data_LiNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   149.92
_cell_angle_beta   149.92
_cell_angle_gamma   43.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Cl
_chemical_formula_sum   'Li1 Ni2 Cl1'
_cell_volume   65.48
_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
  Ni  Ni2  1  0.66  0.0  0.97  1.0
  Ni  Ni3  1  0.0  0.66  0.97  1.0
  Cl  Cl0  1  0.0  0.0  0.95  1.0

data_LiNi2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   111.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNi2Cl
_chemical_formula_sum   'Li2 Ni4 Cl2'
_cell_volume   130.95
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.14  0.17  0.32  1.0
  Cl  Cl2  2  0.45  0.5  0.95  1.0

Li Ni Ni Cl
Li Ni Ni Cl 0 3 o o - 1 2 + - o 
LiNi2Cl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiNi2Cl clusters. Li(1) is bonded in a single-bond geometry to two equivalent Ni(1) and one Cl(1) atom. Both Li(1)-Ni(1) bond lengths are 2.04 Å. The Li(1)-Cl(1) bond length is 0.33 Å. Ni(1) is bonded in a 1-coordinate geometry to one Li(1) atom. Cl(1) is bonded in a single-bond geometry to one Li(1) atom.