data_CsLi2Ac
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsLi2Ac
_chemical_formula_sum   'Cs1 Li2 Ac1'
_cell_volume   154.7
_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
  Cs  Cs1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.39  0.39  0.39  1.0
  Li  Li3  1  0.13  0.13  0.13  1.0
  Ac  Ac0  1  0.26  0.26  0.26  1.0

data_CsLi2Ac
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   14.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsLi2Ac
_chemical_formula_sum   'Cs3 Li6 Ac3'
_cell_volume   464.1
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cs  Cs0  3  0.0  0.0  0.0  1.0
  Li  Li1  3  0.0  0.0  0.61  1.0
  Li  Li2  3  0.0  0.0  0.87  1.0
  Ac  Ac3  3  0.0  0.0  0.74  1.0

Cs Li Li Ac
Cs Li Li Ac 0 2 o o o 1 3 o o o 2 3 o o o 
CsLi2Ac is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CsLi2Ac clusters. Cs(1) is bonded in a single-bond geometry to one Li(2) atom. The Cs(1)-Li(2) bond length is 1.92 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Ac(1) atom. The Li(1)-Ac(1) bond length is 1.92 Å. In the second Li site, Li(2) is bonded in a linear geometry to one Cs(1) and one Ac(1) atom. The Li(2)-Ac(1) bond length is 1.92 Å. Ac(1) is bonded in a linear geometry to one Li(1) and one Li(2) atom.