# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16680704
_cell_length_b   13.36568344
_cell_length_c   47.17685956
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.16174611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg40
_cell_volume   1982.62824841
_cell_formula_units_Z   40
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  0.332218  0.214998  0.281683  1
  Mg  Mg2  1  0.020632  0.837459  0.323348  1
  Mg  Mg3  1  0.618464  0.641904  0.304451  1
  Mg  Mg4  1  0.215996  0.447415  0.285806  1
  Mg  Mg5  1  0.899968  0.079649  0.325476  1
  Mg  Mg6  1  0.585040  0.708962  0.367508  1
  Mg  Mg7  1  0.182889  0.513375  0.348607  1
  Mg  Mg8  1  0.780738  0.318010  0.330043  1
  Mg  Mg9  1  0.465043  0.949118  0.371061  1
  Mg  Mg10  1  0.149811  0.579615  0.413002  1
  Mg  Mg11  1  0.748036  0.383319  0.394092  1
  Mg  Mg12  1  0.346405  0.186886  0.374609  1
  Mg  Mg13  1  0.030005  0.819355  0.416549  1
  Mg  Mg14  1  0.714518  0.450307  0.458719  1
  Mg  Mg15  1  0.312802  0.253880  0.439566  1
  Mg  Mg16  1  0.910727  0.058170  0.420507  1
  Mg  Mg17  1  0.594886  0.689734  0.462352  1
  Mg  Mg18  1  0.279349  0.320759  0.504336  1
  Mg  Mg19  1  0.877542  0.124516  0.485351  1
  Mg  Mg20  1  0.475601  0.928541  0.466246  1
  Mg  Mg21  1  0.159647  0.560321  0.508167  1
  Mg  Mg22  1  0.844160  0.191253  0.550082  1
  Mg  Mg23  1  0.442408  0.994909  0.531080  1
  Mg  Mg24  1  0.040468  0.798931  0.512016  1
  Mg  Mg25  1  0.724464  0.430802  0.553826  1
  Mg  Mg26  1  0.409123  0.061446  0.595729  1
  Mg  Mg27  1  0.007343  0.865163  0.576794  1
  Mg  Mg28  1  0.605220  0.669547  0.557903  1
  Mg  Mg29  1  0.289174  0.301500  0.599438  1
  Mg  Mg30  1  0.973873  0.931899  0.641104  1
  Mg  Mg31  1  0.571795  0.736355  0.622902  1
  Mg  Mg32  1  0.169949  0.540202  0.603564  1
  Mg  Mg33  1  0.854041  0.171926  0.644487  1
  Mg  Mg34  1  0.538749  0.802032  0.686866  1
  Mg  Mg35  1  0.137017  0.606043  0.668019  1
  Mg  Mg36  1  0.735040  0.410199  0.649016  1
  Mg  Mg37  1  0.418377  0.043015  0.688530  1
  Mg  Mg38  1  0.106580  0.666701  0.730596  1
  Mg  Mg39  1  0.702481  0.475533  0.711892  1
  Mg  Mg40  1  0.300356  0.279937  0.693061  1
