data_KZrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrBi2
_chemical_formula_sum   'K1 Zr1 Bi2'
_cell_volume   116.2
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.99  0.99  0.0  1.0
  Bi  Bi0  1  0.99  0.0  0.63  1.0
  Bi  Bi1  1  0.0  0.99  0.63  1.0

data_KZrBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KZrBi2
_chemical_formula_sum   'K2 Zr2 Bi4'
_cell_volume   232.4
_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
  K  K0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.49  0.5  0.0  1.0
  Bi  Bi2  4  0.49  0.49  0.63  1.0

K Zr Bi Bi
K Zr Bi Bi 0 1 - - o 2 3 + - o 
KZr(Bi)2 is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two bismuth molecules and two KZr clusters. In each KZr cluster, K(1) is bonded in a single-bond geometry to one Zr(1) atom. The K(1)-Zr(1) bond length is 0.11 Å. Zr(1) is bonded in a single-bond geometry to one K(1) atom.