data_CdGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.65
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe3
_chemical_formula_sum   'Cd4 Ge12'
_cell_volume   333.22
_cell_formula_units_Z   4
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  0.01  0.74  0.57  1.0
  Cd  Cd1  1  0.8  0.91  0.72  1.0
  Cd  Cd2  1  0.82  0.74  0.99  1.0
  Cd  Cd3  1  0.62  0.91  0.14  1.0
  Ge  Ge4  1  0.4  0.74  0.68  1.0
  Ge  Ge5  1  0.04  0.91  0.53  1.0
  Ge  Ge6  1  0.59  0.74  0.18  1.0
  Ge  Ge7  1  0.22  0.91  0.03  1.0
  Ge  Ge8  1  0.02  0.2  0.71  1.0
  Ge  Ge9  1  0.79  0.45  0.85  1.0
  Ge  Ge10  1  0.84  0.63  0.86  1.0
  Ge  Ge11  1  0.61  0.02  0.0  1.0
  Ge  Ge12  1  0.61  0.45  0.0  1.0
  Ge  Ge13  1  0.84  0.2  0.86  1.0
  Ge  Ge14  1  0.79  0.02  0.85  1.0
  Ge  Ge15  1  0.02  0.63  0.71  1.0

data_CdGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.71
_cell_length_b   7.63
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdGe3
_chemical_formula_sum   'Cd4 Ge12'
_cell_volume   333.22
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.7  0.41  1.0
  Cd  Cd1  2  0.36  0.49  0.59  1.0
  Ge  Ge2  2  0.18  0.72  0.59  1.0
  Ge  Ge3  2  0.32  0.09  0.41  1.0
  Ge  Ge4  2  0.35  0.71  0.87  1.0
  Ge  Ge5  2  0.35  0.71  0.3  1.0
  Ge  Ge6  2  0.5  0.48  0.13  1.0
  Ge  Ge7  2  0.5  0.48  0.7  1.0

Cd Cd Cd Cd Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Cd Cd Cd Cd Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 15 o o o 0 5 o o o 0 4 o o o 0 7 o o + 0 7 o o o 1 14 o + o 1 4 o o o 1 7 + o + 2 10 o o o 2 4 o o o 2 7 + o + 3 6 o o o 3 11 o + o 3 4 o o o 3 4 o o - 3 7 o o o 4 15 o o o 4 5 o o o 4 7 o o + 4 12 o o + 4 10 o o o 4 6 o o o 4 6 o o + 4 11 o + + 5 7 o o + 5 7 o o o 6 7 o o o 7 15 o o - 7 8 o + - 7 14 - + - 7 11 o + o 8 13 - o o 9 12 o o + 9 10 o o o 13 14 o o o 