data_HfAgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.73
_cell_length_c   2.9
_cell_angle_alpha   75.68
_cell_angle_beta   75.11
_cell_angle_gamma   29.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgB
_chemical_formula_sum   'Hf1 Ag1 B1'
_cell_volume   44.94
_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
  Hf  Hf2  1  0.03  0.07  0.47  1.0
  Ag  Ag0  1  0.03  0.07  0.47  1.0
  B  B1  1  0.03  0.07  0.52  1.0

data_HfAgB
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.9
_cell_length_b   10.72
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   HfAgB
_chemical_formula_sum   'Hf2 Ag2 B2'
_cell_volume   89.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Hf  Hf0  2  0.0  0.5  0.49  1.0
  Ag  Ag1  2  0.0  0.5  0.49  1.0
  B  B2  2  0.0  0.5  0.54  1.0

Hf Ag B 0 1 o o o 0 2 o o o 1 2 o o o 
HfAgB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfAgB clusters. Hf(1) is bonded in a single-bond geometry to one Ag(1) atom. The Hf(1)-Ag(1) bond length is 0.00 Å. Ag(1) is bonded in a linear geometry to one Hf(1) and one B(1) atom. The Ag(1)-B(1) bond length is 0.15 Å. B(1) is bonded in a distorted single-bond geometry to one Ag(1) atom.