data_CsRb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsRb2Ga
_chemical_formula_sum   'Cs1 Rb2 Ga1'
_cell_volume   217.33
_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  0.77  0.77  0.77  1.0
  Rb  Rb2  1  0.39  0.39  0.39  1.0
  Rb  Rb3  1  0.16  0.16  0.16  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_CsRb2Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   16.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsRb2Ga
_chemical_formula_sum   'Cs3 Rb6 Ga3'
_cell_volume   651.98
_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  0.23  1.0
  Rb  Rb1  3  0.0  0.0  0.61  1.0
  Rb  Rb2  3  0.0  0.0  0.84  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Cs Rb Rb Ga
Cs Rb Rb Ga 0 3 + o + 0 3 o + + 0 3 + + o 0 3 + + + 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 o o o 
CsRb2Ga crystallizes in the trigonal R3m space group. Cs(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Ga(1) atom. All Cs(1)-Rb(1) bond lengths are 3.99 Å. The Cs(1)-Ga(1) bond length is 3.77 Å. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Rb(2), and three equivalent Ga(1) atoms. The Rb(1)-Rb(2) bond length is 3.77 Å. All Rb(1)-Ga(1) bond lengths are 3.99 Å. In the second Rb site, Rb(2) is bonded in a single-bond geometry to one Rb(1) and one Ga(1) atom. The Rb(2)-Ga(1) bond length is 2.61 Å. Ga(1) is bonded in a distorted single-bond geometry to one Cs(1), one Rb(2), and three equivalent Rb(1) atoms.