# generated using pymatgen
data_MgAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11578200
_cell_length_b   4.11578200
_cell_length_c   13.38845547
_cell_angle_alpha   98.84177814
_cell_angle_beta   98.84177814
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2
_chemical_formula_sum   'Mg4 Al8'
_cell_volume   221.37286598
_cell_formula_units_Z   4
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  Mg0  1  0.33151400  0.83151400  0.66302800  1.0
  Mg  Mg1  1  0.91848600  0.91848600  0.83697200  1.0
  Mg  Mg2  1  0.16848600  0.66848600  0.33697200  1.0
  Mg  Mg3  1  0.08151400  0.08151400  0.16302800  1.0
  Al  Al4  1  0.50028900  0.00028900  0.00057800  1.0
  Al  Al5  1  0.74971100  0.74971100  0.49942200  1.0
  Al  Al6  1  0.99971100  0.49971100  0.99942200  1.0
  Al  Al7  1  0.25028900  0.25028900  0.50057800  1.0
  Al  Al8  1  0.66954100  0.16954100  0.33908200  1.0
  Al  Al9  1  0.58045900  0.58045900  0.16091800  1.0
  Al  Al10  1  0.83045900  0.33045900  0.66091800  1.0
  Al  Al11  1  0.41954100  0.41954100  0.83908200  1.0