data_CsRbLi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsRbLi3
_chemical_formula_sum   'Cs1 Rb1 Li3'
_cell_volume   314.55
_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  Cs0  1  0.4  0.4  0.4  1.0
  Rb  Rb1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.0  0.4  0.0  1.0
  Li  Li3  1  0.0  0.0  0.4  1.0
  Li  Li4  1  0.4  0.0  0.0  1.0

data_CsRbLi3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.62
_cell_length_b   9.62
_cell_length_c   11.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsRbLi3
_chemical_formula_sum   'Cs3 Rb3 Li9'
_cell_volume   943.65
_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  0.4  1.0
  Rb  Rb1  3  0.0  0.0  0.0  1.0
  Li  Li2  9  0.2  0.4  0.8  1.0

Cs Rb Li Li Li
Cs Rb Li Li Li 0 1 o o o 0 3 o o o 0 2 o o o 0 4 o o o 1 4 o o o 1 3 o o o 1 2 o o o 
CsRbLi3 crystallizes in the trigonal R3m space group. Cs(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) atoms. All Cs(1)-Li(1) bond lengths are 3.85 Å. Rb(1) is bonded to six equivalent Li(1) atoms to form distorted corner-sharing RbLi6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.72 Å) and three longer (4.08 Å) Rb(1)-Li(1) bond lengths. Li(1) is bonded in a distorted T-shaped geometry to one Cs(1) and two equivalent Rb(1) atoms.