data_Cd2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.35
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaGe
_chemical_formula_sum   'Cd2 Ga1 Ge1'
_cell_volume   85.06
_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  0.93  0.0  0.02  1.0
  Cd  Cd1  1  0.44  0.17  0.6  1.0
  Ga  Ga2  1  0.88  0.0  0.26  1.0
  Ge  Ge3  1  0.12  0.17  0.65  1.0

data_Cd2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.35
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaGe
_chemical_formula_sum   'Cd2 Ga1 Ge1'
_cell_volume   85.06
_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  0.44  0.17  0.6  1.0
  Cd  Cd1  1  0.93  0.0  0.02  1.0
  Ga  Ga2  1  0.88  0.0  0.26  1.0
  Ge  Ge3  1  0.12  0.17  0.65  1.0

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