data_CaTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   20.69
_cell_angle_beta   20.69
_cell_angle_gamma   20.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2Tc
_chemical_formula_sum   'Ca1 Tl2 Tc1'
_cell_volume   96.25
_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
  Tl  Tl2  1  0.0  0.0  0.36  1.0
  Tl  Tl3  1  0.0  0.0  0.77  1.0
  Tc  Tc1  1  0.0  0.0  0.06  1.0

data_CaTl2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   101.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTl2Tc
_chemical_formula_sum   'Ca2 Tl4 Tc2'
_cell_volume   192.5
_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
  Tl  Tl1  2  -0.0  0.0  0.23  1.0
  Tl  Tl2  2  0.0  0.0  0.64  1.0
  Tc  Tc3  2  -0.0  0.0  0.94  1.0

Ca Tl Tl Tc
Ca Tl Tl Tc 0 3 o o o 0 1 o o o 0 2 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 
CaTcTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTcTl2 clusters. Ca(1) is bonded in a single-bond geometry to one Tc(1) and one Tl(2) atom. The Ca(1)-Tc(1) bond length is 0.61 Å. The Ca(1)-Tl(2) bond length is 2.21 Å. Tc(1) is bonded in a single-bond geometry to one Ca(1) and one Tl(1) atom. The Tc(1)-Tl(1) bond length is 2.83 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Tc(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Ca(1) atom.