data_SnBiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiIr
_chemical_formula_sum   'Sn1 Bi1 Ir1'
_cell_volume   71.68
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.3  0.3  0.3  1.0
  Ir  Ir1  1  0.65  0.65  0.65  1.0

data_SnBiIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnBiIr
_chemical_formula_sum   'Sn3 Bi3 Ir3'
_cell_volume   215.04
_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  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.7  1.0
  Ir  Ir2  3  0.0  0.0  0.35  1.0

Sn Bi Ir
IrSnBi crystallizes in the trigonal R3m space group. Ir(1) is bonded in a hexagonal planar geometry to three equivalent Sn(1) and three equivalent Bi(1) atoms. All Ir(1)-Sn(1) bond lengths are 2.70 Å. All Ir(1)-Bi(1) bond lengths are 2.70 Å. Sn(1) is bonded to three equivalent Ir(1) and four equivalent Bi(1) atoms to form SnBi4Ir3 hexagonal pyramids that share corners with three equivalent Bi(1)Sn4Ir3 hexagonal pyramids, corners with six equivalent Sn(1)Bi4Ir3 hexagonal pyramids, edges with three equivalent Bi(1)Sn4Ir3 hexagonal pyramids, and edges with six equivalent Sn(1)Bi4Ir3 hexagonal pyramids. There are three shorter (2.72 Å) and one longer (3.39 Å) Sn(1)-Bi(1) bond length. Bi(1) is bonded to three equivalent Ir(1) and four equivalent Sn(1) atoms to form BiSn4Ir3 hexagonal pyramids that share corners with three equivalent Sn(1)Bi4Ir3 hexagonal pyramids, corners with six equivalent Bi(1)Sn4Ir3 hexagonal pyramids, edges with three equivalent Sn(1)Bi4Ir3 hexagonal pyramids, and edges with six equivalent Bi(1)Sn4Ir3 hexagonal pyramids.