data_Ca2CdTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.4
_cell_length_b   10.4
_cell_length_c   10.4
_cell_angle_alpha   18.54
_cell_angle_beta   18.54
_cell_angle_gamma   18.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdTc
_chemical_formula_sum   'Ca2 Cd1 Tc1'
_cell_volume   99.29
_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  0.98  1.0
  Ca  Ca1  1  0.0  0.0  0.67  1.0
  Cd  Cd2  1  0.0  0.0  0.32  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Ca2CdTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   3.35
_cell_length_c   10.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2CdTc
_chemical_formula_sum   'Ca4 Cd2 Tc2'
_cell_volume   198.58
_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  0.02  1.0
  Ca  Ca1  2  0.0  0.0  0.33  1.0
  Cd  Cd2  2  0.0  0.0  0.68  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

Ca Ca Cd Tc
Ca2TcCd crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Ca(2) and one Tc(1) atom. The Ca(1)-Ca(2) bond length is 3.22 Å. The Ca(1)-Tc(1) bond length is 0.21 Å. In the second Ca site, Ca(2) is bonded to one Ca(1), six equivalent Ca(2), and one Cd(1) atom to form distorted CaCa7Cd hexagonal bipyramids that share corners with six equivalent Ca(2)Ca7Cd hexagonal bipyramids, edges with six equivalent Cd(1)CaCd6Tc hexagonal bipyramids, and edges with twelve equivalent Ca(2)Ca7Cd hexagonal bipyramids. All Ca(2)-Ca(2) bond lengths are 3.35 Å. The Ca(2)-Cd(1) bond length is 3.59 Å. Tc(1) is bonded in a single-bond geometry to one Ca(1) and one Cd(1) atom. The Tc(1)-Cd(1) bond length is 3.38 Å. Cd(1) is bonded to one Ca(2), one Tc(1), and six equivalent Cd(1) atoms to form distorted CdCaCd6Tc hexagonal bipyramids that share corners with six equivalent Cd(1)CaCd6Tc hexagonal bipyramids, edges with six equivalent Ca(2)Ca7Cd hexagonal bipyramids, and edges with twelve equivalent Cd(1)CaCd6Tc hexagonal bipyramids. All Cd(1)-Cd(1) bond lengths are 3.35 Å.