data_HfAl2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Se
_chemical_formula_sum   'Hf1 Al2 Se1'
_cell_volume   74.82
_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  0.69  0.0  0.0  1.0
  Al  Al0  1  0.34  0.14  0.62  1.0
  Al  Al1  1  0.34  0.86  0.62  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_HfAl2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   115.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Se
_chemical_formula_sum   'Hf1 Al2 Se1'
_cell_volume   74.82
_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  0.0  0.69  0.0  1.0
  Al  Al1  1  0.62  0.34  0.86  1.0
  Al  Al2  1  0.62  0.34  0.14  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Al Al Se
Hf Al Al Se 0 3 + o o 1 2 o - o 