data_KYBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   125.35
_cell_angle_beta   125.35
_cell_angle_gamma   80.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYBi2
_chemical_formula_sum   'K1 Y1 Bi2'
_cell_volume   125.92
_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
  Y  Y3  1  0.0  0.0  0.42  1.0
  Bi  Bi0  1  0.0  0.67  0.21  1.0
  Bi  Bi1  1  0.67  0.0  0.21  1.0

data_KYBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   130.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KYBi2
_chemical_formula_sum   'K2 Y2 Bi4'
_cell_volume   251.83
_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
  Y  Y1  2  0.0  0.0  0.42  1.0
  Bi  Bi2  4  0.17  0.17  0.54  1.0

K Y Bi Bi
KYBi2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent Y(1) and six equivalent Bi(1) atoms. There is one shorter (2.45 Å) and one longer (3.36 Å) K(1)-Y(1) bond length. There are a spread of K(1)-Bi(1) bond distances ranging from 2.82-3.81 Å. Y(1) is bonded in a water-like geometry to two equivalent K(1) and two equivalent Bi(1) atoms. Both Y(1)-Bi(1) bond lengths are 1.58 Å. Bi(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Y(1) atom.