data_HfAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs2Cl
_chemical_formula_sum   'Hf1 As2 Cl1'
_cell_volume   77.68
_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  Hf3  1  0.55  0.55  0.0  1.0
  As  As0  1  0.55  0.0  0.49  1.0
  As  As1  1  0.0  0.55  0.49  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_HfAs2Cl
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   HfAs2Cl
_chemical_formula_sum   'Hf2 As4 Cl2'
_cell_volume   155.36
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.55  1.0
  As  As1  4  0.5  0.22  0.78  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Hf As As Cl
Hf As As Cl 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 1 o o - 0 1 o o o 0 1 o + - 0 1 o + o 0 0 o o + 0 3 + + o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 2 + - o 1 1 o o + 2 3 o o o 2 3 o o + 2 3 o + o 2 3 o + + 2 2 o o + 3 3 o o + 
HfAs2Cl crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 8-coordinate geometry to eight equivalent As(1) atoms. There are a spread of Hf(1)-As(1) bond distances ranging from 2.71-3.21 Å. As(1) is bonded in a 6-coordinate geometry to four equivalent Hf(1) and two equivalent Cl(1) atoms. There is one shorter (2.71 Å) and one longer (2.74 Å) As(1)-Cl(1) bond length. Cl(1) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms.