# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31712063
_cell_length_b   9.68416507
_cell_length_c   50.75659774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg36 Al12'
_cell_volume   2122.01705896
_cell_formula_units_Z   12
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  1.004241  0.381543  0.336068  1
  Mg  Mg2  1  1.004241  0.979958  0.295731  1
  Mg  Mg3  1  0.504241  0.778384  0.276476  1
  Mg  Mg4  1  0.504241  0.176596  0.317061  1
  Mg  Mg5  1  0.504241  0.481030  0.295929  1
  Mg  Mg6  1  0.504241  0.879809  0.334640  1
  Mg  Mg7  1  1.004241  0.178832  0.411604  1
  Mg  Mg8  1  1.004241  0.778804  0.373027  1
  Mg  Mg9  1  0.504241  0.578323  0.353504  1
  Mg  Mg10  1  0.504241  0.978629  0.392273  1
  Mg  Mg11  1  0.504241  0.279753  0.373061  1
  Mg  Mg12  1  0.504241  0.678546  0.411464  1
  Mg  Mg13  1  1.004241  0.977996  0.488909  1
  Mg  Mg14  1  1.004241  0.578589  0.450359  1
  Mg  Mg15  1  0.504241  0.378484  0.431018  1
  Mg  Mg16  1  0.504241  0.778174  0.469554  1
  Mg  Mg17  1  0.504241  0.078309  0.450273  1
  Mg  Mg18  1  0.504241  0.477900  0.488891  1
  Mg  Mg19  1  1.004241  0.777251  0.566071  1
  Mg  Mg20  1  1.004241  0.377356  0.527466  1
  Mg  Mg21  1  0.504241  0.177725  0.508228  1
  Mg  Mg22  1  0.504241  0.577255  0.546727  1
  Mg  Mg23  1  0.504241  0.877620  0.527489  1
  Mg  Mg24  1  0.504241  0.277219  0.566254  1
  Mg  Mg25  1  1.004241  0.574670  0.642271  1
  Mg  Mg26  1  1.004241  0.177211  0.605011  1
  Mg  Mg27  1  0.504241  0.977557  0.585443  1
  Mg  Mg28  1  0.504241  0.376080  0.624354  1
  Mg  Mg29  1  0.504241  0.676135  0.604493  1
  Mg  Mg30  1  0.504241  0.076118  0.643631  1
  Mg  Mg31  1  1.004241  0.394277  0.721373  1
  Mg  Mg32  1  1.004241  0.976293  0.682199  1
  Mg  Mg33  1  0.504241  0.777576  0.660923  1
  Mg  Mg34  1  0.504241  0.174415  0.702712  1
  Mg  Mg35  1  0.504241  0.476788  0.681199  1
  Mg  Mg36  1  0.504241  0.854673  0.720416  1
  Al  Al37  1  1.004241  0.680272  0.316559  1
  Al  Al38  1  1.004241  0.276132  0.283097  1
  Al  Al39  1  1.004241  0.479429  0.392728  1
  Al  Al40  1  1.004241  0.078198  0.354402  1
  Al  Al41  1  1.004241  0.278027  0.469603  1
  Al  Al42  1  1.004241  0.878457  0.430989  1
  Al  Al43  1  1.004241  0.077546  0.546845  1
  Al  Al44  1  1.004241  0.677825  0.508177  1
  Al  Al45  1  1.004241  0.877887  0.623653  1
  Al  Al46  1  1.004241  0.476297  0.585246  1
  Al  Al47  1  1.004241  0.676245  0.696703  1
  Al  Al48  1  1.004241  0.274436  0.662892  1
