# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17424764
_cell_length_b   3.17424764
_cell_length_c   46.46826522
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg8
_cell_volume   405.479313849
_cell_formula_units_Z   8
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  0.334118  0.334903  0.362570  1
  Mg  Mg2  1  0.667452  0.668237  0.308267  1
  Mg  Mg3  1  0.334118  0.334903  0.474131  1
  Mg  Mg4  1  0.667452  0.668237  0.418281  1
  Mg  Mg5  1  0.334118  0.334903  0.585842  1
  Mg  Mg6  1  0.667452  0.668237  0.529991  1
  Mg  Mg7  1  0.334118  0.334903  0.695855  1
  Mg  Mg8  1  0.667452  0.668237  0.641553  1
