data_ZrBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Sb
_chemical_formula_sum   'Zr1 Bi2 Sb1'
_cell_volume   113.03
_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  0.76  1.0
  Bi  Bi0  1  0.09  0.0  0.46  1.0
  Bi  Bi1  1  0.0  0.0  0.91  1.0
  Sb  Sb2  1  0.09  0.0  0.87  1.0

data_ZrBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBi2Sb
_chemical_formula_sum   'Zr1 Bi2 Sb1'
_cell_volume   113.03
_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  0.0  0.0  0.76  1.0
  Bi  Bi1  1  0.0  0.0  0.91  1.0
  Bi  Bi2  1  0.09  0.0  0.46  1.0
  Sb  Sb3  1  0.09  0.0  0.87  1.0

Zr Bi Bi Sb
ZrBi2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrBi2Sb cluster. Zr(1) is bonded in a single-bond geometry to one Bi(1) and one Sb(1) atom. The Zr(1)-Bi(1) bond length is 3.24 Å. The Zr(1)-Sb(1) bond length is 1.20 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Zr(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Sb(1) atom. The Bi(2)-Sb(1) bond length is 0.50 Å. Sb(1) is bonded in a distorted bent 120 degrees geometry to one Zr(1) and one Bi(2) atom.