data_HfTaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.12
_cell_length_c   3.15
_cell_angle_alpha   83.96
_cell_angle_beta   71.28
_cell_angle_gamma   24.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaCl
_chemical_formula_sum   'Hf1 Ta1 Cl1'
_cell_volume   58.68
_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  0.54  0.75  0.21  1.0
  Ta  Ta2  1  0.54  0.75  0.66  1.0
  Cl  Cl0  1  0.54  0.75  0.03  1.0

data_HfTaCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.07
_cell_length_b   13.9
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   119.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTaCl
_chemical_formula_sum   'Hf2 Ta2 Cl2'
_cell_volume   117.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.25  0.5  0.25  1.0
  Ta  Ta1  2  0.25  0.5  0.8  1.0
  Cl  Cl2  2  0.25  0.5  0.44  1.0

Hf Ta Cl
HfTaCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfTaCl clusters. Hf(1) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Hf(1)-Cl(1) bond length is 0.57 Å. Ta(1) is bonded in a distorted single-bond geometry to one Cl(1) atom. The Ta(1)-Cl(1) bond length is 1.15 Å. Cl(1) is bonded in a linear geometry to one Hf(1) and one Ta(1) atom.