data_RbNaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNaNi3
_chemical_formula_sum   'Rb1 Na1 Ni3'
_cell_volume   117.21
_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  0.45  0.45  0.45  1.0
  Na  Na4  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.45  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.45  1.0
  Ni  Ni2  1  0.45  0.0  0.0  1.0

data_RbNaNi3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbNaNi3
_chemical_formula_sum   'Rb3 Na3 Ni9'
_cell_volume   351.64
_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  0.45  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Ni  Ni2  9  0.18  0.37  0.82  1.0

Rb Na Ni Ni Ni
RbNaNi3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded to twelve equivalent Ni(1) atoms to form distorted RbNi12 cuboctahedra that share corners with twelve equivalent Rb(1)Ni12 cuboctahedra, faces with six equivalent Rb(1)Ni12 cuboctahedra, and faces with eight equivalent Na(1)Ni6 octahedra. There are a spread of Rb(1)-Ni(1) bond distances ranging from 3.09-3.83 Å. Na(1) is bonded to six equivalent Ni(1) atoms to form NaNi6 octahedra that share corners with six equivalent Na(1)Ni6 octahedra and faces with eight equivalent Rb(1)Ni12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.19 Å) and three longer (2.71 Å) Na(1)-Ni(1) bond lengths. Ni(1) is bonded in a 1-coordinate geometry to four equivalent Rb(1) and two equivalent Na(1) atoms.