data_CaTi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi2Tc
_chemical_formula_sum   'Ca1 Ti2 Tc1'
_cell_volume   73.32
_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
  Ti  Ti2  1  0.3  0.0  0.74  1.0
  Ti  Ti3  1  0.0  0.3  0.74  1.0
  Tc  Tc1  1  0.3  0.3  0.0  1.0

data_CaTi2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTi2Tc
_chemical_formula_sum   'Ca2 Ti4 Tc2'
_cell_volume   146.64
_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
  Ti  Ti1  4  0.15  0.15  0.74  1.0
  Tc  Tc2  2  0.3  0.0  0.0  1.0

Ca Ti Ti Tc
CaTi2Tc crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTi2Tc clusters. Ca(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Tc(1) atom. Both Ca(1)-Ti(1) bond lengths are 1.65 Å. The Ca(1)-Tc(1) bond length is 1.93 Å. Ti(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Tc(1) atom. The Ti(1)-Tc(1) bond length is 1.65 Å. Tc(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ti(1) atoms.