data_KZnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   55.03
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.67  1.0
  B  B0  1  0.89  0.0  0.79  1.0
  B  B1  1  0.89  0.0  0.55  1.0

data_KZnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnB2
_chemical_formula_sum   'K1 Zn1 B2'
_cell_volume   55.03
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.67  1.0
  B  B2  1  0.89  0.0  0.55  1.0
  B  B3  1  0.89  0.0  0.79  1.0

K Zn B B
K Zn B B 0 2 - o - 1 3 - o o 1 2 - o o 
KZnB2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KZnB2 cluster. K(1) is bonded in a single-bond geometry to one B(1) atom. The K(1)-B(1) bond length is 1.58 Å. Zn(1) is bonded in a bent 150 degrees geometry to one B(1) and one B(2) atom. The Zn(1)-B(1) bond length is 0.92 Å. The Zn(1)-B(2) bond length is 0.92 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 150 degrees geometry to one K(1) and one Zn(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Zn(1) atom.