data_CdGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe3
_chemical_formula_sum   'Cd2 Ge6'
_cell_volume   164.45
_cell_formula_units_Z   2
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  0.02  0.74  0.9  1.0
  Cd  Cd1  1  0.0  0.49  0.3  1.0
  Ge  Ge2  1  0.57  0.4  0.9  1.0
  Ge  Ge3  1  0.43  0.4  0.9  1.0
  Ge  Ge4  1  0.0  0.67  0.9  1.0
  Ge  Ge5  1  0.45  0.84  0.3  1.0
  Ge  Ge6  1  0.6  0.84  0.3  1.0
  Ge  Ge7  1  0.02  0.56  0.3  1.0

data_CdGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.2
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdGe3
_chemical_formula_sum   'Cd2 Ge6'
_cell_volume   164.45
_cell_formula_units_Z   2
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  0.2  0.99  0.37  1.0
  Ge  Ge1  2  0.2  0.01  0.45  1.0
  Ge  Ge2  2  0.2  0.44  0.72  1.0
  Ge  Ge3  2  0.2  0.58  0.72  1.0

Cd Cd Ge Ge Ge Ge Ge Ge