data_Ca2TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.8
_cell_length_c   9.8
_cell_angle_alpha   22.05
_cell_angle_beta   22.05
_cell_angle_gamma   22.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TlGe
_chemical_formula_sum   'Ca2 Tl1 Ge1'
_cell_volume   116.38
_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  0.41  1.0
  Ca  Ca1  1  0.0  0.0  0.27  1.0
  Tl  Tl3  1  0.0  0.0  0.34  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_Ca2TlGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   3.75
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2TlGe
_chemical_formula_sum   'Ca4 Tl2 Ge2'
_cell_volume   232.75
_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  0.59  1.0
  Ca  Ca1  2  0.0  0.0  0.73  1.0
  Tl  Tl2  2  0.0  0.0  0.66  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Ca Ca Tl Ge
Ca Ca Tl Ge 0 2 o o o 1 2 o o o 1 3 o o o 
Ca2TlGe is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2TlGe clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ca(1)-Tl(1) bond length is 0.65 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Tl(1) and one Ge(1) atom. The Ca(2)-Tl(1) bond length is 0.65 Å. The Ca(2)-Ge(1) bond length is 2.69 Å. Tl(1) is bonded in a linear geometry to one Ca(1) and one Ca(2) atom. Ge(1) is bonded in a single-bond geometry to one Ca(2) atom.