data_Ca2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AgB
_chemical_formula_sum   'Ca2 Ag1 B1'
_cell_volume   90.84
_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
  Ca  Ca2  1  0.67  0.67  0.48  1.0
  Ca  Ca3  1  0.0  0.0  0.58  1.0
  Ag  Ag0  1  0.67  0.67  0.69  1.0
  B  B1  1  0.0  0.0  0.65  1.0

data_Ca2AgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2AgB
_chemical_formula_sum   'Ca4 Ag2 B2'
_cell_volume   181.68
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.58  1.0
  Ca  Ca1  2  0.17  0.5  0.48  1.0
  Ag  Ag2  2  0.17  0.5  0.69  1.0
  B  B3  2  0.0  0.0  0.65  1.0

Ca Ca Ag B
AgCaCaB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AgCa clusters and two CaB clusters. In each AgCa cluster, Ca(1) is bonded in a single-bond geometry to one Ag(1) atom. The Ca(1)-Ag(1) bond length is 1.75 Å. Ag(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. In each CaB cluster, Ca(2) is bonded in a single-bond geometry to one B(1) atom. The Ca(2)-B(1) bond length is 0.56 Å. B(1) is bonded in a single-bond geometry to one Ca(2) atom.