# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03106780
_cell_length_b   5.03106780
_cell_length_c   47.13570661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg20
_cell_volume   1033.23948303
_cell_formula_units_Z   20
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  0.500826  0.750551  0.296276  1
  Mg  Mg2  1  0.167493  0.083884  0.317681  1
  Mg  Mg3  1  0.834159  0.417217  0.336927  1
  Mg  Mg4  1  0.500826  0.750551  0.360628  1
  Mg  Mg5  1  0.167493  0.083884  0.381752  1
  Mg  Mg6  1  0.834159  0.417217  0.402929  1
  Mg  Mg7  1  0.500826  0.750551  0.425678  1
  Mg  Mg8  1  0.167493  0.083884  0.447048  1
  Mg  Mg9  1  0.834159  0.417217  0.468795  1
  Mg  Mg10  1  0.500826  0.750551  0.490935  1
  Mg  Mg11  1  0.167493  0.083884  0.512387  1
  Mg  Mg12  1  0.834159  0.417217  0.534528  1
  Mg  Mg13  1  0.500826  0.750551  0.556274  1
  Mg  Mg14  1  0.167493  0.083884  0.577644  1
  Mg  Mg15  1  0.834159  0.417217  0.600393  1
  Mg  Mg16  1  0.500826  0.750551  0.621570  1
  Mg  Mg17  1  0.167493  0.083884  0.642694  1
  Mg  Mg18  1  0.834159  0.417217  0.666395  1
  Mg  Mg19  1  0.500826  0.750551  0.685641  1
  Mg  Mg20  1  0.167493  0.083884  0.707047  1
