data_KLi6BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   101.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi6BiO6
_chemical_formula_sum   'K1 Li6 Bi1 O6'
_cell_volume   149.1
_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
  Li  Li2  1  0.55  0.51  0.65  1.0
  Li  Li3  1  0.45  0.49  0.65  1.0
  Li  Li4  1  0.9  0.0  0.65  1.0
  Li  Li5  1  0.45  0.51  0.65  1.0
  Li  Li6  1  0.1  0.0  0.65  1.0
  Li  Li7  1  0.55  0.49  0.65  1.0
  Bi  Bi0  1  0.0  0.0  0.65  1.0
  O  O8  1  0.57  0.9  0.5  1.0
  O  O9  1  0.57  0.1  0.79  1.0
  O  O10  1  0.0  0.81  0.79  1.0
  O  O11  1  0.0  0.19  0.5  1.0
  O  O12  1  0.43  0.9  0.5  1.0
  O  O13  1  0.43  0.1  0.79  1.0

data_KLi6BiO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   101.53
_cell_angle_beta   101.53
_cell_angle_gamma   101.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi6BiO6
_chemical_formula_sum   'K1 Li6 Bi1 O6'
_cell_volume   149.1
_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
  Li  Li1  1  0.1  0.0  0.65  1.0
  Li  Li2  1  0.45  0.49  0.65  1.0
  Li  Li3  1  0.45  0.51  0.65  1.0
  Li  Li4  1  0.55  0.49  0.65  1.0
  Li  Li5  1  0.55  0.51  0.65  1.0
  Li  Li6  1  0.9  0.0  0.65  1.0
  Bi  Bi7  1  0.0  0.0  0.65  1.0
  O  O8  1  0.0  0.19  0.5  1.0
  O  O9  1  0.0  0.81  0.79  1.0
  O  O10  1  0.43  0.1  0.79  1.0
  O  O11  1  0.43  0.9  0.5  1.0
  O  O12  1  0.57  0.1  0.79  1.0
  O  O13  1  0.57  0.9  0.5  1.0

K Li Li Li Li Li Li Bi O O O O O O
K Li Li Li Li Li Li Bi O O O O O O 0 10 o - - 1 6 o o o 2 4 o o o 3 7 + o o 3 10 + - o 3 11 + o o 5 7 o o o 5 10 o - o 5 11 o o o 7 10 o - o 7 11 o o o 8 12 o o o 9 13 o o o 
Li6KBiO6 crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted single-bond geometry to one O(2), one O(3), and one O(4) atom. The K(1)-O(2) bond length is 2.60 Å. The K(1)-O(3) bond length is 1.38 Å. The K(1)-O(4) bond length is 2.71 Å. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(6) atom. The Li(1)-Li(6) bond length is 0.12 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Li(4) and one O(4) atom. The Li(2)-Li(4) bond length is 0.12 Å. The Li(2)-O(4) bond length is 2.52 Å. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one Bi(1), one O(1), one O(2), and one O(4) atom. The Li(3)-Bi(1) bond length is 0.55 Å. The Li(3)-O(1) bond length is 1.75 Å. The Li(3)-O(2) bond length is 2.23 Å. The Li(3)-O(4) bond length is 1.51 Å. In the fourth Li site, Li(4) is bonded in a distorted single-bond geometry to one Li(2) and one O(5) atom. The Li(4)-O(5) bond length is 2.43 Å. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one Bi(1), one O(4), one O(5), and one O(6) atom. The Li(5)-Bi(1) bond length is 0.55 Å. The Li(5)-O(4) bond length is 1.54 Å. The Li(5)-O(5) bond length is 2.23 Å. The Li(5)-O(6) bond length is 1.75 Å. In the sixth Li site, Li(6) is bonded in a distorted single-bond geometry to one Li(1) and one O(2) atom. The Li(6)-O(2) bond length is 2.43 Å. Bi(1) is bonded in a linear geometry to one Li(3), one Li(5), and one O(4) atom. The Bi(1)-O(4) bond length is 1.43 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(3), one O(2), and one O(5) atom. The O(1)-O(2) bond length is 1.71 Å. The O(1)-O(5) bond length is 0.72 Å. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), one Li(3), one Li(6), one O(1), one O(5), and one O(6) atom. The O(2)-O(5) bond length is 1.64 Å. The O(2)-O(6) bond length is 0.72 Å. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one K(1), one Li(2), one Li(3), one Li(5), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), one O(1), and one O(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(5) and one O(2) atom.