data_Hf2CoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoCl
_chemical_formula_sum   'Hf2 Co1 Cl1'
_cell_volume   78.89
_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  0.4  1.0
  Hf  Hf3  1  0.6  0.6  0.88  1.0
  Co  Co1  1  0.6  0.6  0.25  1.0
  Cl  Cl0  1  0.0  0.0  0.61  1.0

data_Hf2CoCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoCl
_chemical_formula_sum   'Hf4 Co2 Cl2'
_cell_volume   157.77
_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  0.0  0.0  0.4  1.0
  Hf  Hf1  2  0.1  0.5  0.88  1.0
  Co  Co2  2  0.1  0.5  0.25  1.0
  Cl  Cl3  2  0.0  0.0  0.61  1.0

Hf Hf Co Cl
Hf Hf Co Cl 0 3 o o o 0 2 o - o 0 2 - o o 0 2 - - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o + 
Hf2CoCl crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one Cl(1) atom. There are a spread of Hf(1)-Co(1) bond distances ranging from 2.11-2.96 Å. The Hf(1)-Cl(1) bond length is 1.63 Å. In the second Hf site, Hf(2) is bonded in a 4-coordinate geometry to one Co(1) and three equivalent Cl(1) atoms. The Hf(2)-Co(1) bond length is 2.84 Å. There is one shorter (2.74 Å) and two longer (3.11 Å) Hf(2)-Cl(1) bond lengths. Co(1) is bonded in a 5-coordinate geometry to one Hf(2) and four equivalent Hf(1) atoms. Cl(1) is bonded in a distorted single-bond geometry to one Hf(1) and three equivalent Hf(2) atoms.