data_SnBiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiRh
_chemical_formula_sum   'Sn1 Bi1 Rh1'
_cell_volume   79.87
_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
  Sn  Sn2  1  0.42  0.42  0.42  1.0
  Bi  Bi0  1  0.71  0.71  0.71  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_SnBiRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_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   SnBiRh
_chemical_formula_sum   'Sn3 Bi3 Rh3'
_cell_volume   239.6
_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
  Sn  Sn0  3  0.0  0.0  0.58  1.0
  Bi  Bi1  3  0.0  0.0  0.29  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0

Sn Bi Rh
Sn Bi Rh 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 
RhSnBi is half-Heusler structured and crystallizes in the trigonal R3m space group. Rh(1) is bonded to three equivalent Sn(1) and four equivalent Bi(1) atoms to form distorted RhSn3Bi4 hexagonal pyramids that share corners with six equivalent Bi(1)Sn4Rh4 hexagonal bipyramids, corners with four equivalent Sn(1)Bi4Rh3 hexagonal pyramids, corners with six equivalent Rh(1)Sn3Bi4 hexagonal pyramids, edges with three equivalent Bi(1)Sn4Rh4 hexagonal bipyramids, edges with six equivalent Rh(1)Sn3Bi4 hexagonal pyramids, and edges with six equivalent Sn(1)Bi4Rh3 hexagonal pyramids. All Rh(1)-Sn(1) bond lengths are 2.97 Å. There are three shorter (2.84 Å) and one longer (3.45 Å) Rh(1)-Bi(1) bond length. Sn(1) is bonded to three equivalent Rh(1) and four equivalent Bi(1) atoms to form distorted SnBi4Rh3 hexagonal pyramids that share corners with six equivalent Bi(1)Sn4Rh4 hexagonal bipyramids, corners with four equivalent Rh(1)Sn3Bi4 hexagonal pyramids, corners with six equivalent Sn(1)Bi4Rh3 hexagonal pyramids, edges with three equivalent Bi(1)Sn4Rh4 hexagonal bipyramids, edges with six equivalent Rh(1)Sn3Bi4 hexagonal pyramids, and edges with six equivalent Sn(1)Bi4Rh3 hexagonal pyramids. There are three shorter (2.84 Å) and one longer (3.45 Å) Sn(1)-Bi(1) bond length. Bi(1) is bonded to four equivalent Rh(1) and four equivalent Sn(1) atoms to form distorted BiSn4Rh4 hexagonal bipyramids that share corners with six equivalent Rh(1)Sn3Bi4 hexagonal pyramids, corners with six equivalent Sn(1)Bi4Rh3 hexagonal pyramids, edges with twelve equivalent Bi(1)Sn4Rh4 hexagonal bipyramids, edges with three equivalent Rh(1)Sn3Bi4 hexagonal pyramids, and edges with three equivalent Sn(1)Bi4Rh3 hexagonal pyramids.