# generated using pymatgen
data_MgAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44004904
_cell_length_b   5.44004904
_cell_length_c   8.58534262
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2
_chemical_formula_sum   'Mg4 Al8'
_cell_volume   220.03605815
_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  0.66666700  0.33333400  0.93650366  1.0
  Mg  Mg1  1  0.33333300  0.66666600  0.43650366  1.0
  Mg  Mg2  1  0.33333300  0.66666600  0.06349634  1.0
  Mg  Mg3  1  0.66666700  0.33333400  0.56349634  1.0
  Al  Al4  1  0.00000000  -0.00000000  0.00000000  1.0
  Al  Al5  1  0.00000000  -0.00000000  0.50000000  1.0
  Al  Al6  1  0.82866560  0.17133440  0.25000000  1.0
  Al  Al7  1  0.17133440  0.34266879  0.75000000  1.0
  Al  Al8  1  0.65733121  0.82866560  0.75000000  1.0
  Al  Al9  1  0.34266879  0.17133440  0.25000000  1.0
  Al  Al10  1  0.82866560  0.65733121  0.25000000  1.0
  Al  Al11  1  0.17133440  0.82866560  0.75000000  1.0