data_CdGaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   5.05
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaGe2
_chemical_formula_sum   'Cd1 Ga1 Ge2'
_cell_volume   80.52
_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  0.55  0.0  0.58  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.53  0.58  1.0
  Ge  Ge3  1  0.55  0.53  0.0  1.0

data_CdGaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.05
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaGe2
_chemical_formula_sum   'Cd1 Ga1 Ge2'
_cell_volume   80.52
_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  0.55  0.0  0.58  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.53  0.58  1.0
  Ge  Ge3  1  0.55  0.53  0.0  1.0

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