# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18528024
_cell_length_b   8.04129038
_cell_length_c   53.77572223
_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   Mg28
_cell_volume   1377.39862091
_cell_formula_units_Z   28
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  1.064269  0.635412  0.244451  1
  Mg  Mg2  1  1.064269  0.270727  0.224153  1
  Mg  Mg3  1  0.564269  0.347863  0.273189  1
  Mg  Mg4  1  0.564269  0.978807  0.250231  1
  Mg  Mg5  1  1.064269  0.427330  0.323020  1
  Mg  Mg6  1  1.064269  0.057847  0.300481  1
  Mg  Mg7  1  0.564269  0.137523  0.350785  1
  Mg  Mg8  1  0.564269  0.716010  0.294620  1
  Mg  Mg9  1  1.064269  0.216748  0.401066  1
  Mg  Mg10  1  1.064269  0.795396  0.344956  1
  Mg  Mg11  1  0.564269  0.874583  0.395241  1
  Mg  Mg12  1  0.564269  0.506264  0.373136  1
  Mg  Mg13  1  1.064269  0.953701  0.445508  1
  Mg  Mg14  1  1.064269  0.585285  0.423318  1
  Mg  Mg15  1  0.564269  0.664308  0.473519  1
  Mg  Mg16  1  0.564269  0.295892  0.451330  1
  Mg  Mg17  1  1.064269  0.743329  0.523701  1
  Mg  Mg18  1  1.064269  0.375010  0.501597  1
  Mg  Mg19  1  0.564269  0.454197  0.551882  1
  Mg  Mg20  1  0.564269  0.032845  0.495772  1
  Mg  Mg21  1  1.064269  0.533583  0.602218  1
  Mg  Mg22  1  1.064269  0.112070  0.546053  1
  Mg  Mg23  1  0.564269  0.191745  0.596357  1
  Mg  Mg24  1  0.564269  0.822263  0.573818  1
  Mg  Mg25  1  1.064269  0.270786  0.646607  1
  Mg  Mg26  1  1.064269  0.901730  0.623649  1
  Mg  Mg27  1  0.564269  0.978866  0.672685  1
  Mg  Mg28  1  0.564269  0.614181  0.652387  1
