data_BaZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnBi2
_chemical_formula_sum   'Ba1 Zn1 Bi2'
_cell_volume   134.44
_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
  Ba  Ba0  1  0.13  0.13  0.42  1.0
  Zn  Zn3  1  0.0  0.0  0.42  1.0
  Bi  Bi1  1  0.0  0.0  0.47  1.0
  Bi  Bi2  1  0.13  0.13  0.78  1.0

data_BaZnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnBi2
_chemical_formula_sum   'Ba2 Zn2 Bi4'
_cell_volume   268.88
_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
  Ba  Ba0  2  0.13  0.0  0.42  1.0
  Zn  Zn1  2  0.0  0.0  0.42  1.0
  Bi  Bi2  2  0.0  0.0  0.47  1.0
  Bi  Bi3  2  0.13  0.0  0.78  1.0

Ba Zn Bi Bi
Ba Zn Bi Bi 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
BaZnBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaZnBi2 clusters. Ba(1) is bonded in a 2-coordinate geometry to one Zn(1), one Bi(1), and one Bi(2) atom. The Ba(1)-Zn(1) bond length is 0.80 Å. The Ba(1)-Bi(1) bond length is 0.87 Å. The Ba(1)-Bi(2) bond length is 2.60 Å. Zn(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Bi(1) atom. The Zn(1)-Bi(1) bond length is 0.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Ba(1), one Zn(1), and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 2.38 Å. In the second Bi site, Bi(2) is bonded in a 2-coordinate geometry to one Ba(1) and one Bi(1) atom.