data_CaTcPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcPb2
_chemical_formula_sum   'Ca1 Tc1 Pb2'
_cell_volume   102.43
_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  0.48  1.0
  Tc  Tc3  1  0.83  0.83  0.37  1.0
  Pb  Pb1  1  0.83  0.83  0.2  1.0
  Pb  Pb2  1  0.0  0.0  0.38  1.0

data_CaTcPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTcPb2
_chemical_formula_sum   'Ca2 Tc2 Pb4'
_cell_volume   204.87
_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  0.48  1.0
  Tc  Tc1  2  0.33  0.5  0.37  1.0
  Pb  Pb2  2  0.0  0.0  0.38  1.0
  Pb  Pb3  2  0.33  0.5  0.2  1.0

Ca Tc Pb Pb
Ca Tc Pb Pb 0 3 o o o 1 3 + + o 1 2 o o o 
CaTcPb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTcPb2 clusters. Ca(1) is bonded in a single-bond geometry to one Tc(1) and one Pb(2) atom. The Ca(1)-Tc(1) bond length is 1.21 Å. The Ca(1)-Pb(2) bond length is 0.82 Å. Tc(1) is bonded in a 3-coordinate geometry to one Ca(1), one Pb(1), and one Pb(2) atom. The Tc(1)-Pb(1) bond length is 1.28 Å. The Tc(1)-Pb(2) bond length is 0.87 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a single-bond geometry to one Tc(1) atom. In the second Pb site, Pb(2) is bonded in an L-shaped geometry to one Ca(1) and one Tc(1) atom.