data_ZrSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSb3
_chemical_formula_sum   'Zr1 Sb3'
_cell_volume   100.2
_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  0.0  1.0
  Sb  Sb0  1  0.0  0.61  0.84  1.0
  Sb  Sb1  1  0.61  0.61  0.0  1.0
  Sb  Sb2  1  0.61  0.0  0.84  1.0

data_ZrSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSb3
_chemical_formula_sum   'Zr2 Sb6'
_cell_volume   200.41
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.3  0.3  0.84  1.0
  Sb  Sb2  2  0.11  0.5  -0.0  1.0

Zr Sb Sb Sb
ZrSb3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrSb3 clusters. Zr(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms. Both Zr(1)-Sb(1) bond lengths are 2.13 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.13 Å. In the second Sb site, Sb(2) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms.