data_AlCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   131.07
_cell_angle_beta   131.07
_cell_angle_gamma   71.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Ge
_chemical_formula_sum   'Al1 Cd2 Ge1'
_cell_volume   83.3
_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  0.2  0.0  0.15  1.0
  Cd  Cd2  1  0.0  0.0  0.3  1.0
  Ge  Ge3  1  0.0  0.2  0.15  1.0

data_AlCd2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   5.31
_cell_angle_alpha   114.47
_cell_angle_beta   114.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Ge
_chemical_formula_sum   'Al1 Cd2 Ge1'
_cell_volume   83.3
_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  0.15  0.95  0.95  1.0
  Cd  Cd2  1  0.3  0.3  0.3  1.0
  Ge  Ge3  1  0.95  0.15  0.95  1.0

Al Cd Cd Ge