data_HfZrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   153.92
_cell_angle_beta   153.92
_cell_angle_gamma   37.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrSb
_chemical_formula_sum   'Hf1 Zr1 Sb1'
_cell_volume   69.49
_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  Hf0  1  0.0  0.0  0.02  1.0
  Zr  Zr2  1  0.0  0.0  0.96  1.0
  Sb  Sb1  1  0.0  0.0  0.51  1.0

data_HfZrSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   108.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZrSb
_chemical_formula_sum   'Hf2 Zr2 Sb2'
_cell_volume   138.98
_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  0.02  0.0  0.02  1.0
  Zr  Zr1  2  0.46  0.5  0.96  1.0
  Sb  Sb2  2  0.01  0.5  0.51  1.0

Hf Zr Sb
HfZrSb crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Zr(1) and one Sb(1) atom. The Hf(1)-Zr(1) bond length is 0.42 Å. The Hf(1)-Sb(1) bond length is 3.51 Å. Zr(1) is bonded in a single-bond geometry to one Hf(1) and one Sb(1) atom. The Zr(1)-Sb(1) bond length is 3.18 Å. Sb(1) is bonded in a 6-coordinate geometry to one Hf(1), one Zr(1), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.21 Å.