data_HfTiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiCl2
_chemical_formula_sum   'Hf1 Ti1 Cl2'
_cell_volume   75.89
_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  0.31  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.49  0.0  0.08  1.0
  Cl  Cl1  1  0.49  0.0  0.53  1.0

data_HfTiCl2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.97
_cell_length_b   8.62
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   116.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HfTiCl2
_chemical_formula_sum   'Hf1 Ti1 Cl2'
_cell_volume   75.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.47  0.5  1.0
  Cl  Cl3  1  0.0  0.92  0.5  1.0

Hf Ti Cl Cl