data_CaTcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   147.81
_cell_angle_beta   147.81
_cell_angle_gamma   46.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcB
_chemical_formula_sum   'Ca1 Tc1 B1'
_cell_volume   48.19
_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  0.35  1.0
  Tc  Tc2  1  0.0  0.0  0.15  1.0
  B  B0  1  0.0  0.0  0.7  1.0

data_CaTcB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   113.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTcB
_chemical_formula_sum   'Ca2 Tc2 B2'
_cell_volume   96.39
_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  0.35  0.0  0.35  1.0
  Tc  Tc1  2  0.15  0.0  0.15  1.0
  B  B2  2  0.2  0.5  0.7  1.0

Ca Tc B
Ca Tc B 0 1 o o o 0 2 o o o 
CaTcB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTcB clusters. Ca(1) is bonded in a distorted linear geometry to one Tc(1) and one B(1) atom. The Ca(1)-Tc(1) bond length is 1.09 Å. The Ca(1)-B(1) bond length is 1.97 Å. Tc(1) is bonded in a single-bond geometry to one Ca(1) atom. B(1) is bonded in a distorted single-bond geometry to one Ca(1) atom.