# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07727537
_cell_length_b   6.22168193
_cell_length_c   50.12715849
_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   'Mg21 Al7'
_cell_volume   1271.60121792
_cell_formula_units_Z   7
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  1.027434  0.113816  0.280390  1
  Mg  Mg2  1  0.527434  0.360266  0.313329  1
  Mg  Mg3  1  0.527434  0.867367  0.313329  1
  Mg  Mg4  1  1.027434  0.613816  0.344936  1
  Mg  Mg5  1  0.527434  0.864638  0.375397  1
  Mg  Mg6  1  0.527434  0.362994  0.375397  1
  Mg  Mg7  1  1.027434  0.113816  0.406609  1
  Mg  Mg8  1  0.527434  0.363553  0.438187  1
  Mg  Mg9  1  0.527434  0.864080  0.438187  1
  Mg  Mg10  1  1.027434  0.613816  0.469644  1
  Mg  Mg11  1  0.527434  0.863916  0.500996  1
  Mg  Mg12  1  0.527434  0.363717  0.500996  1
  Mg  Mg13  1  1.027434  0.113816  0.532402  1
  Mg  Mg14  1  0.527434  0.363720  0.563813  1
  Mg  Mg15  1  0.527434  0.863912  0.563813  1
  Mg  Mg16  1  1.027434  0.613816  0.595060  1
  Mg  Mg17  1  0.527434  0.864072  0.626402  1
  Mg  Mg18  1  0.527434  0.363560  0.626402  1
  Mg  Mg19  1  1.027434  0.113816  0.657300  1
  Mg  Mg20  1  0.527434  0.371176  0.688531  1
  Mg  Mg21  1  0.527434  0.856456  0.688531  1
  Al  Al22  1  1.027434  0.613816  0.286851  1
  Al  Al23  1  1.027434  0.113816  0.343358  1
  Al  Al24  1  1.027434  0.613816  0.407099  1
  Al  Al25  1  1.027434  0.113816  0.469538  1
  Al  Al26  1  1.027434  0.613816  0.532358  1
  Al  Al27  1  1.027434  0.113816  0.595253  1
  Al  Al28  1  1.027434  0.613816  0.656169  1
