data_Cd2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.47
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InGe
_chemical_formula_sum   'Cd2 In1 Ge1'
_cell_volume   92.27
_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  0.05  0.0  0.09  1.0
  Cd  Cd1  1  0.63  0.24  0.6  1.0
  In  In3  1  0.1  0.24  0.77  1.0
  Ge  Ge2  1  0.82  0.0  0.22  1.0

data_Cd2InGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.47
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InGe
_chemical_formula_sum   'Cd2 In1 Ge1'
_cell_volume   92.27
_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  0.05  0.0  0.09  1.0
  Cd  Cd1  1  0.63  0.24  0.6  1.0
  In  In2  1  0.1  0.24  0.77  1.0
  Ge  Ge3  1  0.82  0.0  0.22  1.0

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