data_Zr2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaSb
_chemical_formula_sum   'Zr2 Ga1 Sb1'
_cell_volume   84.85
_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
  Zr  Zr2  1  0.06  0.0  0.2  1.0
  Zr  Zr3  1  0.06  0.0  0.9  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.05  1.0

data_Zr2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GaSb
_chemical_formula_sum   'Zr2 Ga1 Sb1'
_cell_volume   84.85
_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
  Zr  Zr0  1  0.06  0.0  0.2  1.0
  Zr  Zr1  1  0.06  0.0  0.9  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.05  1.0

Zr Zr Ga Sb
Zr2GaSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2GaSb cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one Sb(1) atom. The Zr(1)-Sb(1) bond length is 1.25 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Ga(1) atom. The Zr(2)-Ga(1) bond length is 0.83 Å. Ga(1) is bonded in a linear geometry to one Zr(2) and one Sb(1) atom. The Ga(1)-Sb(1) bond length is 0.43 Å. Sb(1) is bonded in a linear geometry to one Zr(1) and one Ga(1) atom.