data_HfSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSb
_chemical_formula_sum   'Hf2 Sb2'
_cell_volume   104.64
_cell_formula_units_Z   2
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  0.57  0.0  0.42  1.0
  Hf  Hf1  1  0.0  0.57  0.2  1.0
  Sb  Sb2  1  0.57  0.0  0.89  1.0
  Sb  Sb3  1  0.0  0.57  0.72  1.0

data_HfSb
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   HfSb
_chemical_formula_sum   'Hf4 Sb4'
_cell_volume   209.27
_cell_formula_units_Z   4
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+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.22  0.0  0.89  1.0
  Sb  Sb1  4  0.22  0.0  0.41  1.0

Hf Hf Sb Sb
Hf Hf Sb Sb 0 1 o - o 0 1 o o o 0 1 + - o 0 1 + o o 0 0 + o o 0 0 o + o 1 1 + o o 1 1 o + o 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
HfSb crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 11-coordinate geometry to eight equivalent Hf(1) and three equivalent Sb(1) atoms. There are a spread of Hf(1)-Hf(1) bond distances ranging from 3.02-3.44 Å. There is one shorter (3.76 Å) and two longer (3.93 Å) Hf(1)-Sb(1) bond lengths. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and eight equivalent Sb(1) atoms. There are a spread of Sb(1)-Sb(1) bond distances ranging from 2.64-3.14 Å.