data_Hf2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   32.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlCl
_chemical_formula_sum   'Hf2 Al1 Cl1'
_cell_volume   80.17
_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  0.13  1.0
  Hf  Hf3  1  0.44  0.0  0.69  1.0
  Al  Al0  1  0.0  0.0  0.32  1.0
  Cl  Cl1  1  0.44  0.0  0.88  1.0

data_Hf2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.89
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   106.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlCl
_chemical_formula_sum   'Hf2 Al1 Cl1'
_cell_volume   80.17
_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  0.31  0.44  0.31  1.0
  Hf  Hf1  1  0.87  0.0  0.87  1.0
  Al  Al2  1  0.68  0.0  0.68  1.0
  Cl  Cl3  1  0.12  0.44  0.12  1.0

Hf Hf Al Cl