data_LiY2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.76
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   93.21
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.82  0.88  0.62  1.0
  Y  Y3  1  0.82  0.88  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.41  1.0

data_LiY2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.76
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Cl
_chemical_formula_sum   'Li1 Y2 Cl1'
_cell_volume   93.21
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.82  0.88  0.21  1.0
  Y  Y2  1  0.82  0.88  0.62  1.0
  Cl  Cl3  1  0.0  0.0  0.41  1.0

Li Y Y Cl
Li Y Y Cl 0 2 - - o 1 3 + + o 2 3 + + o 
LiY2Cl is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiY2Cl cluster. Li(1) is bonded in a distorted single-bond geometry to one Y(2) atom. The Li(1)-Y(2) bond length is 1.63 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Cl(1) atom. The Y(1)-Cl(1) bond length is 1.63 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one Li(1) and one Cl(1) atom. The Y(2)-Cl(1) bond length is 1.63 Å. Cl(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Y(2) atom.