data_AgBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi3
_chemical_formula_sum   'Ag2 Bi6'
_cell_volume   232.78
_cell_formula_units_Z   2
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
  Ag  Ag0  1  0.08  0.08  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.54  0.0  0.08  1.0
  Bi  Bi3  1  0.61  0.0  0.08  1.0
  Bi  Bi4  1  0.08  0.54  0.0  1.0
  Bi  Bi5  1  0.08  0.61  0.0  1.0
  Bi  Bi6  1  0.0  0.08  0.61  1.0
  Bi  Bi7  1  0.0  0.08  0.54  1.0

data_AgBi3
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   10.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   AgBi3
_chemical_formula_sum   'Ag6 Bi18'
_cell_volume   698.33
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Ag  Ag0  3  0.0  0.0  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.08  1.0
  Bi  Bi2  9  0.0  0.46  0.54  1.0
  Bi  Bi3  9  0.05  0.49  0.56  1.0

Ag Ag Bi Bi Bi Bi Bi Bi
Ag Ag Bi Bi Bi Bi Bi Bi 0 1 o o o 2 3 o o o 4 5 o o o 6 7 o o o 
AgBi3 crystallizes in the trigonal R3 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted single-bond geometry to one Ag(2) and three equivalent Bi(1) atoms. The Ag(1)-Ag(2) bond length is 0.81 Å. All Ag(1)-Bi(1) bond lengths are 2.88 Å. In the second Ag site, Ag(2) is bonded in a distorted single-bond geometry to one Ag(1) and three equivalent Bi(2) atoms. All Ag(2)-Bi(2) bond lengths are 2.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a linear geometry to one Ag(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 0.47 Å. In the second Bi site, Bi(2) is bonded in a linear geometry to one Ag(2) and one Bi(1) atom.