# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16817969
_cell_length_b   5.17977561
_cell_length_c   48.93266043
_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   803.007461427
_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  1.062061  0.486180  0.248447  1
  Mg  Mg2  1  0.562061  0.486180  0.303737  1
  Mg  Mg3  1  1.062061  0.986180  0.284493  1
  Mg  Mg4  1  0.562061  0.986180  0.340544  1
  Mg  Mg5  1  1.062061  0.486180  0.359818  1
  Mg  Mg6  1  0.562061  0.486180  0.416238  1
  Mg  Mg7  1  1.062061  0.986180  0.397107  1
  Mg  Mg8  1  0.562061  0.986180  0.453641  1
  Mg  Mg9  1  1.062061  0.486180  0.472724  1
  Mg  Mg10  1  0.562061  0.486180  0.529258  1
  Mg  Mg11  1  1.062061  0.986180  0.510127  1
  Mg  Mg12  1  0.562061  0.986180  0.566546  1
  Mg  Mg13  1  1.062061  0.486180  0.585821  1
  Mg  Mg14  1  0.562061  0.486180  0.641872  1
  Mg  Mg15  1  1.062061  0.986180  0.622628  1
  Mg  Mg16  1  0.562061  0.986180  0.677918  1
