# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13811880
_cell_length_b   9.65860384
_cell_length_c   46.42698810
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg42 Al14'
_cell_volume   2611.20764109
_cell_formula_units_Z   14
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  0.948566  0.518921  0.289233  1
  Mg  Mg2  1  0.154475  0.930164  0.316405  1
  Mg  Mg3  1  0.267638  0.663098  0.337891  1
  Mg  Mg4  1  0.046746  0.218900  0.303550  1
  Mg  Mg5  1  0.773907  0.663051  0.337884  1
  Mg  Mg6  1  0.550773  0.218781  0.303557  1
  Mg  Mg7  1  0.378252  0.378061  0.352537  1
  Mg  Mg8  1  0.602007  0.825693  0.383195  1
  Mg  Mg9  1  0.712237  0.546584  0.398258  1
  Mg  Mg10  1  0.485953  0.099861  0.365716  1
  Mg  Mg11  1  0.212625  0.546575  0.398262  1
  Mg  Mg12  1  0.992359  0.099833  0.365706  1
  Mg  Mg13  1  0.822565  0.266807  0.412765  1
  Mg  Mg14  1  0.045475  0.712797  0.445167  1
  Mg  Mg15  1  0.155282  0.433485  0.460643  1
  Mg  Mg16  1  0.934571  0.991696  0.429412  1
  Mg  Mg17  1  0.656354  0.433476  0.460639  1
  Mg  Mg18  1  0.435345  0.991674  0.429414  1
  Mg  Mg19  1  0.267276  0.156431  0.476618  1
  Mg  Mg20  1  0.489057  0.600056  0.507797  1
  Mg  Mg21  1  0.600305  0.322550  0.523615  1
  Mg  Mg22  1  0.378461  0.878678  0.492227  1
  Mg  Mg23  1  0.100257  0.322551  0.523617  1
  Mg  Mg24  1  0.878294  0.878681  0.492226  1
  Mg  Mg25  1  0.711547  0.045129  0.539317  1
  Mg  Mg26  1  0.933107  0.488325  0.570635  1
  Mg  Mg27  1  0.045027  0.211522  0.586613  1
  Mg  Mg28  1  0.822251  0.766226  0.554949  1
  Mg  Mg29  1  0.544354  0.211536  0.586610  1
  Mg  Mg30  1  0.321925  0.766231  0.554950  1
  Mg  Mg31  1  0.155562  0.933272  0.601867  1
  Mg  Mg32  1  0.378533  0.379437  0.633363  1
  Mg  Mg33  1  0.490684  0.098751  0.648384  1
  Mg  Mg34  1  0.265151  0.653133  0.617623  1
  Mg  Mg35  1  0.985759  0.098762  0.648394  1
  Mg  Mg36  1  0.765759  0.653155  0.617624  1
  Mg  Mg37  1  0.599539  0.821408  0.663421  1
  Mg  Mg38  1  0.820500  0.263412  0.696390  1
  Mg  Mg39  1  0.928358  0.977292  0.711085  1
  Mg  Mg40  1  0.712881  0.547974  0.681760  1
  Mg  Mg41  1  0.427044  0.977466  0.711087  1
  Mg  Mg42  1  0.212501  0.548024  0.681766  1
  Al  Al43  1  0.439888  0.501425  0.295474  1
  Al  Al44  1  0.657005  0.935237  0.321625  1
  Al  Al45  1  0.879144  0.379877  0.351468  1
  Al  Al46  1  0.102762  0.827207  0.383271  1
  Al  Al47  1  0.322738  0.267179  0.413769  1
  Al  Al48  1  0.545260  0.712341  0.445304  1
  Al  Al49  1  0.767366  0.156606  0.476415  1
  Al  Al50  1  0.989162  0.600273  0.507823  1
  Al  Al51  1  0.211408  0.044854  0.539302  1
  Al  Al52  1  0.433251  0.488613  0.570614  1
  Al  Al53  1  0.655071  0.932277  0.601565  1
  Al  Al54  1  0.877715  0.377775  0.633556  1
  Al  Al55  1  0.099809  0.821841  0.663043  1
  Al  Al56  1  0.318526  0.259481  0.692390  1
