# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18552687
_cell_length_b   6.18552687
_cell_length_c   4.95010738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999174
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Al
_chemical_formula_sum   'Mg6 Al2'
_cell_volume   164.02070833
_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  0.66265450  0.83132725  0.75000000  1.0
  Mg  Mg1  1  0.16867275  0.33734550  0.75000000  1.0
  Mg  Mg2  1  0.16867275  0.83132725  0.75000000  1.0
  Mg  Mg3  1  0.83132725  0.66265450  0.25000000  1.0
  Mg  Mg4  1  0.83132725  0.16867275  0.25000000  1.0
  Mg  Mg5  1  0.33734550  0.16867275  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.75000000  1.0
  Al  Al7  1  0.33333300  0.66666700  0.25000000  1.0