# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31365571
_cell_length_b   13.68376338
_cell_length_c   49.69825868
_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   2933.54130516
_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  1.004646  0.134481  0.296163  1
  Mg  Mg2  1  1.004646  0.748498  0.353750  1
  Mg  Mg3  1  1.004646  0.444918  0.323521  1
  Mg  Mg4  1  0.504646  0.296663  0.309134  1
  Mg  Mg5  1  0.504646  0.894455  0.366948  1
  Mg  Mg6  1  0.504646  0.596432  0.340063  1
  Mg  Mg7  1  0.504646  0.094449  0.338707  1
  Mg  Mg8  1  0.504646  0.803499  0.309930  1
  Mg  Mg9  1  0.504646  0.396423  0.365679  1
  Mg  Mg10  1  1.004646  0.046164  0.380613  1
  Mg  Mg11  1  1.004646  0.645140  0.435595  1
  Mg  Mg12  1  1.004646  0.345418  0.407422  1
  Mg  Mg13  1  0.504646  0.195463  0.393540  1
  Mg  Mg14  1  0.504646  0.795230  0.449879  1
  Mg  Mg15  1  0.504646  0.495257  0.421526  1
  Mg  Mg16  1  0.504646  0.995788  0.421821  1
  Mg  Mg17  1  0.504646  0.696110  0.393897  1
  Mg  Mg18  1  0.504646  0.295397  0.449507  1
  Mg  Mg19  1  1.004646  0.945776  0.463864  1
  Mg  Mg20  1  1.004646  0.544311  0.519374  1
  Mg  Mg21  1  1.004646  0.245337  0.491609  1
  Mg  Mg22  1  0.504646  0.095594  0.477669  1
  Mg  Mg23  1  0.504646  0.694350  0.533270  1
  Mg  Mg24  1  0.504646  0.394824  0.505543  1
  Mg  Mg25  1  0.504646  0.895135  0.505566  1
  Mg  Mg26  1  0.504646  0.594673  0.477486  1
  Mg  Mg27  1  0.504646  0.195193  0.533602  1
  Mg  Mg28  1  1.004646  0.844572  0.547284  1
  Mg  Mg29  1  1.004646  0.444050  0.603222  1
  Mg  Mg30  1  1.004646  0.145123  0.575566  1
  Mg  Mg31  1  0.504646  0.995036  0.561279  1
  Mg  Mg32  1  0.504646  0.594756  0.617301  1
  Mg  Mg33  1  0.504646  0.294489  0.589692  1
  Mg  Mg34  1  0.504646  0.793577  0.588951  1
  Mg  Mg35  1  0.504646  0.494405  0.561541  1
  Mg  Mg36  1  0.504646  0.094060  0.617362  1
  Mg  Mg37  1  1.004646  0.742196  0.629740  1
  Mg  Mg38  1  1.004646  0.344563  0.687662  1
  Mg  Mg39  1  1.004646  0.043123  0.658727  1
  Mg  Mg40  1  0.504646  0.893527  0.642873  1
  Mg  Mg41  1  0.504646  0.501889  0.700669  1
  Mg  Mg42  1  0.504646  0.190836  0.674396  1
  Mg  Mg43  1  0.504646  0.695568  0.672802  1
  Mg  Mg44  1  0.504646  0.393879  0.644928  1
  Mg  Mg45  1  0.504646  0.981600  0.700707  1
  Al  Al46  1  1.004646  0.245537  0.352170  1
  Al  Al47  1  1.004646  0.946064  0.327783  1
  Al  Al48  1  1.004646  0.645314  0.303528  1
  Al  Al49  1  1.004646  0.145939  0.435823  1
  Al  Al50  1  1.004646  0.845849  0.408621  1
  Al  Al51  1  1.004646  0.545424  0.380306  1
  Al  Al52  1  1.004646  0.045348  0.519529  1
  Al  Al53  1  1.004646  0.744799  0.491557  1
  Al  Al54  1  1.004646  0.444952  0.463540  1
  Al  Al55  1  1.004646  0.944851  0.602556  1
  Al  Al56  1  1.004646  0.643788  0.574933  1
  Al  Al57  1  1.004646  0.344619  0.547516  1
  Al  Al58  1  1.004646  0.842562  0.681564  1
  Al  Al59  1  1.004646  0.543204  0.657489  1
  Al  Al60  1  1.004646  0.243629  0.631574  1
