data_Hf3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   116.43
_cell_angle_beta   116.43
_cell_angle_gamma   116.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cl
_chemical_formula_sum   'Hf3 Cl1'
_cell_volume   85.46
_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  Hf1  1  0.61  0.62  0.08  1.0
  Hf  Hf2  1  0.39  0.62  0.08  1.0
  Hf  Hf3  1  0.0  0.76  0.08  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   116.43
_cell_angle_beta   101.03
_cell_angle_gamma   101.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cl
_chemical_formula_sum   'Hf3 Cl1'
_cell_volume   85.46
_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  0.08  0.08  0.31  1.0
  Hf  Hf1  1  0.08  0.47  0.46  1.0
  Hf  Hf2  1  0.08  0.68  0.46  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Hf Cl