data_CaBMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   148.35
_cell_angle_beta   148.35
_cell_angle_gamma   45.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBMo
_chemical_formula_sum   'Ca1 B1 Mo1'
_cell_volume   52.1
_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  Ca1  1  0.0  0.0  0.17  1.0
  B  B0  1  0.0  0.0  0.79  1.0
  Mo  Mo2  1  0.0  0.0  0.25  1.0

data_CaBMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaBMo
_chemical_formula_sum   'Ca2 B2 Mo2'
_cell_volume   104.21
_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  0.17  0.0  0.17  1.0
  B  B1  2  0.29  0.5  0.79  1.0
  Mo  Mo2  2  0.25  0.0  0.25  1.0

Ca B Mo
CaMoB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaMoB clusters. Ca(1) is bonded in a single-bond geometry to one Mo(1) and one B(1) atom. The Ca(1)-Mo(1) bond length is 0.42 Å. The Ca(1)-B(1) bond length is 2.21 Å. Mo(1) is bonded in a single-bond geometry to one Ca(1) atom. B(1) is bonded in a single-bond geometry to one Ca(1) atom.