# generated using pymatgen
data_MgAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96052891
_cell_length_b   4.87548683
_cell_length_c   5.20147941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl
_chemical_formula_sum   'Mg2 Al2'
_cell_volume   75.07825633
_cell_formula_units_Z   2
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  0.50000000  0.25000000  0.33289849  1.0
  Mg  Mg1  1  0.50000000  0.75000000  0.66710151  1.0
  Al  Al2  1  -0.00000000  0.75000000  0.15750731  1.0
  Al  Al3  1  -0.00000000  0.25000000  0.84249269  1.0