data_AlCdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdGe2
_chemical_formula_sum   'Al1 Cd1 Ge2'
_cell_volume   80.01
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.55  1.0
  Ge  Ge2  1  0.94  0.0  0.13  1.0
  Ge  Ge3  1  0.94  0.0  0.98  1.0

data_AlCdGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdGe2
_chemical_formula_sum   'Al1 Cd1 Ge2'
_cell_volume   80.01
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.55  1.0
  Ge  Ge2  1  0.94  0.0  0.13  1.0
  Ge  Ge3  1  0.94  0.0  0.98  1.0

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