data_KLi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.91
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   96.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Bi
_chemical_formula_sum   'K1 Li2 Bi1'
_cell_volume   122.23
_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  0.34  0.45  0.31  1.0
  Li  Li3  1  0.4  0.45  0.63  1.0
  Bi  Bi0  1  0.37  0.0  0.47  1.0

data_KLi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.91
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   96.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Bi
_chemical_formula_sum   'K1 Li2 Bi1'
_cell_volume   122.23
_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  0.34  0.45  0.31  1.0
  Li  Li2  1  0.4  0.45  0.63  1.0
  Bi  Bi3  1  0.37  0.0  0.47  1.0

K Li Li Bi
KLi2Bi crystallizes in the triclinic P1 space group. K(1) is bonded in a 9-coordinate geometry to two equivalent K(1), two equivalent Li(1), two equivalent Li(2), and three equivalent Bi(1) atoms. Both K(1)-K(1) bond lengths are 3.59 Å. There is one shorter (3.23 Å) and one longer (3.56 Å) K(1)-Li(1) bond length. There is one shorter (3.81 Å) and one longer (3.84 Å) K(1)-Li(2) bond length. There are a spread of K(1)-Bi(1) bond distances ranging from 3.40-4.10 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent K(1), one Li(2), and two equivalent Bi(1) atoms. The Li(1)-Li(2) bond length is 2.25 Å. There is one shorter (2.49 Å) and one longer (2.91 Å) Li(1)-Bi(1) bond length. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent K(1), one Li(1), and two equivalent Bi(1) atoms. There is one shorter (2.49 Å) and one longer (2.91 Å) Li(2)-Bi(1) bond length. Bi(1) is bonded in a 5-coordinate geometry to three equivalent K(1), two equivalent Li(1), and two equivalent Li(2) atoms.