# generated using pymatgen
data_HfAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26291996
_cell_length_b   4.24826328
_cell_length_c   5.64041793
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.81273860
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl
_chemical_formula_sum   'Hf2 Al2'
_cell_volume   74.84397903
_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
  Hf  Hf0  1  0.83676677  0.25000000  0.67353354  1.0
  Hf  Hf1  1  0.16323323  0.75000000  0.32646646  1.0
  Al  Al2  1  0.57037648  0.25000000  0.14075397  1.0
  Al  Al3  1  0.42962352  0.75000000  0.85924603  1.0