# generated using pymatgen
data_Mg3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14570856
_cell_length_b   4.89045703
_cell_length_c   5.34019329
_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   'Mg3 Al1'
_cell_volume   82.15328014
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.66877559  1.0
  Mg  Mg1  1  -0.00000000  0.50000000  0.32565244  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.83781447  1.0
  Al  Al3  1  0.50000000  0.00000000  0.16775650  1.0