data_Rb3ScBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3ScBi
_chemical_formula_sum   'Rb3 Sc1 Bi1'
_cell_volume   319.78
_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  0.42  0.0  1.0
  Rb  Rb3  1  0.0  0.0  0.42  1.0
  Rb  Rb4  1  0.42  0.0  0.0  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.42  0.42  0.42  1.0

data_Rb3ScBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.67
_cell_length_b   9.67
_cell_length_c   11.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Rb3ScBi
_chemical_formula_sum   'Rb9 Sc3 Bi3'
_cell_volume   959.35
_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  9  0.19  0.39  0.81  1.0
  Sc  Sc1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.42  1.0

Rb Rb Rb Sc Bi
Rb Rb Rb Sc Bi 0 3 o o o 0 4 o o o 0 4 o o - 0 4 - o o 1 3 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 o - o 3 4 o o o 
Rb3ScBi crystallizes in the trigonal R3m space group. Rb(1) is bonded in a distorted T-shaped geometry to two equivalent Sc(1) and one Bi(1) atom. There is one shorter (2.87 Å) and one longer (3.97 Å) Rb(1)-Sc(1) bond length. The Rb(1)-Bi(1) bond length is 4.05 Å. Sc(1) is bonded to six equivalent Rb(1) atoms to form corner-sharing ScRb6 octahedra. The corner-sharing octahedra are not tilted. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Rb(1) atoms.