# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18182725
_cell_length_b   13.39418261
_cell_length_c   50.64228251
_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   2158.27154258
_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  0.559748  0.267444  0.313025  1
  Mg  Mg2  1  0.559748  0.010531  0.259030  1
  Mg  Mg3  1  0.559748  0.637663  0.286338  1
  Mg  Mg4  1  1.059748  0.433369  0.282590  1
  Mg  Mg5  1  1.059748  0.211323  0.262120  1
  Mg  Mg6  1  1.059748  0.842552  0.288971  1
  Mg  Mg7  1  0.559748  0.119305  0.361658  1
  Mg  Mg8  1  0.559748  0.897041  0.340385  1
  Mg  Mg9  1  0.559748  0.489635  0.333679  1
  Mg  Mg10  1  1.059748  0.323126  0.365069  1
  Mg  Mg11  1  1.059748  0.064518  0.309568  1
  Mg  Mg12  1  1.059748  0.693509  0.337176  1
  Mg  Mg13  1  0.559748  0.008025  0.445451  1
  Mg  Mg14  1  0.559748  0.749073  0.389468  1
  Mg  Mg15  1  0.559748  0.378562  0.417482  1
  Mg  Mg16  1  1.059748  0.174865  0.414025  1
  Mg  Mg17  1  1.059748  0.952565  0.392937  1
  Mg  Mg18  1  1.059748  0.545300  0.385955  1
  Mg  Mg19  1  0.559748  0.859646  0.494432  1
  Mg  Mg20  1  0.559748  0.600663  0.438431  1
  Mg  Mg21  1  0.559748  0.230151  0.466463  1
  Mg  Mg22  1  1.059748  0.063325  0.497957  1
  Mg  Mg23  1  1.059748  0.804342  0.441955  1
  Mg  Mg24  1  1.059748  0.433837  0.469925  1
  Mg  Mg25  1  0.559748  0.711423  0.543451  1
  Mg  Mg26  1  0.559748  0.489123  0.522363  1
  Mg  Mg27  1  0.559748  0.118687  0.550433  1
  Mg  Mg28  1  1.059748  0.914915  0.546919  1
  Mg  Mg29  1  1.059748  0.655962  0.490937  1
  Mg  Mg30  1  1.059748  0.285425  0.518905  1
  Mg  Mg31  1  0.559748  0.599470  0.626820  1
  Mg  Mg32  1  0.559748  0.340862  0.571319  1
  Mg  Mg33  1  0.559748  0.970478  0.599212  1
  Mg  Mg34  1  1.059748  0.766946  0.596002  1
  Mg  Mg35  1  1.059748  0.544682  0.574730  1
  Mg  Mg36  1  1.059748  0.174353  0.602709  1
  Mg  Mg37  1  0.559748  0.452665  0.674268  1
  Mg  Mg38  1  0.559748  0.230619  0.653798  1
  Mg  Mg39  1  0.559748  0.821435  0.647417  1
  Mg  Mg40  1  1.059748  0.653457  0.677358  1
  Mg  Mg41  1  1.059748  0.396544  0.623363  1
  Mg  Mg42  1  1.059748  0.026325  0.650050  1
