# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13454106
_cell_length_b   6.13454106
_cell_length_c   45.19121674
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg24 Al8'
_cell_volume   1472.81711118
_cell_formula_units_Z   8
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  0.167569  0.168542  0.305353  1
  Mg  Mg2  1  0.667622  0.668489  0.305353  1
  Mg  Mg3  1  0.167569  0.668489  0.305353  1
  Mg  Mg4  1  0.835945  0.831791  0.361651  1
  Mg  Mg5  1  0.330871  0.336865  0.361651  1
  Mg  Mg6  1  0.835945  0.336865  0.361651  1
  Mg  Mg7  1  0.501092  0.501496  0.416817  1
  Mg  Mg8  1  1.000576  0.002013  0.416817  1
  Mg  Mg9  1  0.501092  0.002013  0.416817  1
  Mg  Mg10  1  0.167709  0.168262  0.472709  1
  Mg  Mg11  1  0.667342  0.668629  0.472709  1
  Mg  Mg12  1  0.167709  0.668629  0.472709  1
  Mg  Mg13  1  0.834131  0.835418  0.528490  1
  Mg  Mg14  1  0.334498  0.335051  0.528490  1
  Mg  Mg15  1  0.834131  0.335051  0.528490  1
  Mg  Mg16  1  0.500748  0.502185  0.584382  1
  Mg  Mg17  1  0.001265  1.001668  0.584382  1
  Mg  Mg18  1  0.500748  1.001668  0.584382  1
  Mg  Mg19  1  0.165896  0.171889  0.639548  1
  Mg  Mg20  1  0.670969  0.666816  0.639548  1
  Mg  Mg21  1  0.165896  0.666816  0.639548  1
  Mg  Mg22  1  0.834271  0.835138  0.695846  1
  Mg  Mg23  1  0.334218  0.335191  0.695846  1
  Mg  Mg24  1  0.834271  0.335191  0.695846  1
  Al  Al25  1  0.667587  0.168507  0.309481  1
  Al  Al26  1  0.334253  0.835174  0.361558  1
  Al  Al27  1  0.000920  0.501840  0.417249  1
  Al  Al28  1  0.667587  0.168507  0.472701  1
  Al  Al29  1  0.334253  0.835174  0.528498  1
  Al  Al30  1  0.000920  0.501840  0.583950  1
  Al  Al31  1  0.667587  0.168507  0.639641  1
  Al  Al32  1  0.334253  0.835174  0.691718  1
