data_CoAgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   3.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgB
_chemical_formula_sum   'Co1 Ag1 B1'
_cell_volume   41.49
_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
  Co  Co2  1  0.75  0.75  0.75  1.0
  Ag  Ag0  1  0.37  0.37  0.37  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_CoAgB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoAgB
_chemical_formula_sum   'Co3 Ag3 B3'
_cell_volume   124.46
_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
  Co  Co0  3  0.0  0.0  0.25  1.0
  Ag  Ag1  3  0.0  0.0  0.63  1.0
  B  B2  3  0.0  0.0  0.0  1.0

Co Ag B
CoAgB is alpha boron-derived structured and crystallizes in the trigonal R3m space group. Co(1) is bonded to three equivalent Ag(1) and four equivalent B(1) atoms to form distorted CoAg3B4 hexagonal pyramids that share corners with three equivalent B(1)Co4Ag3 hexagonal pyramids, corners with six equivalent Co(1)Ag3B4 hexagonal pyramids, edges with three equivalent B(1)Co4Ag3 hexagonal pyramids, and edges with six equivalent Co(1)Ag3B4 hexagonal pyramids. All Co(1)-Ag(1) bond lengths are 2.28 Å. There are three shorter (2.37 Å) and one longer (2.40 Å) Co(1)-B(1) bond length. Ag(1) is bonded in a hexagonal planar geometry to three equivalent Co(1) and three equivalent B(1) atoms. All Ag(1)-B(1) bond lengths are 2.28 Å. B(1) is bonded to four equivalent Co(1) and three equivalent Ag(1) atoms to form distorted BCo4Ag3 hexagonal pyramids that share corners with three equivalent Co(1)Ag3B4 hexagonal pyramids, corners with six equivalent B(1)Co4Ag3 hexagonal pyramids, edges with three equivalent Co(1)Ag3B4 hexagonal pyramids, and edges with six equivalent B(1)Co4Ag3 hexagonal pyramids.