# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04593675
_cell_length_b   6.08333680
_cell_length_c   49.44507234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg27 Al9'
_cell_volume   1574.9222171
_cell_formula_units_Z   9
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  0.659968  0.083143  0.288974  1
  Mg  Mg2  1  0.560398  0.538759  0.291218  1
  Mg  Mg3  1  0.490782  0.216980  0.340449  1
  Mg  Mg4  1  0.977219  0.714773  0.338399  1
  Mg  Mg5  1  0.016022  0.246349  0.336824  1
  Mg  Mg6  1  0.825763  0.911902  0.387689  1
  Mg  Mg7  1  0.329532  0.405588  0.389038  1
  Mg  Mg8  1  0.313087  0.895858  0.389962  1
  Mg  Mg9  1  0.172144  0.574157  0.439899  1
  Mg  Mg10  1  0.668916  0.077126  0.439060  1
  Mg  Mg11  1  0.677506  0.582435  0.438575  1
  Mg  Mg12  1  0.508022  0.251464  0.489319  1
  Mg  Mg13  1  0.008561  0.749950  0.489698  1
  Mg  Mg14  1  0.005917  0.248738  0.489780  1
  Mg  Mg15  1  0.847756  0.924610  0.539732  1
  Mg  Mg16  1  0.349340  0.424101  0.539736  1
  Mg  Mg17  1  0.347512  0.922239  0.540012  1
  Mg  Mg18  1  0.191302  0.591960  0.590934  1
  Mg  Mg19  1  0.686699  0.094348  0.590562  1
  Mg  Mg20  1  0.694045  0.599246  0.589705  1
  Mg  Mg21  1  0.516558  0.275003  0.639383  1
  Mg  Mg22  1  0.026817  0.772519  0.640404  1
  Mg  Mg23  1  0.015706  0.259094  0.641340  1
  Mg  Mg24  1  0.868815  0.925473  0.693728  1
  Mg  Mg25  1  0.354936  0.440678  0.692696  1
  Mg  Mg26  1  0.382139  0.950397  0.689379  1
  Mg  Mg27  1  0.065038  0.616253  0.735961  1
  Al  Al28  1  0.121597  0.006752  0.292362  1
  Al  Al29  1  0.500928  0.747942  0.340050  1
  Al  Al30  1  0.826093  0.400130  0.388932  1
  Al  Al31  1  0.170058  0.079168  0.439443  1
  Al  Al32  1  0.508917  0.750168  0.489419  1
  Al  Al33  1  0.848889  0.423010  0.540148  1
  Al  Al34  1  0.187588  0.095314  0.589552  1
  Al  Al35  1  0.524086  0.766467  0.641717  1
  Al  Al36  1  0.859041  0.435487  0.685462  1
