data_HfCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.52
_cell_angle_alpha   104.52
_cell_angle_beta   104.52
_cell_angle_gamma   28.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCl
_chemical_formula_sum   'Hf3 Cl3'
_cell_volume   126.16
_cell_formula_units_Z   3
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  Hf3  1  0.9  0.0  0.24  1.0
  Hf  Hf4  1  0.11  0.0  0.88  1.0
  Hf  Hf5  1  0.39  0.0  0.1  1.0
  Cl  Cl0  1  0.51  0.0  0.91  1.0
  Cl  Cl1  1  0.14  0.0  0.65  1.0
  Cl  Cl2  1  0.4  0.0  0.37  1.0

data_HfCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.5
_cell_length_c   6.52
_cell_angle_alpha   104.52
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCl
_chemical_formula_sum   'Hf3 Cl3'
_cell_volume   126.16
_cell_formula_units_Z   3
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  0.1  0.76  1.0
  Hf  Hf1  1  0.0  0.61  0.9  1.0
  Hf  Hf2  1  0.0  0.89  0.12  1.0
  Cl  Cl3  1  0.0  0.49  0.09  1.0
  Cl  Cl4  1  0.0  0.6  0.63  1.0
  Cl  Cl5  1  0.0  0.86  0.35  1.0

Hf Hf Hf Cl Cl Cl