# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19257698
_cell_length_b   5.18272971
_cell_length_c   49.72441238
_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   Mg16
_cell_volume   822.753232186
_cell_formula_units_Z   16
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  0.500536  0.750423  0.316071  1
  Mg  Mg2  1  1.000536  0.250423  0.297564  1
  Mg  Mg3  1  1.000536  0.750423  0.371142  1
  Mg  Mg4  1  0.500536  0.250423  0.352543  1
  Mg  Mg5  1  0.500536  0.750423  0.426740  1
  Mg  Mg6  1  1.000536  0.250423  0.408049  1
  Mg  Mg7  1  1.000536  0.750423  0.482436  1
  Mg  Mg8  1  0.500536  0.250423  0.463787  1
  Mg  Mg9  1  0.500536  0.750423  0.538149  1
  Mg  Mg10  1  1.000536  0.250423  0.519501  1
  Mg  Mg11  1  1.000536  0.750423  0.593888  1
  Mg  Mg12  1  0.500536  0.250423  0.575197  1
  Mg  Mg13  1  0.500536  0.750423  0.649394  1
  Mg  Mg14  1  1.000536  0.250423  0.630794  1
  Mg  Mg15  1  1.000536  0.750423  0.704372  1
  Mg  Mg16  1  0.500536  0.250423  0.685866  1
