data_ZrInSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   38.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInSb2
_chemical_formula_sum   'Zr1 In1 Sb2'
_cell_volume   101.46
_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  Zr3  1  0.0  0.0  0.98  1.0
  In  In0  1  0.19  0.0  0.11  1.0
  Sb  Sb1  1  0.0  0.0  0.19  1.0
  Sb  Sb2  1  0.19  0.0  0.97  1.0

data_ZrInSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.38
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   109.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInSb2
_chemical_formula_sum   'Zr1 In1 Sb2'
_cell_volume   101.46
_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  0.02  0.0  0.02  1.0
  In  In1  1  0.89  0.19  0.89  1.0
  Sb  Sb2  1  0.03  0.19  0.03  1.0
  Sb  Sb3  1  0.81  0.0  0.81  1.0

Zr In Sb Sb
ZrInSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrInSb2 cluster. Zr(1) is bonded in a 3-coordinate geometry to one In(1), one Sb(1), and one Sb(2) atom. The Zr(1)-In(1) bond length is 1.12 Å. The Zr(1)-Sb(1) bond length is 1.26 Å. The Zr(1)-Sb(2) bond length is 0.84 Å. In(1) is bonded in a 3-coordinate geometry to one Zr(1), one Sb(1), and one Sb(2) atom. The In(1)-Sb(1) bond length is 0.97 Å. The In(1)-Sb(2) bond length is 0.85 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 2-coordinate geometry to one Zr(1) and one In(1) atom. In the second Sb site, Sb(2) is bonded in an L-shaped geometry to one Zr(1) and one In(1) atom.