# generated using pymatgen
data_HfAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97020231
_cell_length_b   3.97020211
_cell_length_c   8.99165194
_cell_angle_alpha   102.73895705
_cell_angle_beta   102.73895515
_cell_angle_gamma   90.02100013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl3
_chemical_formula_sum   'Hf2 Al6'
_cell_volume   134.66048276
_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  0.11943371  0.11943370  0.23893839  1.0
  Hf  Hf1  1  0.88056628  0.88056627  0.76106161  1.0
  Al  Al2  1  0.37514248  0.37514247  0.75029432  1.0
  Al  Al3  1  0.00000000  0.50000001  0.00000002  1.0
  Al  Al4  1  0.62485754  0.62485754  0.24970568  1.0
  Al  Al5  1  0.25000910  0.74999088  0.49999998  1.0
  Al  Al6  1  0.74999087  0.25000911  0.49999998  1.0
  Al  Al7  1  0.50000001  0.00000001  0.00000002  1.0