data_HfTaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   32.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaAl2
_chemical_formula_sum   'Hf1 Ta1 Al2'
_cell_volume   71.05
_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
  Hf  Hf2  1  0.0  0.0  0.79  1.0
  Ta  Ta3  1  0.12  0.0  0.24  1.0
  Al  Al0  1  0.0  0.0  0.9  1.0
  Al  Al1  1  0.12  0.0  0.4  1.0

data_HfTaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.25
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaAl2
_chemical_formula_sum   'Hf1 Ta1 Al2'
_cell_volume   71.05
_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
  Hf  Hf0  1  0.21  0.0  0.21  1.0
  Ta  Ta1  1  0.76  0.12  0.76  1.0
  Al  Al2  1  0.1  0.0  0.1  1.0
  Al  Al3  1  0.6  0.12  0.6  1.0

Hf Ta Al Al