data_HfZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Cl
_chemical_formula_sum   'Hf1 Zn2 Cl1'
_cell_volume   76.55
_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  0.42  0.42  0.0  1.0
  Zn  Zn2  1  0.42  0.0  0.63  1.0
  Zn  Zn3  1  0.0  0.42  0.63  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfZn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZn2Cl
_chemical_formula_sum   'Hf2 Zn4 Cl2'
_cell_volume   153.09
_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  0.42  0.0  0.0  1.0
  Zn  Zn1  4  0.21  0.21  0.63  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Hf Zn Zn Cl
Hf Zn Zn Cl 0 3 o o o 0 2 o o - 0 2 o o o 0 2 + o - 0 1 o o - 0 1 o o o 0 1 o + - 1 3 o o o 1 3 o o + 1 3 + o + 1 2 o o o 2 3 o o o 2 3 o o + 2 3 o + + 
HfZn2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfZn2Cl clusters. Hf(1) is bonded in a 2-coordinate geometry to two equivalent Zn(1) atoms. Both Hf(1)-Zn(1) bond lengths are 2.39 Å. Zn(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Cl(1) atom. The Zn(1)-Cl(1) bond length is 2.39 Å. Cl(1) is bonded in a 2-coordinate geometry to two equivalent Zn(1) atoms.