# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49676771
_cell_length_b   6.08441922
_cell_length_c   47.31584344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.01906642
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg28
_cell_volume   1409.74420109
_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  0.043287  0.946193  0.298174  1
  Mg  Mg2  1  0.174618  0.500399  0.284443  1
  Mg  Mg3  1  0.513588  0.864037  0.331006  1
  Mg  Mg4  1  0.623279  0.394099  0.314416  1
  Mg  Mg5  1  0.969295  0.774678  0.362193  1
  Mg  Mg6  1  0.086080  0.320845  0.347363  1
  Mg  Mg7  1  0.429623  0.690150  0.395086  1
  Mg  Mg8  1  0.538294  0.232558  0.378865  1
  Mg  Mg9  1  0.886634  0.602376  0.427251  1
  Mg  Mg10  1  0.994381  0.144991  0.411305  1
  Mg  Mg11  1  0.343542  0.515690  0.459770  1
  Mg  Mg12  1  0.450713  0.059142  0.443645  1
  Mg  Mg13  1  0.800417  0.428880  0.492132  1
  Mg  Mg14  1  0.907093  0.971910  0.476027  1
  Mg  Mg15  1  0.257101  0.342327  0.524533  1
  Mg  Mg16  1  0.363776  0.885357  0.508428  1
  Mg  Mg17  1  0.713480  0.255096  0.556915  1
  Mg  Mg18  1  0.820651  0.798547  0.540790  1
  Mg  Mg19  1  0.169813  0.169246  0.589255  1
  Mg  Mg20  1  0.277560  0.711861  0.573309  1
  Mg  Mg21  1  0.625900  0.081680  0.621695  1
  Mg  Mg22  1  0.734570  0.624088  0.605474  1
  Mg  Mg23  1  0.078113  0.993393  0.653197  1
  Mg  Mg24  1  0.194898  0.539560  0.638367  1
  Mg  Mg25  1  0.540914  0.920139  0.686144  1
  Mg  Mg26  1  0.650605  0.450200  0.669554  1
  Mg  Mg27  1  0.989576  0.813839  0.716117  1
  Mg  Mg28  1  0.120906  0.368045  0.702386  1
