data_SiAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgBi2
_chemical_formula_sum   'Si1 Ag1 Bi2'
_cell_volume   100.8
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.85  0.85  0.85  1.0
  Bi  Bi1  1  0.54  0.54  0.54  1.0
  Bi  Bi2  1  0.69  0.69  0.69  1.0

data_SiAgBi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiAgBi2
_chemical_formula_sum   'Si3 Ag3 Bi6'
_cell_volume   302.4
_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
  Si  Si0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.15  1.0
  Bi  Bi2  3  0.0  0.0  0.31  1.0
  Bi  Bi3  3  0.0  0.0  0.46  1.0

Si Ag Bi Bi
Si Ag Bi Bi 0 1 - - - 1 3 o o o 2 3 o o o 
AgSiBi2 crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted linear geometry to one Si(1), one Bi(2), and three equivalent Bi(1) atoms. The Ag(1)-Si(1) bond length is 1.96 Å. The Ag(1)-Bi(2) bond length is 1.96 Å. All Ag(1)-Bi(1) bond lengths are 3.04 Å. Si(1) is bonded to one Ag(1) and three equivalent Bi(2) atoms to form distorted SiAgBi3 trigonal pyramids that share  a cornercorner with one Bi(2)Si3AgBi trigonal bipyramid, corners with six equivalent Si(1)AgBi3 trigonal pyramids, and edges with three equivalent Bi(1)Ag3Bi trigonal pyramids. All Si(1)-Bi(2) bond lengths are 3.04 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent Ag(1) and one Bi(2) atom to form distorted BiAg3Bi trigonal pyramids that share corners with three equivalent Bi(2)Si3AgBi trigonal bipyramids, corners with six equivalent Bi(1)Ag3Bi trigonal pyramids, and edges with three equivalent Si(1)AgBi3 trigonal pyramids. The Bi(1)-Bi(2) bond length is 1.96 Å. In the second Bi site, Bi(2) is bonded to one Ag(1), three equivalent Si(1), and one Bi(1) atom to form distorted BiSi3AgBi trigonal bipyramids that share corners with six equivalent Bi(2)Si3AgBi trigonal bipyramids,  a cornercorner with one Si(1)AgBi3 trigonal pyramid, and corners with three equivalent Bi(1)Ag3Bi trigonal pyramids.