data_LiYCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   40.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYCo2
_chemical_formula_sum   'Li1 Y1 Co2'
_cell_volume   71.68
_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  Li2  1  0.0  0.0  0.84  1.0
  Y  Y3  1  0.95  0.0  0.89  1.0
  Co  Co0  1  0.0  0.0  1.0  1.0
  Co  Co1  1  0.95  0.0  0.01  1.0

data_LiYCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.9
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   110.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiYCo2
_chemical_formula_sum   'Li1 Y1 Co2'
_cell_volume   71.68
_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  0.16  0.0  0.16  1.0
  Y  Y1  1  0.11  0.95  0.11  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.99  0.95  0.99  1.0

Li Y Co Co
LiYCo2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiYCo2 cluster. Li(1) is bonded in a single-bond geometry to one Y(1) atom. The Li(1)-Y(1) bond length is 0.33 Å. Y(1) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one Co(2) atom. The Y(1)-Co(1) bond length is 0.60 Å. The Y(1)-Co(2) bond length is 0.63 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Y(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 0.21 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Y(1) and one Co(1) atom.