# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32713492
_cell_length_b   4.32713492
_cell_length_c   48.02775875
_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   'Mg15 Al5'
_cell_volume   899.276394556
_cell_formula_units_Z   5
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  0.503074  1.003074  0.339679  1
  Mg  Mg2  1  1.003074  0.503074  0.339679  1
  Mg  Mg3  1  0.503074  0.503074  0.292358  1
  Mg  Mg4  1  0.503074  1.003074  0.429743  1
  Mg  Mg5  1  1.003074  0.503074  0.429743  1
  Mg  Mg6  1  0.503074  0.503074  0.383757  1
  Mg  Mg7  1  0.503074  1.003074  0.521008  1
  Mg  Mg8  1  1.003074  0.503074  0.521008  1
  Mg  Mg9  1  0.503074  0.503074  0.475383  1
  Mg  Mg10  1  0.503074  1.003074  0.612202  1
  Mg  Mg11  1  1.003074  0.503074  0.612202  1
  Mg  Mg12  1  0.503074  0.503074  0.566622  1
  Mg  Mg13  1  0.503074  1.003074  0.704087  1
  Mg  Mg14  1  1.003074  0.503074  0.704087  1
  Mg  Mg15  1  0.503074  0.503074  0.657403  1
  Al  Al16  1  1.003074  1.003074  0.298291  1
  Al  Al17  1  1.003074  0.003074  0.384687  1
  Al  Al18  1  1.003074  1.003074  0.475407  1
  Al  Al19  1  1.003074  0.003074  0.566595  1
  Al  Al20  1  1.003074  1.003074  0.657614  1
