data_KLiY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiY2
_chemical_formula_sum   'K1 Li1 Y2'
_cell_volume   144.94
_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  0.8  0.8  0.78  1.0
  Li  Li1  1  0.0  0.0  0.85  1.0
  Y  Y2  1  0.8  0.8  0.14  1.0
  Y  Y3  1  0.0  0.0  0.32  1.0

data_KLiY2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   11.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLiY2
_chemical_formula_sum   'K2 Li2 Y4'
_cell_volume   289.88
_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  0.3  0.5  0.78  1.0
  Li  Li1  2  0.0  0.0  0.85  1.0
  Y  Y2  2  0.0  0.0  0.32  1.0
  Y  Y3  2  0.3  0.5  0.14  1.0

K Li Y Y
KLiY2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KLiY2 clusters. K(1) is bonded in a single-bond geometry to one Li(1) atom. The K(1)-Li(1) bond length is 1.29 Å. Li(1) is bonded in a single-bond geometry to one K(1) and one Y(1) atom. The Li(1)-Y(1) bond length is 3.38 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Li(1) and one Y(2) atom. The Y(1)-Y(2) bond length is 2.34 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(1) atom.