data_CdGeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   151.7
_cell_angle_beta   143.43
_cell_angle_gamma   46.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeRh2
_chemical_formula_sum   'Cd1 Ge1 Rh2'
_cell_volume   68.19
_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  0.96  0.54  1.0
  Ge  Ge1  1  0.0  0.0  0.96  1.0
  Rh  Rh2  1  0.0  0.96  0.12  1.0
  Rh  Rh3  1  0.0  0.0  0.54  1.0

data_CdGeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.91
_cell_length_c   6.23
_cell_angle_alpha   108.28
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeRh2
_chemical_formula_sum   'Cd1 Ge1 Rh2'
_cell_volume   68.19
_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  0.46  0.42  0.42  1.0
  Ge  Ge1  1  0.04  0.04  0.04  1.0
  Rh  Rh2  1  0.46  0.46  0.46  1.0
  Rh  Rh3  1  0.88  0.84  0.84  1.0

Cd Ge Rh Rh
Cd Ge Rh Rh 0 3 o + o 1 2 o - + 