# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08381534
_cell_length_b   13.93005401
_cell_length_c   50.29576756
_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   'Mg45 Al15'
_cell_volume   2861.21397026
_cell_formula_units_Z   15
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  1.026590  0.109097  0.284982  1
  Mg  Mg2  1  1.026590  0.733830  0.341733  1
  Mg  Mg3  1  1.026590  0.431066  0.309648  1
  Mg  Mg4  1  0.526590  0.268735  0.298223  1
  Mg  Mg5  1  0.526590  0.880753  0.356396  1
  Mg  Mg6  1  0.526590  0.582582  0.327138  1
  Mg  Mg7  1  0.526590  0.076648  0.327595  1
  Mg  Mg8  1  0.526590  0.791827  0.298955  1
  Mg  Mg9  1  0.526590  0.379349  0.351889  1
  Mg  Mg10  1  1.026590  0.032290  0.369533  1
  Mg  Mg11  1  1.026590  0.629166  0.423429  1
  Mg  Mg12  1  1.026590  0.330596  0.394373  1
  Mg  Mg13  1  0.526590  0.181734  0.381560  1
  Mg  Mg14  1  0.526590  0.780496  0.438136  1
  Mg  Mg15  1  0.526590  0.479140  0.408672  1
  Mg  Mg16  1  0.526590  0.983077  0.411021  1
  Mg  Mg17  1  0.526590  0.680067  0.382355  1
  Mg  Mg18  1  0.526590  0.281083  0.437307  1
  Mg  Mg19  1  1.026590  0.931571  0.452498  1
  Mg  Mg20  1  1.026590  0.528710  0.507159  1
  Mg  Mg21  1  1.026590  0.231144  0.479909  1
  Mg  Mg22  1  0.526590  0.081844  0.466444  1
  Mg  Mg23  1  0.526590  0.678510  0.520923  1
  Mg  Mg24  1  0.526590  0.379770  0.493509  1
  Mg  Mg25  1  0.526590  0.880541  0.493968  1
  Mg  Mg26  1  0.526590  0.578503  0.465041  1
  Mg  Mg27  1  0.526590  0.180990  0.522246  1
  Mg  Mg28  1  1.026590  0.829123  0.535366  1
  Mg  Mg29  1  1.026590  0.428970  0.591860  1
  Mg  Mg30  1  1.026590  0.130674  0.564252  1
  Mg  Mg31  1  0.526590  0.980028  0.549933  1
  Mg  Mg32  1  0.526590  0.578455  0.605491  1
  Mg  Mg33  1  0.526590  0.280310  0.578299  1
  Mg  Mg34  1  0.526590  0.776836  0.576588  1
  Mg  Mg35  1  0.526590  0.478943  0.549574  1
  Mg  Mg36  1  0.526590  0.081756  0.605895  1
  Mg  Mg37  1  1.026590  0.726965  0.618151  1
  Mg  Mg38  1  1.026590  0.335322  0.675662  1
  Mg  Mg39  1  1.026590  0.027929  0.646715  1
  Mg  Mg40  1  0.526590  0.879765  0.630619  1
  Mg  Mg41  1  0.526590  0.491543  0.687503  1
  Mg  Mg42  1  0.526590  0.177936  0.662073  1
  Mg  Mg43  1  0.526590  0.682763  0.661089  1
  Mg  Mg44  1  0.526590  0.379479  0.634008  1
  Mg  Mg45  1  0.526590  0.962297  0.688075  1
  Al  Al46  1  1.026590  0.227283  0.338946  1
  Al  Al47  1  1.026590  0.929562  0.317356  1
  Al  Al48  1  1.026590  0.640034  0.291300  1
  Al  Al49  1  1.026590  0.132908  0.424311  1
  Al  Al50  1  1.026590  0.831951  0.397152  1
  Al  Al51  1  1.026590  0.529353  0.366697  1
  Al  Al52  1  1.026590  0.031101  0.508299  1
  Al  Al53  1  1.026590  0.729393  0.479408  1
  Al  Al54  1  1.026590  0.429180  0.450982  1
  Al  Al55  1  1.026590  0.929383  0.591019  1
  Al  Al56  1  1.026590  0.627211  0.562936  1
  Al  Al57  1  1.026590  0.330026  0.535903  1
  Al  Al58  1  1.026590  0.830513  0.668599  1
  Al  Al59  1  1.026590  0.530070  0.645923  1
  Al  Al60  1  1.026590  0.231003  0.620613  1
