# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02991331
_cell_length_b   5.02991331
_cell_length_c   47.06450126
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg20
_cell_volume   1031.20519534
_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  0.167797  0.084087  0.318618  1
  Mg  Mg2  1  0.501130  0.750753  0.297776  1
  Mg  Mg3  1  0.501130  0.750753  0.361422  1
  Mg  Mg4  1  0.834464  0.417420  0.337376  1
  Mg  Mg5  1  0.834464  0.417420  0.403493  1
  Mg  Mg6  1  0.167797  0.084087  0.382297  1
  Mg  Mg7  1  0.167797  0.084087  0.447719  1
  Mg  Mg8  1  0.501130  0.750753  0.426511  1
  Mg  Mg9  1  0.501130  0.750753  0.491851  1
  Mg  Mg10  1  0.834464  0.417420  0.469559  1
  Mg  Mg11  1  0.834464  0.417420  0.535458  1
  Mg  Mg12  1  0.167797  0.084087  0.513165  1
  Mg  Mg13  1  0.167797  0.084087  0.578506  1
  Mg  Mg14  1  0.501130  0.750753  0.557298  1
  Mg  Mg15  1  0.501130  0.750753  0.622720  1
  Mg  Mg16  1  0.834464  0.417420  0.601524  1
  Mg  Mg17  1  0.834464  0.417420  0.667640  1
  Mg  Mg18  1  0.167797  0.084087  0.643595  1
  Mg  Mg19  1  0.167797  0.084087  0.707241  1
  Mg  Mg20  1  0.501130  0.750753  0.686398  1
