# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16326679
_cell_length_b   3.16326679
_cell_length_c   62.97274328
_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   Mg12
_cell_volume   630.121440754
_cell_formula_units_Z   12
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  0.563033  0.563033  0.234902  1
  Mg  Mg2  1  1.063033  1.063033  0.200146  1
  Mg  Mg3  1  0.563033  0.563033  0.306278  1
  Mg  Mg4  1  0.063033  1.063033  0.270432  1
  Mg  Mg5  1  0.563033  0.563033  0.378020  1
  Mg  Mg6  1  1.063033  0.063033  0.342151  1
  Mg  Mg7  1  0.563033  0.563033  0.449757  1
  Mg  Mg8  1  0.063033  1.063033  0.413888  1
  Mg  Mg9  1  0.563033  0.563033  0.521477  1
  Mg  Mg10  1  0.063033  1.063033  0.485630  1
  Mg  Mg11  1  0.563033  0.563033  0.591763  1
  Mg  Mg12  1  0.063033  1.063033  0.557006  1
