data_Rb2NaYb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2NaYb
_chemical_formula_sum   'Rb2 Na1 Yb1'
_cell_volume   228.99
_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  Rb1  1  0.28  0.28  0.28  1.0
  Rb  Rb2  1  0.43  0.43  0.43  1.0
  Na  Na0  1  0.0  0.0  0.0  1.0
  Yb  Yb3  1  0.86  0.86  0.86  1.0

data_Rb2NaYb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   16.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb2NaYb
_chemical_formula_sum   'Rb6 Na3 Yb3'
_cell_volume   686.96
_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  0.57  1.0
  Rb  Rb1  3  0.0  0.0  0.72  1.0
  Na  Na2  3  0.0  0.0  0.0  1.0
  Yb  Yb3  3  0.0  0.0  0.14  1.0

Rb Rb Na Yb
Rb Rb Na Yb 0 1 o o o 2 3 - - - 
Rb2NaYb crystallizes in the trigonal R3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted single-bond geometry to one Rb(2) atom. The Rb(1)-Rb(2) bond length is 2.43 Å. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one Rb(1), three equivalent Na(1), and three equivalent Yb(1) atoms. All Rb(2)-Na(1) bond lengths are 4.27 Å. All Rb(2)-Yb(1) bond lengths are 4.27 Å. Na(1) is bonded in a single-bond geometry to three equivalent Rb(2) and one Yb(1) atom. The Na(1)-Yb(1) bond length is 2.43 Å. Yb(1) is bonded in a distorted single-bond geometry to three equivalent Rb(2) and one Na(1) atom.