data_Al2CdAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   152.71
_cell_angle_beta   129.85
_cell_angle_gamma   58.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdAg
_chemical_formula_sum   'Al2 Cd1 Ag1'
_cell_volume   75.83
_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  Al1  1  0.0  0.55  0.81  1.0
  Al  Al2  1  0.42  0.0  0.44  1.0
  Cd  Cd3  1  0.0  0.0  0.25  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Al2CdAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.09
_cell_length_c   6.01
_cell_angle_alpha   115.07
_cell_angle_beta   103.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdAg
_chemical_formula_sum   'Al2 Cd1 Ag1'
_cell_volume   75.83
_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  0.44  0.02  1.0
  Al  Al1  1  0.45  0.27  0.27  1.0
  Cd  Cd2  1  0.0  0.25  0.25  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

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