data_Ag2BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   145.73
_cell_angle_beta   115.74
_cell_angle_gamma   74.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiB
_chemical_formula_sum   'Ag2 Bi1 B1'
_cell_volume   78.82
_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
  Ag  Ag0  1  0.59  0.0  0.57  1.0
  Ag  Ag1  1  0.0  0.88  0.72  1.0
  Bi  Bi3  1  0.0  0.0  0.3  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_Ag2BiB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   64.26
_cell_angle_beta   72.86
_cell_angle_gamma   72.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiB
_chemical_formula_sum   'Ag2 Bi1 B1'
_cell_volume   78.82
_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
  Ag  Ag0  1  0.72  0.0  0.15  1.0
  Ag  Ag1  1  0.98  0.59  0.43  1.0
  Bi  Bi2  1  0.3  -0.0  0.7  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ag Ag Bi B
Ag Ag Bi B 0 1 + - o 0 3 + o + 1 3 o + + 2 3 o o o 
Ag2BBi crystallizes in the triclinic P1 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to one Ag(2), two equivalent Ag(1), one B(1), and two equivalent Bi(1) atoms. The Ag(1)-Ag(2) bond length is 2.12 Å. Both Ag(1)-Ag(1) bond lengths are 3.19 Å. The Ag(1)-B(1) bond length is 2.40 Å. There is one shorter (2.90 Å) and one longer (3.14 Å) Ag(1)-Bi(1) bond length. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Ag(1) and one B(1) atom. The Ag(2)-B(1) bond length is 1.01 Å. B(1) is bonded in a 1-coordinate geometry to one Ag(1), one Ag(2), and one Bi(1) atom. The B(1)-Bi(1) bond length is 1.60 Å. Bi(1) is bonded in a distorted single-bond geometry to two equivalent Ag(1) and one B(1) atom.