data_Al2CdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   2.95
_cell_angle_alpha   101.22
_cell_angle_beta   101.22
_cell_angle_gamma   115.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdGe
_chemical_formula_sum   'Al2 Cd1 Ge1'
_cell_volume   77.65
_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
  Al  Al0  1  0.95  0.37  0.37  1.0
  Al  Al1  1  0.95  0.63  0.37  1.0
  Cd  Cd2  1  0.98  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

data_Al2CdGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   115.58
_cell_angle_beta   101.22
_cell_angle_gamma   101.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdGe
_chemical_formula_sum   'Al2 Cd1 Ge1'
_cell_volume   77.65
_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
  Al  Al0  1  0.37  0.95  0.37  1.0
  Al  Al1  1  0.37  0.95  0.63  1.0
  Cd  Cd2  1  0.0  0.98  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Al Al Cd Ge
Al Al Cd Ge 0 1 o o o 2 3 + o o 