data_RbNa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNa2Ni
_chemical_formula_sum   'Rb1 Na2 Ni1'
_cell_volume   120.92
_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
  Rb  Rb3  1  0.92  0.92  0.92  1.0
  Na  Na0  1  0.96  0.96  0.96  1.0
  Na  Na1  1  0.89  0.89  0.89  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_RbNa2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   13.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbNa2Ni
_chemical_formula_sum   'Rb3 Na6 Ni3'
_cell_volume   362.75
_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
  Rb  Rb0  3  0.0  0.0  0.08  1.0
  Na  Na1  3  0.0  0.0  0.04  1.0
  Na  Na2  3  0.0  0.0  0.11  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Rb Na Na Ni
Rb Na Na Ni 0 2 o o o 0 1 o o o 1 3 + + + 
RbNa2Ni is Cyanogen Chloride-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three RbNa2Ni clusters. Rb(1) is bonded in a linear geometry to one Na(1) and one Na(2) atom. The Rb(1)-Na(1) bond length is 0.51 Å. The Rb(1)-Na(2) bond length is 0.51 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a linear geometry to one Rb(1) and one Ni(1) atom. The Na(1)-Ni(1) bond length is 0.51 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Rb(1) atom. Ni(1) is bonded in a single-bond geometry to one Na(1) atom.