data_KNa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Bi
_chemical_formula_sum   'K1 Na2 Bi1'
_cell_volume   155.58
_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  K1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.83  0.0  0.08  1.0
  Na  Na3  1  0.83  0.0  0.4  1.0
  Bi  Bi0  1  0.0  0.0  0.74  1.0

data_KNa2Bi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KNa2Bi
_chemical_formula_sum   'K1 Na2 Bi1'
_cell_volume   155.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na1  1  0.83  0.0  0.08  1.0
  Na  Na2  1  0.83  0.0  0.4  1.0
  Bi  Bi3  1  0.0  0.0  0.74  1.0

K Na Na Bi
K Na Na Bi 0 1 - o o 0 2 - o o 0 3 o o - 1 2 o o o 2 3 + o o 
KNa2Bi crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one KNa2Bi cluster. K(1) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one Bi(1) atom. The K(1)-Na(1) bond length is 1.01 Å. The K(1)-Bi(1) bond length is 2.49 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one K(1) atom. In the second Na site, Na(2) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Na(2)-Bi(1) bond length is 3.30 Å. Bi(1) is bonded in a linear geometry to one K(1) and one Na(2) atom.