# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17480215
_cell_length_b   13.42716709
_cell_length_c   50.65812780
_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   2159.4850139
_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  1.060987  0.430956  0.282459  1
  Mg  Mg2  1  1.060987  0.208967  0.262079  1
  Mg  Mg3  1  1.060987  0.840357  0.288874  1
  Mg  Mg4  1  0.560987  0.265341  0.312960  1
  Mg  Mg5  1  0.560987  0.008367  0.258948  1
  Mg  Mg6  1  0.560987  0.635286  0.286223  1
  Mg  Mg7  1  1.060987  0.321389  0.364980  1
  Mg  Mg8  1  0.060987  0.062364  0.309471  1
  Mg  Mg9  1  1.060987  0.691557  0.337046  1
  Mg  Mg10  1  0.560987  0.117508  0.361539  1
  Mg  Mg11  1  0.560987  0.895138  0.340294  1
  Mg  Mg12  1  0.560987  0.487596  0.333534  1
  Mg  Mg13  1  0.060987  0.173381  0.413885  1
  Mg  Mg14  1  1.060987  0.950999  0.392839  1
  Mg  Mg15  1  1.060987  0.543638  0.385793  1
  Mg  Mg16  1  0.560987  0.006757  0.445340  1
  Mg  Mg17  1  0.560987  0.747458  0.389336  1
  Mg  Mg18  1  0.560987  0.377137  0.417369  1
  Mg  Mg19  1  0.060987  0.062343  0.497834  1
  Mg  Mg20  1  1.060987  0.803018  0.441814  1
  Mg  Mg21  1  0.060987  0.432684  0.469792  1
  Mg  Mg22  1  0.560987  0.858614  0.494281  1
  Mg  Mg23  1  0.560987  0.599289  0.438260  1
  Mg  Mg24  1  0.560987  0.228948  0.466303  1
  Mg  Mg25  1  1.060987  0.914174  0.546759  1
  Mg  Mg26  1  1.060987  0.654875  0.490755  1
  Mg  Mg27  1  0.060987  0.284495  0.518726  1
  Mg  Mg28  1  0.560987  0.710633  0.543256  1
  Mg  Mg29  1  0.560987  0.488251  0.522210  1
  Mg  Mg30  1  0.560987  0.117994  0.550301  1
  Mg  Mg31  1  1.060987  0.766494  0.595801  1
  Mg  Mg32  1  1.060987  0.544124  0.574556  1
  Mg  Mg33  1  1.060987  0.174036  0.602561  1
  Mg  Mg34  1  0.560987  0.599268  0.626624  1
  Mg  Mg35  1  0.560987  0.340243  0.571114  1
  Mg  Mg36  1  0.560987  0.970075  0.599049  1
  Mg  Mg37  1  1.060987  0.653265  0.677147  1
  Mg  Mg38  1  1.060987  0.396291  0.623134  1
  Mg  Mg39  1  1.060987  0.026346  0.649872  1
  Mg  Mg40  1  0.560987  0.452665  0.674016  1
  Mg  Mg41  1  0.560987  0.230676  0.653636  1
  Mg  Mg42  1  0.560987  0.821275  0.647221  1
