data_CsRb3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsRb3As
_chemical_formula_sum   'Cs1 Rb3 As1'
_cell_volume   396.13
_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  0.67  0.67  0.67  1.0
  Rb  Rb2  1  0.67  0.0  0.67  1.0
  Rb  Rb3  1  0.67  0.67  0.0  1.0
  Rb  Rb4  1  0.0  0.67  0.67  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_CsRb3As
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.39
_cell_length_b   10.39
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsRb3As
_chemical_formula_sum   'Cs3 Rb9 As3'
_cell_volume   1188.38
_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  0.67  1.0
  Rb  Rb1  9  0.22  0.11  0.78  1.0
  As  As2  3  0.0  0.0  0.0  1.0

Cs Rb Rb Rb As
CsRb3As is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CsRb3As clusters. Cs(1) is bonded in a 3-coordinate geometry to three equivalent Rb(1) atoms. All Cs(1)-Rb(1) bond lengths are 2.41 Å. Rb(1) is bonded in an L-shaped geometry to one Cs(1) and one As(1) atom. The Rb(1)-As(1) bond length is 3.41 Å. As(1) is bonded in a 3-coordinate geometry to three equivalent Rb(1) atoms.