data_K2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   122.02
_cell_angle_beta   122.02
_cell_angle_gamma   86.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiBi
_chemical_formula_sum   'K2 Ni1 Bi1'
_cell_volume   111.15
_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
  K  K2  1  0.64  0.0  0.99  1.0
  Ni  Ni3  1  0.0  0.0  0.97  1.0
  Bi  Bi0  1  0.0  0.64  0.99  1.0

data_K2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.46
_cell_angle_alpha   118.99
_cell_angle_beta   118.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NiBi
_chemical_formula_sum   'K2 Ni1 Bi1'
_cell_volume   111.15
_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
  K  K1  1  0.01  0.0  0.66  1.0
  Ni  Ni2  1  0.03  0.0  0.03  1.0
  Bi  Bi3  1  0.66  0.64  0.66  1.0

K K Ni Bi
K2NiBi crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one K(2), one Ni(1), and one Bi(1) atom. The K(1)-K(2) bond length is 1.90 Å. The K(1)-Ni(1) bond length is 0.15 Å. The K(1)-Bi(1) bond length is 1.90 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one K(1), two equivalent Ni(1), and five equivalent Bi(1) atoms. There is one shorter (1.98 Å) and one longer (3.48 Å) K(2)-Ni(1) bond length. There are a spread of K(2)-Bi(1) bond distances ranging from 2.66-4.12 Å. Ni(1) is bonded in a single-bond geometry to one K(1) and two equivalent K(2) atoms. Bi(1) is bonded in a distorted single-bond geometry to one K(1) and five equivalent K(2) atoms.