data_RbAc2Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbAc2Yb
_chemical_formula_sum   'Rb1 Ac2 Yb1'
_cell_volume   191.9
_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  Rb2  1  0.0  0.0  0.0  1.0
  Ac  Ac0  1  0.29  0.29  0.29  1.0
  Ac  Ac1  1  0.87  0.87  0.87  1.0
  Yb  Yb3  1  0.58  0.58  0.58  1.0

data_RbAc2Yb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   15.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbAc2Yb
_chemical_formula_sum   'Rb3 Ac6 Yb3'
_cell_volume   575.71
_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  0.0  1.0
  Ac  Ac1  3  0.0  0.0  0.13  1.0
  Yb  Yb2  3  0.0  0.0  0.42  1.0
  Ac  Ac3  3  0.0  0.0  0.71  1.0

Rb Ac Ac Yb
RbAc2Yb is Heusler structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a single-bond geometry to one Ac(2), four equivalent Ac(1), and three equivalent Yb(1) atoms. The Rb(1)-Ac(2) bond length is 2.11 Å. There are three shorter (3.80 Å) and one longer (4.58 Å) Rb(1)-Ac(1) bond length. All Rb(1)-Yb(1) bond lengths are 3.99 Å. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded in a 11-coordinate geometry to four equivalent Rb(1), three equivalent Ac(2), and four equivalent Yb(1) atoms. All Ac(1)-Ac(2) bond lengths are 3.99 Å. There are three shorter (3.80 Å) and one longer (4.58 Å) Ac(1)-Yb(1) bond length. In the second Ac site, Ac(2) is bonded in a single-bond geometry to one Rb(1), three equivalent Ac(1), and four equivalent Yb(1) atoms. There are three shorter (3.80 Å) and one longer (4.58 Å) Ac(2)-Yb(1) bond length. Yb(1) is bonded in a 11-coordinate geometry to three equivalent Rb(1), four equivalent Ac(1), and four equivalent Ac(2) atoms.