data_AlCd2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.26
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Ag
_chemical_formula_sum   'Al1 Cd2 Ag1'
_cell_volume   78.87
_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  0.06  0.0  0.37  1.0
  Cd  Cd2  1  0.04  0.0  0.04  1.0
  Cd  Cd3  1  0.7  0.0  0.85  1.0
  Ag  Ag0  1  0.32  0.0  0.52  1.0

data_AlCd2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.08
_cell_length_c   5.26
_cell_angle_alpha   99.5
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Ag
_chemical_formula_sum   'Al1 Cd2 Ag1'
_cell_volume   78.87
_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  0.94  0.63  1.0
  Cd  Cd1  1  0.0  0.3  0.15  1.0
  Cd  Cd2  1  0.0  0.96  0.96  1.0
  Ag  Ag3  1  0.0  0.68  0.48  1.0

Al Cd Cd Ag