data_CaCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuGe2
_chemical_formula_sum   'Ca1 Cu1 Ge2'
_cell_volume   75.18
_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
  Cu  Cu1  1  0.11  0.11  0.0  1.0
  Ge  Ge2  1  0.11  0.0  0.11  1.0
  Ge  Ge3  1  0.0  0.11  0.11  1.0

data_CaCuGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaCuGe2
_chemical_formula_sum   'Ca2 Cu2 Ge4'
_cell_volume   150.36
_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
  Cu  Cu1  2  0.11  0.0  0.0  1.0
  Ge  Ge2  4  0.06  0.06  0.11  1.0

Ca Cu Ge Ge
CaCuGe2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaCuGe2 clusters. Ca(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Ge(1) atoms. The Ca(1)-Cu(1) bond length is 0.66 Å. Both Ca(1)-Ge(1) bond lengths are 0.66 Å. Cu(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Ge(1) atoms. Both Cu(1)-Ge(1) bond lengths are 0.66 Å. Ge(1) is bonded in a 3-coordinate geometry to one Ca(1), one Cu(1), and one Ge(1) atom. The Ge(1)-Ge(1) bond length is 0.66 Å.