data_AgBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBi2B
_chemical_formula_sum   'Ag1 Bi2 B1'
_cell_volume   95.15
_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  0.44  0.44  0.44  1.0
  Bi  Bi2  1  0.81  0.81  0.81  1.0
  Bi  Bi3  1  0.62  0.62  0.62  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_AgBi2B
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgBi2B
_chemical_formula_sum   'Ag3 Bi6 B3'
_cell_volume   285.45
_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
  Ag  Ag0  3  0.0  0.0  0.56  1.0
  Bi  Bi1  3  0.0  0.0  0.19  1.0
  Bi  Bi2  3  0.0  0.0  0.38  1.0
  B  B3  3  0.0  0.0  -0.0  1.0

Ag Bi Bi B
Ag Bi Bi B 0 3 o o + 0 3 o + o 0 3 + o o 0 1 - o o 0 1 o - o 0 1 o o - 0 2 o o o 1 2 o o o 1 3 + + + 2 3 + + o 2 3 + o + 2 3 o + + 
AgBBi2 crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 4-coordinate geometry to one Bi(2) and three equivalent Bi(1) atoms. The Ag(1)-Bi(2) bond length is 2.36 Å. All Ag(1)-Bi(1) bond lengths are 3.01 Å. B(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The B(1)-Bi(1) bond length is 2.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent Ag(1), one B(1), and one Bi(2) atom to form distorted corner-sharing BiAg3BiB trigonal bipyramids. The Bi(1)-Bi(2) bond length is 2.36 Å. In the second Bi site, Bi(2) is bonded in a distorted linear geometry to one Ag(1) and one Bi(1) atom.