data_Cd2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeGe
_chemical_formula_sum   'Cd2 Fe1 Ge1'
_cell_volume   75.31
_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  0.0  0.0  0.03  1.0
  Cd  Cd1  1  0.84  0.0  0.47  1.0
  Fe  Fe2  1  0.0  0.0  0.4  1.0
  Ge  Ge3  1  0.84  0.0  0.73  1.0

data_Cd2FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2FeGe
_chemical_formula_sum   'Cd2 Fe1 Ge1'
_cell_volume   75.31
_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  0.0  0.0  0.03  1.0
  Cd  Cd1  1  0.84  0.0  0.47  1.0
  Fe  Fe2  1  0.0  0.0  0.4  1.0
  Ge  Ge3  1  0.84  0.0  0.73  1.0

Cd Cd Fe Ge
FeCd2Ge crystallizes in the triclinic P1 space group. Fe(1) is bonded in a single-bond geometry to one Cd(1) and one Cd(2) atom. The Fe(1)-Cd(1) bond length is 3.36 Å. The Fe(1)-Cd(2) bond length is 0.75 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Fe(1), four equivalent Cd(1), and one Ge(1) atom to form a mixture of distorted edge and corner-sharing CdCd4FeGe octahedra. The corner-sharing octahedra are not tilted. All Cd(1)-Cd(1) bond lengths are 2.91 Å. The Cd(1)-Ge(1) bond length is 2.82 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Fe(1) and one Ge(1) atom. The Cd(2)-Ge(1) bond length is 2.35 Å. Ge(1) is bonded in a 2-coordinate geometry to one Cd(1) and one Cd(2) atom.