data_Cd3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   152.87
_cell_angle_beta   58.25
_cell_angle_gamma   129.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Ge
_chemical_formula_sum   'Cd3 Ge1'
_cell_volume   89.55
_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
  Cd  Cd0  1  0.49  0.25  0.69  1.0
  Cd  Cd1  1  0.49  0.75  0.69  1.0
  Cd  Cd2  1  0.0  0.55  0.84  1.0
  Ge  Ge3  1  0.0  0.0  0.82  1.0

data_Cd3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.42
_cell_length_c   6.35
_cell_angle_alpha   115.24
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Ge
_chemical_formula_sum   'Cd3 Ge1'
_cell_volume   89.55
_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
  Cd  Cd0  1  0.69  0.43  0.92  1.0
  Cd  Cd1  1  0.69  0.94  0.43  1.0
  Cd  Cd2  1  0.84  0.29  0.29  1.0
  Ge  Ge3  1  0.82  0.82  0.82  1.0

Cd Cd Cd Ge
Cd3Ge crystallizes in the triclinic P1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted single-bond geometry to one Cd(3) and two equivalent Ge(1) atoms. The Cd(1)-Cd(3) bond length is 2.70 Å. There is one shorter (2.50 Å) and one longer (3.15 Å) Cd(1)-Ge(1) bond length. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to three equivalent Cd(3) and one Ge(1) atom. There are a spread of Cd(2)-Cd(3) bond distances ranging from 2.49-3.34 Å. The Cd(2)-Ge(1) bond length is 2.75 Å. In the third Cd site, Cd(3) is bonded in a 8-coordinate geometry to one Cd(1), two equivalent Cd(3), three equivalent Cd(2), and two equivalent Ge(1) atoms. Both Cd(3)-Cd(3) bond lengths are 2.98 Å. There is one shorter (3.00 Å) and one longer (3.36 Å) Cd(3)-Ge(1) bond length. Ge(1) is bonded in a 7-coordinate geometry to one Cd(2), two equivalent Cd(1), two equivalent Cd(3), and two equivalent Ge(1) atoms. Both Ge(1)-Ge(1) bond lengths are 2.98 Å.