data_LiCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   3.88
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Co
_chemical_formula_sum   'Li1 Cr2 Co1'
_cell_volume   44.16
_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  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.21  0.94  0.52  1.0
  Cr  Cr2  1  0.21  0.94  0.19  1.0
  Co  Co0  1  0.0  0.0  0.35  1.0

data_LiCr2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   3.88
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Co
_chemical_formula_sum   'Li1 Cr2 Co1'
_cell_volume   44.16
_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
  Cr  Cr1  1  0.21  0.94  0.19  1.0
  Cr  Cr2  1  0.21  0.94  0.52  1.0
  Co  Co3  1  0.0  0.0  0.35  1.0

Li Cr Cr Co
Li Cr Cr Co 0 2 o - o 1 3 o + o 2 3 o + o 
LiCr2Co crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiCr2Co cluster. Li(1) is bonded in a distorted single-bond geometry to one Cr(2) atom. The Li(1)-Cr(2) bond length is 1.05 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Co(1) atom. The Cr(1)-Co(1) bond length is 0.95 Å. In the second Cr site, Cr(2) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Co(1) atom. The Cr(2)-Co(1) bond length is 0.95 Å. Co(1) is bonded in a water-like geometry to one Cr(1) and one Cr(2) atom.