data_SnBiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnBiW
_chemical_formula_sum   'Sn1 Bi1 W1'
_cell_volume   78.04
_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  Sn1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.39  0.39  0.39  1.0
  W  W2  1  0.7  0.7  0.7  1.0

data_SnBiW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SnBiW
_chemical_formula_sum   'Sn3 Bi3 W3'
_cell_volume   234.13
_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  0.61  1.0
  W  W2  3  0.0  0.0  0.3  1.0

Sn Bi W
WSnBi is half-Heusler structured and crystallizes in the trigonal R3m space group. W(1) is bonded to four equivalent Sn(1) and four equivalent Bi(1) atoms to form WSn4Bi4 hexagonal bipyramids that share corners with six equivalent Sn(1)Bi3W4 hexagonal pyramids, corners with six equivalent Bi(1)Sn3W4 hexagonal pyramids, edges with twelve equivalent W(1)Sn4Bi4 hexagonal bipyramids, edges with three equivalent Sn(1)Bi3W4 hexagonal pyramids, and edges with three equivalent Bi(1)Sn3W4 hexagonal pyramids. There are three shorter (2.79 Å) and one longer (3.57 Å) W(1)-Sn(1) bond length. There are three shorter (2.79 Å) and one longer (3.57 Å) W(1)-Bi(1) bond length. Sn(1) is bonded to four equivalent W(1) and three equivalent Bi(1) atoms to form distorted SnBi3W4 hexagonal pyramids that share corners with six equivalent W(1)Sn4Bi4 hexagonal bipyramids, corners with four equivalent Bi(1)Sn3W4 hexagonal pyramids, corners with six equivalent Sn(1)Bi3W4 hexagonal pyramids, edges with three equivalent W(1)Sn4Bi4 hexagonal bipyramids, edges with six equivalent Sn(1)Bi3W4 hexagonal pyramids, and edges with six equivalent Bi(1)Sn3W4 hexagonal pyramids. All Sn(1)-Bi(1) bond lengths are 2.85 Å. Bi(1) is bonded to four equivalent W(1) and three equivalent Sn(1) atoms to form distorted BiSn3W4 hexagonal pyramids that share corners with six equivalent W(1)Sn4Bi4 hexagonal bipyramids, corners with four equivalent Sn(1)Bi3W4 hexagonal pyramids, corners with six equivalent Bi(1)Sn3W4 hexagonal pyramids, edges with three equivalent W(1)Sn4Bi4 hexagonal bipyramids, edges with six equivalent Sn(1)Bi3W4 hexagonal pyramids, and edges with six equivalent Bi(1)Sn3W4 hexagonal pyramids.