data_ZrInBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   140.88
_cell_angle_beta   140.88
_cell_angle_gamma   56.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInBi2
_chemical_formula_sum   'Zr1 In1 Bi2'
_cell_volume   115.23
_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
  In  In2  1  0.0  0.22  0.92  1.0
  Bi  Bi0  1  0.22  0.0  0.92  1.0
  Bi  Bi1  1  0.0  0.0  0.84  1.0

data_ZrInBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.63
_cell_angle_alpha   109.56
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInBi2
_chemical_formula_sum   'Zr1 In1 Bi2'
_cell_volume   115.23
_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  0.0  1.0
  In  In1  1  0.3  0.22  0.3  1.0
  Bi  Bi2  1  0.08  0.0  0.3  1.0
  Bi  Bi3  1  0.16  0.0  0.16  1.0

Zr In Bi Bi
Zr In Bi Bi 0 3 o o - 1 3 o o o 2 3 o o o 
ZrInBi2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrInBi2 cluster. Zr(1) is bonded in a single-bond geometry to one Bi(2) atom. The Zr(1)-Bi(2) bond length is 1.04 Å. In(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom. The In(1)-Bi(1) bond length is 1.38 Å. The In(1)-Bi(2) bond length is 1.11 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one In(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.11 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Zr(1), one In(1), and one Bi(1) atom.