# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07728146
_cell_length_b   9.87472221
_cell_length_c   51.47426791
_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   2072.45809558
_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  1.027434  0.365576  0.322713  1
  Mg  Mg2  1  1.027434  0.961421  0.281981  1
  Mg  Mg3  1  0.527434  0.747020  0.264923  1
  Mg  Mg4  1  0.527434  0.158986  0.304326  1
  Mg  Mg5  1  0.527434  0.459638  0.283084  1
  Mg  Mg6  1  0.527434  0.861607  0.320897  1
  Mg  Mg7  1  1.027434  0.163787  0.398632  1
  Mg  Mg8  1  1.027434  0.764967  0.359803  1
  Mg  Mg9  1  0.527434  0.563912  0.340897  1
  Mg  Mg10  1  0.527434  0.964140  0.379073  1
  Mg  Mg11  1  0.527434  0.264839  0.360561  1
  Mg  Mg12  1  0.527434  0.665095  0.398630  1
  Mg  Mg13  1  1.027434  0.963373  0.476075  1
  Mg  Mg14  1  1.027434  0.564514  0.437432  1
  Mg  Mg15  1  0.527434  0.364255  0.418177  1
  Mg  Mg16  1  0.527434  0.763920  0.456756  1
  Mg  Mg17  1  0.527434  0.063486  0.437251  1
  Mg  Mg18  1  0.527434  0.463138  0.475955  1
  Mg  Mg19  1  1.027434  0.763047  0.553276  1
  Mg  Mg20  1  1.027434  0.361780  0.514525  1
  Mg  Mg21  1  0.527434  0.162614  0.495318  1
  Mg  Mg22  1  0.527434  0.562120  0.533677  1
  Mg  Mg23  1  0.527434  0.863442  0.514850  1
  Mg  Mg24  1  0.527434  0.260749  0.553419  1
  Mg  Mg25  1  1.027434  0.560365  0.628767  1
  Mg  Mg26  1  1.027434  0.161150  0.592796  1
  Mg  Mg27  1  0.527434  0.962513  0.573226  1
  Mg  Mg28  1  0.527434  0.360342  0.611098  1
  Mg  Mg29  1  0.527434  0.661132  0.591094  1
  Mg  Mg30  1  0.527434  0.064003  0.632073  1
  Mg  Mg31  1  1.027434  0.388617  0.707784  1
  Mg  Mg32  1  1.027434  0.959946  0.670699  1
  Mg  Mg33  1  0.527434  0.763701  0.648014  1
  Mg  Mg34  1  0.527434  0.169644  0.689574  1
  Mg  Mg35  1  0.527434  0.462052  0.667535  1
  Mg  Mg36  1  0.527434  0.818760  0.707031  1
  Al  Al37  1  1.027434  0.661288  0.303486  1
  Al  Al38  1  1.027434  0.257197  0.270659  1
  Al  Al39  1  1.027434  0.465804  0.379820  1
  Al  Al40  1  1.027434  0.062542  0.340480  1
  Al  Al41  1  1.027434  0.263205  0.456597  1
  Al  Al42  1  1.027434  0.864223  0.417962  1
  Al  Al43  1  1.027434  0.062543  0.534312  1
  Al  Al44  1  1.027434  0.663296  0.495370  1
  Al  Al45  1  1.027434  0.863359  0.611588  1
  Al  Al46  1  1.027434  0.459967  0.571953  1
  Al  Al47  1  1.027434  0.656867  0.682257  1
  Al  Al48  1  1.027434  0.264423  0.650879  1
