# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29966600
_cell_length_b   6.14906938
_cell_length_c   49.41308352
_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   1306.42977493
_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  1.006288  0.125655  0.293122  1
  Mg  Mg2  1  0.506288  0.370526  0.326490  1
  Mg  Mg3  1  0.506288  0.880783  0.326490  1
  Mg  Mg4  1  1.006288  0.625655  0.358084  1
  Mg  Mg5  1  0.506288  0.874815  0.388358  1
  Mg  Mg6  1  0.506288  0.376494  0.388358  1
  Mg  Mg7  1  1.006288  0.125655  0.419850  1
  Mg  Mg8  1  0.506288  0.375567  0.451208  1
  Mg  Mg9  1  0.506288  0.875742  0.451208  1
  Mg  Mg10  1  1.006288  0.625655  0.482649  1
  Mg  Mg11  1  0.506288  0.875722  0.513958  1
  Mg  Mg12  1  0.506288  0.375587  0.513958  1
  Mg  Mg13  1  1.006288  0.125655  0.545318  1
  Mg  Mg14  1  0.506288  0.375749  0.576701  1
  Mg  Mg15  1  0.506288  0.875560  0.576701  1
  Mg  Mg16  1  1.006288  0.625655  0.607872  1
  Mg  Mg17  1  0.506288  0.875727  0.639100  1
  Mg  Mg18  1  0.506288  0.375582  0.639100  1
  Mg  Mg19  1  1.006288  0.125655  0.670106  1
  Mg  Mg20  1  0.506288  0.376467  0.702291  1
  Mg  Mg21  1  0.506288  0.874843  0.702291  1
  Al  Al22  1  1.006288  0.625655  0.299401  1
  Al  Al23  1  1.006288  0.125655  0.357870  1
  Al  Al24  1  1.006288  0.625655  0.420093  1
  Al  Al25  1  1.006288  0.125655  0.482597  1
  Al  Al26  1  1.006288  0.625655  0.545277  1
  Al  Al27  1  1.006288  0.125655  0.607885  1
  Al  Al28  1  1.006288  0.625655  0.669427  1
