data_CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   138.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe
_chemical_formula_sum   'Cd2 Ge2'
_cell_volume   91.27
_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  0.11  0.17  0.98  1.0
  Cd  Cd1  1  0.11  0.83  0.94  1.0
  Ge  Ge2  1  0.11  0.11  0.98  1.0
  Ge  Ge3  1  0.11  0.89  0.94  1.0

data_CdGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.92
_cell_length_b   4.23
_cell_length_c   5.91
_cell_angle_alpha   110.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdGe
_chemical_formula_sum   'Cd2 Ge2'
_cell_volume   91.27
_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  0.48  0.17  0.17  1.0
  Ge  Ge1  2  0.48  0.11  0.11  1.0

Cd Cd Ge Ge