430309  0.428030  1
  Mg  Mg16  1  0.752525  0.003397  0.413356  1
  Mg  Mg17  1  0.752525  0.646080  0.435606  1
  Mg  Mg18  1  0.752525  0.288979  0.457874  1
  Mg  Mg19  1  0.252525  1.001502  0.517156  1
  Mg  Mg20  1  0.252525  0.715864  0.472612  1
  Mg  Mg21  1  0.252525  0.358712  0.494872  1
  Mg  Mg22  1  0.752525  0.931705  0.480167  1
  Mg  Mg23  1  0.752525  0.574496  0.502450  1
  Mg  Mg24  1  0.752525  0.217343  0.524710  1
  Mg  Mg25  1  0.252525  0.929810  0.583966  1
  Mg  Mg26  1  0.252525  0.644228  0.539449  1
  Mg  Mg27  1  0.252525  0.287127  0.561716  1
  Mg  Mg28  1  0.752525  0.860072  0.546975  1
  Mg  Mg29  1  0.752525  0.502899  0.569293  1
  Mg  Mg30  1  0.752525  0.145645  0.591502  1
  Mg  Mg31  1  0.252525  0.858695  0.650787  1
  Mg  Mg32  1  0.252525  0.572619  0.606337  1
  Mg  Mg33  1  0.252525  0.215137  0.628550  1
  Mg  Mg34  1  0.752525  0.788513  0.613773  1
  Mg  Mg35  1  0.752525  0.430753  0.636092  1
  Mg  Mg36  1  0.752525  0.074722  0.658232  1
  Mg  Mg37  1  0.252525  0.785765  0.716229  1
  Mg  Mg38  1  0.252525  0.499144  0.673033  1
  Mg  Mg39  1  0.252525  0.143965  0.695524  1
  Mg  Mg40  1  0.752525  0.715836  0.680203  1
  Mg  Mg41  1  0.752525  0.360492  0.702823  1
  Mg  Mg42  1  0.752525  0.997645  0.723061  1
