# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08815109
_cell_length_b   9.50379202
_cell_length_c   45.89166674
_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   2519.0537318
_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  0.972567  0.518519  0.287836  1
  Mg  Mg2  1  0.183295  0.941410  0.317157  1
  Mg  Mg3  1  0.297769  0.670267  0.336111  1
  Mg  Mg4  1  0.075326  0.229221  0.303214  1
  Mg  Mg5  1  0.798044  0.670266  0.336226  1
  Mg  Mg6  1  0.582067  0.228857  0.303202  1
  Mg  Mg7  1  0.404971  0.386724  0.351746  1
  Mg  Mg8  1  0.624292  0.833130  0.383141  1
  Mg  Mg9  1  0.733366  0.554737  0.397845  1
  Mg  Mg10  1  0.511586  0.108123  0.365386  1
  Mg  Mg11  1  0.231650  0.554785  0.397769  1
  Mg  Mg12  1  0.015772  0.108881  0.365507  1
  Mg  Mg13  1  0.839042  0.274607  0.412124  1
  Mg  Mg14  1  0.056917  0.719695  0.444840  1
  Mg  Mg15  1  0.161758  0.437773  0.460065  1
  Mg  Mg16  1  0.949599  0.998592  0.429213  1
  Mg  Mg17  1  0.663611  0.437945  0.460171  1
  Mg  Mg18  1  0.448838  0.998418  0.429176  1
  Mg  Mg19  1  0.271502  0.160720  0.476463  1
  Mg  Mg20  1  0.485480  0.601897  0.507260  1
  Mg  Mg21  1  0.593413  0.323792  0.523354  1
  Mg  Mg22  1  0.380223  0.883257  0.492248  1
  Mg  Mg23  1  0.093296  0.323882  0.523258  1
  Mg  Mg24  1  0.879741  0.883164  0.492274  1
  Mg  Mg25  1  0.703045  0.047246  0.539719  1
  Mg  Mg26  1  0.916639  0.486824  0.570183  1
  Mg  Mg27  1  0.029098  0.213745  0.587167  1
  Mg  Mg28  1  0.808186  0.765164  0.554555  1
  Mg  Mg29  1  0.528410  0.213377  0.587248  1
  Mg  Mg30  1  0.308211  0.765156  0.554516  1
  Mg  Mg31  1  0.133892  0.929814  0.601444  1
  Mg  Mg32  1  0.354848  0.378315  0.635184  1
  Mg  Mg33  1  0.461824  0.094701  0.648573  1
  Mg  Mg34  1  0.238144  0.646668  0.617263  1
  Mg  Mg35  1  0.958645  0.094705  0.648430  1
  Mg  Mg36  1  0.741087  0.646616  0.617235  1
  Mg  Mg37  1  0.570504  0.815975  0.661518  1
  Mg  Mg38  1  0.788075  0.254030  0.696894  1
  Mg  Mg39  1  0.897066  0.961510  0.709485  1
  Mg  Mg40  1  0.688074  0.547551  0.682965  1
  Mg  Mg41  1  0.387228  0.961481  0.709550  1
  Mg  Mg42  1  0.183484  0.547264  0.682889  1
  Al  Al43  1  0.465091  0.503000  0.294166  1
  Al  Al44  1  0.686374  0.946829  0.322239  1
  Al  Al45  1  0.906695  0.390545  0.349371  1
  Al  Al46  1  0.125488  0.835617  0.381674  1
  Al  Al47  1  0.339073  0.274180  0.413505  1
  Al  Al48  1  0.556061  0.718204  0.445216  1
  Al  Al49  1  0.771542  0.160980  0.476039  1
  Al  Al50  1  0.985782  0.602295  0.507304  1
  Al  Al51  1  0.203030  0.047411  0.539687  1
  Al  Al52  1  0.416922  0.487300  0.570175  1
  Al  Al53  1  0.633193  0.928635  0.601187  1
  Al  Al54  1  0.853900  0.376848  0.635891  1
  Al  Al55  1  0.071084  0.817136  0.661657  1
  Al  Al56  1  0.285481  0.248877  0.692672  1
