data_Zn2SnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn2 Sn1 Bi1'
_cell_volume   98.55
_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
  Zn  Zn2  1  0.83  0.83  0.83  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.67  0.67  0.67  1.0
  Bi  Bi0  1  0.5  0.5  0.5  1.0

data_Zn2SnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn2SnBi
_chemical_formula_sum   'Zn6 Sn3 Bi3'
_cell_volume   295.66
_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
  Zn  Zn0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.17  1.0
  Sn  Sn2  3  0.0  0.0  0.33  1.0
  Bi  Bi3  3  0.0  0.0  0.5  1.0

Zn Zn Sn Bi
Zn2SnBi crystallizes in the trigonal R3m space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Zn(2), one Sn(1), and three equivalent Bi(1) atoms to form distorted ZnZnSnBi3 trigonal bipyramids that share corners with six equivalent Zn(1)ZnSnBi3 trigonal bipyramids,  a cornercorner with one Bi(1)Zn3Sn trigonal pyramid, corners with three equivalent Zn(2)ZnSn3 trigonal pyramids, and edges with three equivalent Sn(1)Zn4Bi trigonal bipyramids. The Zn(1)-Zn(2) bond length is 2.12 Å. The Zn(1)-Sn(1) bond length is 2.12 Å. All Zn(1)-Bi(1) bond lengths are 2.99 Å. In the second Zn site, Zn(2) is bonded to one Zn(1) and three equivalent Sn(1) atoms to form ZnZnSn3 trigonal pyramids that share  a cornercorner with one Sn(1)Zn4Bi trigonal bipyramid, corners with three equivalent Zn(1)ZnSnBi3 trigonal bipyramids, corners with six equivalent Zn(2)ZnSn3 trigonal pyramids, and edges with three equivalent Bi(1)Zn3Sn trigonal pyramids. All Zn(2)-Sn(1) bond lengths are 2.99 Å. Sn(1) is bonded to one Zn(1), three equivalent Zn(2), and one Bi(1) atom to form distorted SnZn4Bi trigonal bipyramids that share corners with six equivalent Sn(1)Zn4Bi trigonal bipyramids,  a cornercorner with one Zn(2)ZnSn3 trigonal pyramid, corners with three equivalent Bi(1)Zn3Sn trigonal pyramids, and edges with three equivalent Zn(1)ZnSnBi3 trigonal bipyramids. The Sn(1)-Bi(1) bond length is 2.12 Å. Bi(1) is bonded to three equivalent Zn(1) and one Sn(1) atom to form BiZn3Sn trigonal pyramids that share  a cornercorner with one Zn(1)ZnSnBi3 trigonal bipyramid, corners with three equivalent Sn(1)Zn4Bi trigonal bipyramids, corners with six equivalent Bi(1)Zn3Sn trigonal pyramids, and edges with three equivalent Zn(2)ZnSn3 trigonal pyramids.