data_CaTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcSb2
_chemical_formula_sum   'Ca1 Tc1 Sb2'
_cell_volume   88.39
_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  Ca0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.92  1.0
  Sb  Sb1  1  0.68  0.68  0.32  1.0
  Sb  Sb2  1  0.68  0.68  0.53  1.0

data_CaTcSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTcSb2
_chemical_formula_sum   'Ca2 Tc2 Sb4'
_cell_volume   176.78
_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  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.92  1.0
  Sb  Sb2  2  0.18  0.5  0.32  1.0
  Sb  Sb3  2  0.18  0.5  0.53  1.0

Ca Tc Sb Sb
CaTcSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTcSb2 clusters. Ca(1) is bonded in a single-bond geometry to one Tc(1) and one Sb(1) atom. The Ca(1)-Tc(1) bond length is 0.61 Å. The Ca(1)-Sb(1) bond length is 2.92 Å. Tc(1) is bonded in a single-bond geometry to one Ca(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.65 Å. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Sb(1) atom.