# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14721160
_cell_length_b   13.25471924
_cell_length_c   47.67099283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg63 Al21'
_cell_volume   3785.86126724
_cell_formula_units_Z   21
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  0.676073  0.738842  0.336703  1
  Mg  Mg2  1  0.360089  0.108353  0.291103  1
  Mg  Mg3  1  0.518707  0.428799  0.311390  1
  Mg  Mg4  1  0.506277  0.916546  0.313104  1
  Mg  Mg5  1  0.675504  0.241449  0.332637  1
  Mg  Mg6  1  0.364454  0.624437  0.293065  1
  Mg  Mg7  1  0.024131  0.918681  0.313821  1
  Mg  Mg8  1  0.173643  0.240317  0.332690  1
  Mg  Mg9  1  0.874177  0.620388  0.293120  1
  Mg  Mg10  1  0.135181  0.683232  0.397342  1
  Mg  Mg11  1  0.825081  0.051767  0.354758  1
  Mg  Mg12  1  0.983772  0.366885  0.375648  1
  Mg  Mg13  1  0.985450  0.871386  0.376742  1
  Mg  Mg14  1  0.136070  0.181304  0.395738  1
  Mg  Mg15  1  0.826544  0.552412  0.355211  1
  Mg  Mg16  1  0.482237  0.870203  0.376375  1
  Mg  Mg17  1  0.636408  0.182944  0.395891  1
  Mg  Mg18  1  0.332070  0.554038  0.355311  1
  Mg  Mg19  1  0.597794  0.625440  0.459252  1
  Mg  Mg20  1  0.293048  0.999190  0.417788  1
  Mg  Mg21  1  0.440230  0.309911  0.438097  1
  Mg  Mg22  1  0.445015  0.813572  0.439298  1
  Mg  Mg23  1  0.596825  0.126194  0.459848  1
  Mg  Mg24  1  0.289117  0.496099  0.417484  1
  Mg  Mg25  1  0.945980  0.814715  0.439548  1
  Mg  Mg26  1  0.096117  0.124661  0.459631  1
  Mg  Mg27  1  0.787910  0.494833  0.417328  1
  Mg  Mg28  1  0.053524  0.565382  0.522612  1
  Mg  Mg29  1  0.750056  0.941779  0.482214  1
  Mg  Mg30  1  0.906510  0.255038  0.501083  1
  Mg  Mg31  1  0.902879  0.752762  0.501657  1
  Mg  Mg32  1  0.063180  0.073784  0.523774  1
  Mg  Mg33  1  0.747998  0.438761  0.480225  1
  Mg  Mg34  1  0.402006  0.750871  0.501371  1
  Mg  Mg35  1  0.562004  0.075934  0.524056  1
  Mg  Mg36  1  0.249837  0.440377  0.480428  1
  Mg  Mg37  1  0.531138  0.510713  0.583867  1
  Mg  Mg38  1  0.218155  0.883974  0.542532  1
  Mg  Mg39  1  0.366688  0.200041  0.568330  1
  Mg  Mg40  1  0.367826  0.695666  0.564043  1
  Mg  Mg41  1  0.525719  1.010624  0.585983  1
  Mg  Mg42  1  0.210907  0.379404  0.543968  1
  Mg  Mg43  1  0.869765  0.699014  0.564261  1
  Mg  Mg44  1  0.022989  1.005680  0.585261  1
  Mg  Mg45  1  0.709483  0.376564  0.543475  1
  Mg  Mg46  1  0.986791  0.453684  0.657476  1
  Mg  Mg47  1  0.673209  0.819910  0.606788  1
  Mg  Mg48  1  0.859717  0.143634  0.626528  1
  Mg  Mg49  1  0.837463  0.629141  0.627717  1
  Mg  Mg50  1  0.008145  0.955770  0.647373  1
  Mg  Mg51  1  0.693049  0.334488  0.609603  1
  Mg  Mg52  1  0.332334  0.623141  0.627166  1
  Mg  Mg53  1  0.507972  0.962943  0.647745  1
  Mg  Mg54  1  0.190735  0.339991  0.610492  1
  Mg  Mg55  1  0.548792  0.408689  0.708966  1
  Mg  Mg56  1  0.177652  0.772566  0.663235  1
  Mg  Mg57  1  0.308507  0.070241  0.693463  1
  Mg  Mg58  1  0.344183  0.601770  0.692818  1
  Mg  Mg59  1  0.475764  0.875398  0.709262  1
  Mg  Mg60  1  0.164296  0.263633  0.672836  1
  Mg  Mg61  1  0.839714  0.618684  0.694003  1
  Mg  Mg62  1  0.963193  0.870512  0.708843  1
  Mg  Mg63  1  0.652228  0.249885  0.669934  1
  Al  Al64  1  0.715006  0.799839  0.277482  1
  Al  Al65  1  0.852809  0.095619  0.296695  1
  Al  Al66  1  0.023885  0.433185  0.316061  1
  Al  Al67  1  0.171724  0.736856  0.336237  1
  Al  Al68  1  0.330148  0.055745  0.353434  1
  Al  Al69  1  0.481926  0.367299  0.374415  1
  Al  Al70  1  0.637713  0.684203  0.397770  1
  Al  Al71  1  0.790000  0.998317  0.418399  1
  Al  Al72  1  0.942553  0.309818  0.438392  1
  Al  Al73  1  0.095134  0.624986  0.459383  1
  Al  Al74  1  0.253045  0.942260  0.481403  1
  Al  Al75  1  0.402794  0.254801  0.501494  1
  Al  Al76  1  0.557313  0.565843  0.522361  1
  Al  Al77  1  0.712485  0.883491  0.543420  1
  Al  Al78  1  0.872682  0.200291  0.566470  1
  Al  Al79  1  0.024180  0.510699  0.584185  1
  Al  Al80  1  0.181248  0.821253  0.605218  1
  Al  Al81  1  0.343737  0.143231  0.628737  1
  Al  Al82  1  0.503021  0.455880  0.651834  1
  Al  Al83  1  0.664042  0.771968  0.664407  1
  Al  Al84  1  0.814950  0.065974  0.687930  1
